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Sample records for surface energetic properties

  1. Energetic and Spatial Bonding Properties from Angular Distributions of Ultraviolet Photoelectrons: Application to the GaAs(110) Surface

    International Nuclear Information System (INIS)

    Fadley, C.S.; Fadley, C.S.; Van Hove, M.A.

    1997-01-01

    Angle-resolved ultraviolet photoemission spectra are interpreted by combining the energetics and spatial properties of the contributing states. One-step calculations are in excellent agreement with new azimuthal experimental data for GaAs(110). Strong variations caused by the dispersion of the surface bands permit an accurate mapping of the electronic structure. The delocalization of the valence states is discussed analogous to photoelectron diffraction. The spatial origin of the electrons is determined, and found to be strongly energy dependent, with uv excitation probing the bonding region. copyright 1997 The American Physical Society

  2. Liquid surface model for carbon nanotube energetics

    DEFF Research Database (Denmark)

    Solov'yov, Ilia; Mathew, Maneesh; Solov'yov, Andrey V.

    2008-01-01

    an important insight in the energetics and stability of nanotubes of different chirality and might be important for the understanding of nanotube growth process. For the computations we use empirical Brenner and Tersoff potentials and discuss their applicability to the study of carbon nanotubes. From......In the present paper we developed a model for calculating the energy of single-wall carbon nanotubes of arbitrary chirality. This model, which we call as the liquid surface model, predicts the energy of a nanotube with relative error less than 1% once its chirality and the total number of atoms...... the calculated energies we determine the elastic properties of the single-wall carbon nanotubes (Young modulus, curvature constant) and perform a comparison with available experimental measurements and earlier theoretical predictions....

  3. Modelling of energetic molecule-surface interactions

    International Nuclear Information System (INIS)

    Kerford, M.

    2000-09-01

    This thesis contains the results of molecular dynamics simulations of molecule-surface interactions, looking particularly at fullerene molecules and carbon surfaces. Energetic impacts of fullerene molecules on graphite create defect craters. The relationship between the parameters of the impacting molecule and the parameters of the crater axe examined and found to be a function of the energy and velocity of the impacting molecule. Less energetic fullerene molecules can be scattered from a graphite surface and the partitioning of energy after a scattering event is investigated. It is found that a large fraction of the kinetic energy retained after impact is translational energy, with a small fraction of rotational energy and a number of vibrational modes. At impact energies where the surface is not broken and at normal incidence, surface waves axe seen to occur. These waves axe used to develop a method of desorbing molecules from a graphite surface without damage to either the surface or the molecules being desorbed. A number of fullerene molecules are investigated and ways to increase the desorption yield are examined. It is found that this is a successful technique for desorbing large numbers of intact molecules from graphite. This technique could be used for desorbing intact molecules into a gas phase for mass spectrometric analysis. (author)

  4. Mechanisms and energetics of surface atomic processes

    International Nuclear Information System (INIS)

    Tsong, T.T.

    1991-01-01

    The energies involved in various surface atomic processes such as surface diffusion, the binding of small atomic clusters on the surface, the interaction between two adsorbed atoms, the dissociation of an atom from a small cluster or from a surface layer, the binding of kink size atoms or atoms at different adsorption sites to the surface etc., can be derived from an analysis of atomically resolved field ion microscope images and a kinetic energy measurement of low temperature field desorbed ions using the time-of-flight atom-probe field ion microscope. These energies can be used to compare with theories and to understand the transport of atoms on the surface in atomic reconstructions, epitaxial growth of surface layers and crystal growth, adsorption layer superstructure formation, and also why an atomic ordering or atomic reconstruction at the surface is energetically favored. Mechanisms of some of the surface atomic processes are also clarified from these quantitative, atomic resolution studies. In this paper work in this area is bris briefly reviewed

  5. Computational studies on energetic properties of nitrogen-rich ...

    Indian Academy of Sciences (India)

    Computational studies on energetic properties of nitrogen-rich energetic materials with ditetrazoles. LI XIAO-HONGa,b,∗ and ZHANG RUI-ZHOUa. aCollege of Physics and Engineering, Henan University of Science and Technology, Luoyang 471 003, China. bLuoyang Key Laboratory of Photoelectric Functional Materials, ...

  6. The effect of stability treatmetn on the surface energetics of ...

    African Journals Online (AJOL)

    The effect of stability treatmetn on the surface energetics of inhalation grade lactose. IP Okoye. Abstract. No Abstract. Global Journal of Pure and Applied Physics Vol. 14 (1) 2008 pp.85-88. Full Text: EMAIL FULL TEXT EMAIL FULL TEXT · DOWNLOAD FULL TEXT DOWNLOAD FULL TEXT.

  7. Determining the energetics of vicinal perovskite oxide surfaces

    NARCIS (Netherlands)

    Wessels, W.A.; Bollmann, Tjeerd Rogier Johannes; Koster, Gertjan; Zandvliet, Henricus J.W.; Rijnders, Augustinus J.H.M.

    2017-01-01

    The energetics of vicinal SrTiO3(001) and DyScO3(110), prototypical perovskite vicinal surfaces, has been studied using topographic atomic force microscopy imaging. The kink formation and strain relaxation energies are extracted from a statistical analysis of the step meandering. Both perovskite

  8. Structural, energetic and electronic properties of intercalated boron ...

    Indian Academy of Sciences (India)

    2National Institute for R&D of Isotopic and Molecular Technologies, Cluj-Napoca 400 293, Romania. MS received 8 November 2010; revised 28 March 2012. Abstract. The effects of chirality and the intercalation of transitional metal atoms inside single walled BN nano- tubes on structural, energetic and electronic properties ...

  9. Energetic Surface Smoothing of Complex Metal-Oxide Thin Films

    International Nuclear Information System (INIS)

    Willmott, P.R.; Herger, R.; Schlepuetz, C.M.; Martoccia, D.; Patterson, B.D.

    2006-01-01

    A novel energetic smoothing mechanism in the growth of complex metal-oxide thin films is reported from in situ kinetic studies of pulsed laser deposition of La 1-x Sr x MnO 3 on SrTiO 3 , using x-ray reflectivity. Below 50% monolayer coverage, prompt insertion of energetic impinging species into small-diameter islands causes them to break up to form daughter islands. This smoothing mechanism therefore inhibits the formation of large-diameter 2D islands and the seeding of 3D growth. Above 50% coverage, islands begin to coalesce and their breakup is thereby suppressed. The energy of the incident flux is instead rechanneled into enhanced surface diffusion, which leads to an increase in the effective surface temperature of ΔT≅500 K. These results have important implications on optimal conditions for nanoscale device fabrication using these materials

  10. Surface Thermometry of Energetic Materials by Laser-Induced Fluorescence

    Science.gov (United States)

    1989-09-01

    at 34 yttrium- aluminum -garnet (Dy:YAG). The simplified energy diagram of Dy:YAG is shown in Fig. 1. Absorbed laser light (at 355 nrm) can 5 excite the...the thermometric technique on a surface similar to that of an energetic material, a thermal-setting plastic supplied by Buehler, Ltd., was employed...temperature over the temperature range of interest. The rare-earth ion dysprosium (Dy) doped into a yttrium- aluminum -garnet (YAG) crystal was I determined

  11. Recovery of energetically overexploited urban aquifers using surface water

    Science.gov (United States)

    García-Gil, Alejandro; Vázquez-Suñé, Enric; Sánchez-Navarro, José Ángel; Mateo Lázaro, Jesús

    2015-12-01

    Shallow aquifers have an important role in reducing greenhouse gases through helping manage the temperature of urban environments. Nevertheless, the uncontrolled rapid use of shallow groundwater resources to heat or cool urban environments can cause thermal pollution that will limit the long term sustainability of the resource. Therefore, there is a need for appropriate mitigation/remediation strategies capable of recovering energetically overexploited aquifers. In this work, a novel remediation strategy based on surface water recharge into aquifers is presented. To evaluate the capabilities of such measures for effective remediation, this strategy is optimized for a management problem raised in the overheated "Urban Alluvial Aquifer of Zaragoza" (Spain). The application of a transient groundwater flow and heat transport model under 512 different mitigation scenarios has enabled to quantify and discuss the magnitude of the remediation effect as a respond to injection rates of surface water, seasonal schedule of the injection and location of injection. The quantification of the relationship between these variables together with the evaluation of the amount of surface water injected per year in each scenario proposed have provided a better understanding of the system processes and an optimal management alternative. This work also makes awareness of the magnitude of the remediation procedure which is in an order of magnitude of tenths of years.

  12. Simulation of Nanowires on Metal Vicinal Surfaces: Effect of Growth Parameters and Energetic Barriers

    Science.gov (United States)

    Hamouda, Ajmi B. H.; Blel, Sonia; Einstein, T. L.

    2012-02-01

    Growing one-dimensional metal structures is an important task in the investigation of the electronic and magnetic properties of new devices. We used kinetic Monte-Carlo (kMC) method to simulate the formation of nanowires of several metallic and non-metallic adatoms on Cu and Pt vicinal surfaces. We found that mono-atomic chains form on step-edges due to energetic barriers (the so-called Ehrlich-shwoebel and exchange barriers) on step-edge. Creation of perfect wires is found to depend on growth parameters and binding energies. We measure the filling ratio of nanowires for different chemical species in a wide range of temperature and flux. Perfect wires were obtained at lower deposition rate for all tested adatoms, however we notice different temperature ranges. Our results were compared with experimental ones [Gambardella et al., Surf. Sci.449, 93-103 (2000), PRB 61, 2254-2262, (2000)]. We review the role of impurities in nanostructuring of surfaces [Hamouda et al., Phys. Rev. B 83, 035423, (2011)] and discuss the effect of their energetic barriers on the obtained quality of nanowires. Our work provides experimentalists with optimum growth parameters for the creation of a uniform distribution of wires on surfaces.

  13. Structure and energetics of bimetallic surface confined alloys

    Energy Technology Data Exchange (ETDEWEB)

    Bergbreiter, Andreas; Roetter, Ralf T.; Engstfeld, Albert K.; Hoster, Harry E.; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University (Germany); Gross, Axel [Institute for Theoretical Chemistry, Ulm University (Germany)

    2009-07-01

    The atomic distribution in a number of A{sub x}B{sub 1-x}/B type surface alloys was determined by STM imaging with chemical contrast and statistically evaluated. Whereas in the systems Au{sub x}Pt{sub 1-x}/Pt(111), Ag{sub x}Pt{sub 1-x}/Pt(111), and Pd{sub x}Ru{sub 1-x}/Ru(0001) we find preferences for larger homoatomic aggregates, the atom distribution in Pt{sub x}Ru{sub 1-x}/Ru(0001) and Ag{sub x}Pd{sub 1-x}/Pd(111) is very close to a random one[1]. In Ag{sub x}Pd{sub 1-x}/Pd(111), our data show a small tendency towards clustering for x{sub Ag}<0.5, whereas at x{sub Ag}>0.5 this is reversed to a slight preference for heteroatomic neighborhoods. Based on these experimental results, we have derived effective cluster interaction energies for all surface alloys. These allow us to calculate phase diagrams for the surface alloys that we compare to predictions from theoretical work and to the behaviour of the corresponding bulk systems. We also discuss in how far the different atom distributions affect chemical and catalytic properties of the surface alloys.

  14. Average nuclear surface properties

    International Nuclear Information System (INIS)

    Groote, H. von.

    1979-01-01

    The definition of the nuclear surface energy is discussed for semi-infinite matter. This definition is extended also for the case that there is a neutron gas instead of vacuum on the one side of the plane surface. The calculations were performed with the Thomas-Fermi Model of Syler and Blanchard. The parameters of the interaction of this model were determined by a least squares fit to experimental masses. The quality of this fit is discussed with respect to nuclear masses and density distributions. The average surface properties were calculated for different particle asymmetry of the nucleon-matter ranging from symmetry beyond the neutron-drip line until the system no longer can maintain the surface boundary and becomes homogeneous. The results of the calculations are incorporated in the nuclear Droplet Model which then was fitted to experimental masses. (orig.)

  15. Effects on energetic impact of atomic clusters with surfaces

    International Nuclear Information System (INIS)

    Popok, V.N.; Vuchkovich, S.; Abdela, A.; Campbell, E.E.B.

    2007-01-01

    A brief state-of-the-art review in the field of cluster ion interaction with surface is presented. Cluster beams are efficient tools for manipulating agglomerates of atoms providing control over the synthesis as well as modification of surfaces on the nm-scale. The application of cluster beams for technological purposes requires knowledge of the physics of cluster-surface impact. This has some significant differences compared to monomer ion - surface interactions. The main effects of cluster-surface collisions are discussed. Recent results obtained in experiments on silicon surface nanostructuring using keV-energy implantation of inert gas cluster ions are presented and compared with molecular dynamics simulations. (authors)

  16. Nanodiamond for tuning the properties of energetic composites.

    Science.gov (United States)

    Pichot, Vincent; Comet, Marc; Miesch, Julien; Spitzer, Denis

    2015-12-30

    Bismuth oxide (Bi2O3) particles were coated by detonation nanodiamonds. The resulting nanocomposite materials were mixed with an aluminum nanopowder (≈ 100 nm) to prepare nanothermites, with reduced sensitivity to friction and electrostatic discharge (ESD). The use of nanodiamond for this purpose is reported here for the first time. Their numerous qualities such as their small size, antifriction properties and thermal conductivity make them ideal candidates. Small amounts of detonation nanodiamonds allow obtaining impressive desensitization, making thus modified Bi2O3/Al nanothermite safe to handle. A composition containing around 1 wt.% of nanodiamond has a sensitivity threshold to friction superior to 100 N instead of 5 N for the thermite without nanodiamond. Furthermore, the sensitivity threshold to electrostatic discharge increases to 20 times when the nanodiamond content reaches 1.8 wt.%. The antifriction properties of nanodiamond limit the scratching of Bi2O3 surface by Al particles. The desensitization to ESD is observed for a sufficient coverage of the oxide particles (1.8 wt.% of ND), which restrains the effect of the melt dispersion mechanism of aluminum and prevents the mixing of the oxidizing and the reducing parts of the composites. A good reactivity of the thermite could be maintained for nanodiamond content up to 2.6 wt.%. The carburizing of aluminum coming on contact with nanodiamond during the thermite reaction could be evidenced by X-ray Diffraction and calorimetry measurements and also participates to the desensitization of the nanothermite. This kind of desensitization by using detonation nanodiamond can also be applied to other nanothermites having low sensitivity threshold to friction and ESD. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Nanodiamond for tuning the properties of energetic composites

    Energy Technology Data Exchange (ETDEWEB)

    Pichot, Vincent, E-mail: vincent.pichot@isl.eu; Comet, Marc, E-mail: marc.comet@isl.eu; Miesch, Julien, E-mail: julien.miesch@isl.eu; Spitzer, Denis, E-mail: denis.spitzer@gmail.eu

    2015-12-30

    Highlights: • Bismuth oxide (Bi{sub 2}O{sub 3}) particles were successfully coated by detonation nanodiamond (DND). • Small DND contents strongly desensitize the Bi{sub 2}O{sub 3}/Al nanothermites to friction. • DNDs limit the electrostatic discharge sensitivity of the Bi{sub 2}O{sub 3}/Al nanothermites. • Desensitization can be mainly explained by the barrier role of the nanodiamonds. • Nanothermites sensitivity levels and flame propagation velocities are tuned by DND content. - Abstract: Bismuth oxide (Bi{sub 2}O{sub 3}) particles were coated by detonation nanodiamonds. The resulting nanocomposite materials were mixed with an aluminum nanopowder (≈100 nm) to prepare nanothermites, with reduced sensitivity to friction and electrostatic discharge (ESD). The use of nanodiamond for this purpose is reported here for the first time. Their numerous qualities such as their small size, antifriction properties and thermal conductivity make them ideal candidates. Small amounts of detonation nanodiamonds allow obtaining impressive desensitization, making thus modified Bi{sub 2}O{sub 3}/Al nanothermite safe to handle. A composition containing around 1 wt.% of nanodiamond has a sensitivity threshold to friction superior to 100 N instead of 5 N for the thermite without nanodiamond. Furthermore, the sensitivity threshold to electrostatic discharge increases to 20 times when the nanodiamond content reaches 1.8 wt.%. The antifriction properties of nanodiamond limit the scratching of Bi{sub 2}O{sub 3} surface by Al particles. The desensitization to ESD is observed for a sufficient coverage of the oxide particles (1.8 wt.% of ND), which restrains the effect of the melt dispersion mechanism of aluminum and prevents the mixing of the oxidizing and the reducing parts of the composites. A good reactivity of the thermite could be maintained for nanodiamond content up to 2.6 wt.%. The carburizing of aluminum coming on contact with nanodiamond during the thermite reaction could

  18. Nanodiamond for tuning the properties of energetic composites

    International Nuclear Information System (INIS)

    Pichot, Vincent; Comet, Marc; Miesch, Julien; Spitzer, Denis

    2015-01-01

    Highlights: • Bismuth oxide (Bi 2 O 3 ) particles were successfully coated by detonation nanodiamond (DND). • Small DND contents strongly desensitize the Bi 2 O 3 /Al nanothermites to friction. • DNDs limit the electrostatic discharge sensitivity of the Bi 2 O 3 /Al nanothermites. • Desensitization can be mainly explained by the barrier role of the nanodiamonds. • Nanothermites sensitivity levels and flame propagation velocities are tuned by DND content. - Abstract: Bismuth oxide (Bi 2 O 3 ) particles were coated by detonation nanodiamonds. The resulting nanocomposite materials were mixed with an aluminum nanopowder (≈100 nm) to prepare nanothermites, with reduced sensitivity to friction and electrostatic discharge (ESD). The use of nanodiamond for this purpose is reported here for the first time. Their numerous qualities such as their small size, antifriction properties and thermal conductivity make them ideal candidates. Small amounts of detonation nanodiamonds allow obtaining impressive desensitization, making thus modified Bi 2 O 3 /Al nanothermite safe to handle. A composition containing around 1 wt.% of nanodiamond has a sensitivity threshold to friction superior to 100 N instead of 5 N for the thermite without nanodiamond. Furthermore, the sensitivity threshold to electrostatic discharge increases to 20 times when the nanodiamond content reaches 1.8 wt.%. The antifriction properties of nanodiamond limit the scratching of Bi 2 O 3 surface by Al particles. The desensitization to ESD is observed for a sufficient coverage of the oxide particles (1.8 wt.% of ND), which restrains the effect of the melt dispersion mechanism of aluminum and prevents the mixing of the oxidizing and the reducing parts of the composites. A good reactivity of the thermite could be maintained for nanodiamond content up to 2.6 wt.%. The carburizing of aluminum coming on contact with nanodiamond during the thermite reaction could be evidenced by X-ray Diffraction and

  19. Changes in wetting and energetic properties of glass caused by deposition of different lipid layers

    Energy Technology Data Exchange (ETDEWEB)

    Golabek, Monika [Department of Physical Chemistry - Interfacial Phenomena, Faculty of Chemistry, Maria-Curie Sklodowska University, 20-031 Lublin (Poland); Holysz, Lucyna, E-mail: lucyna.holysz@poczta.umcs.lublin.pl [Department of Physical Chemistry - Interfacial Phenomena, Faculty of Chemistry, Maria-Curie Sklodowska University, 20-031 Lublin (Poland)

    2010-06-15

    An investigation of wetting and energetic properties of different lipid layers deposited on the glass surface was carried out by contact angles measurements and determination of the apparent surface free energy. The topography of the lipid layers was also determined with the help of atomic force microscopy (AFM). Two synthetic phospholipids were chosen for these studies, having the same phosphatidylcholine headgroup bound to the apolar part composed either by two saturated chains (1,2-dipalmitoyl-sn-glycero-3-phospshocholine - DPPC) or two unsaturated chains (1,2-dioleoyl-sn-glycero-3-phosphocholine - DOPC) and one lipid (1,2,3-trihexadecanoyl-sn-glycerol - tripalmitoylglycerol - TPG). The lipid layers, from the 1st to the 5th statistical monolayer, were deposited on the glass surface from chloroform solutions by spreading. The apparent surface free energy of the deposited layers was determined by contact angles measurements (advancing and receding) for three probe liquids (diiodomethane, water, and formamide), and then two concepts of interfacial interactions were applied. In the contact angle hysteresis approach (CAH) the apparent total surface free energy was calculated from the advancing and receding contact angles and surface tension of probe liquids. In the Lifshitz-van der Waals/acid-base approach (LWAB) the total surface free energy was calculated from the determined components of the energy, which were obtained from the advancing contact angles of the probe liquids only. Comparison of the results obtained by two approaches provided more information about the changes in the hydrophobicity/hydrophilicity of the layers depending on the number of monolayers and kind of the lipid deposited on the glass surface. It was found that the most visible changes in the surface free energy took place for the first two statistical monolayers irrespectively of the kind of the lipid used. Additionally, in all cases periodic oscillations from layer-to-layer in the lipid

  20. Effect of Energetic Plasma Flux on Flowing Liquid Lithium Surfaces

    Science.gov (United States)

    Kalathiparambil, Kishor; Jung, Soonwook; Christenson, Michael; Fiflis, Peter; Xu, Wenyu; Szott, Mathew; Ruzic, David

    2014-10-01

    An operational liquid lithium system with steady state flow driven by thermo-electric magneto-hydrodynamic force and capable of constantly refreshing the plasma exposed surface have been demonstrated at U of I. To evaluate the system performance in reactor relevant conditions, specifically to understand the effect of disruptive plasma events on the performance of the liquid metal PFCs, the setup was integrated to a pulsed plasma generator. A coaxial plasma generator drives the plasma towards a theta pinch which preferentially heats the ions, simulating ELM like flux, and the plasma is further guided towards the target chamber which houses the flowing lithium system. The effect of the incident flux is examined using diagnostic tools including triple Langmuir probe, calorimeter, rogowski coils, Ion energy analyzers, and fast frame spectral image acquisition with specific optical filters. The plasma have been well characterized and a density of ~1021 m-3, with electron temperature ~10 - 20 eV is measured, and final plasma velocities of 34 - 74 kms-1 have been observed. Calorimetric measurements using planar molybdenum targets indicate a maximum plasma energy (with 6 kV plasma gun and 20 kV theta pinch) of 0.08 MJm-2 with plasma divergence effects resulting in marginal reduction of 40 +/- 23 J in plasma energy. Further results from the other diagnostic tools, using the flowing lithium targets and the planar targets coated with lithium will be presented. DOE DE-SC0008587.

  1. Energetics and magnetism of Co-doped GaN(0001) surfaces: A first-principles study

    International Nuclear Information System (INIS)

    Qin, Zhenzhen; Xiong, Zhihua; Chen, Lanli; Qin, Guangzhao

    2014-01-01

    A comprehensive first-principles study of the energetics, electronic, and magnetic properties of Co-doped GaN(0001) thin films are presented and the effect of surface structure on the magnetic coupling between Co atoms is demonstrated. It is found that Co atoms prefer to substitute the surface Ga sites in different growth conditions. In particular, a CoN/GaN interface structure with Co atoms replacing the first Ga layer is preferred under N-rich and moderately Ga-rich conditions, while CoGa x /GaN interface is found to be energetically stable under extremely Ga-rich conditions. It is worth noted that the antiferromagnetic coupling between Co atoms is favorable in clean GaN(0001) surface, but the existence of ferromagnetism would be expected to occur as Co concentration increased in Ga-bilayer GaN(0001) surface. Our study provides the theoretical understanding for experimental research on Co-doped GaN films and might promise the Co:GaN system potential applications in spin injection devices

  2. Interaction of energetic particles with polymer surfaces: surface morphology development and sputtered polymer-fragment ion analysis

    International Nuclear Information System (INIS)

    Michael, R.S.

    1987-01-01

    The core of this thesis is based on a series of papers that have been published or will soon be published in which the various processes taking place in the energetic particle-polymer surface interaction scene is investigated. Results presented show different developments on polymer surfaces when compared to the vast experimental data on energetic particle-metal surface interactions. The surface morphology development depends on the physical characteristics of the polymer. Sputtering yields of fluoropolymers were several orders higher than the sputtering yields of aliphatic and aromatic polymers. Depending on the chemical nature of the polymer, the surface morphology development was dependent upon the extent of radiation-damage accumulation. Fast Atom Bombardment Mass Spectrometry at low and high resolution was applied to the characterization of sputtered polymer fragment ions. Fragment ions and their intensities were used to identify polymer samples, observe radiation damage accumulation and probe polymer-polymer interface of a polymer-polymer sandwich structure. A model was proposed which attempts to explain the nature of processes involved in the energetic particle-polymer surface interaction region

  3. The ion environment near Europa and its role in surface energetics

    Science.gov (United States)

    Paranicas, C.; Ratliff, J. M.; Mauk, B. H.; Cohen, C.; Johnson, R. E.

    2002-03-01

    This paper gives the composition, energy spectra, and time variability of energetic ions measured just upstream of Europa. From 100 keV to 100 MeV, ion intensities vary by less than a factor of ~5 among Europa passes considered between 1997 and 2000. We use the data to estimate the radiation dose rate into Europa's surface for depths 0.01 mm - 1 m. We find that in a critical fraction of the upper layer on Europa's trailing hemisphere, energetic electrons are the principal agent for radiolysis, and their bremsstrahlung photon products, not included in previous studies, dominate the dose below about 1 m. Because ion bombardment is more uniform across Europa's surface, the radiation dose on the leading hemisphere is dominated by the proton flux. Differences exist between this calculation and published doses based on the E4 wake pass. For instance, proton doses presented here are much greater below 1 mm.

  4. MULTI-SPACECRAFT ANALYSIS OF ENERGETIC HEAVY ION AND INTERPLANETARY SHOCK PROPERTIES IN ENERGETIC STORM PARTICLE EVENTS NEAR 1 au

    Energy Technology Data Exchange (ETDEWEB)

    Ebert, R. W.; Dayeh, M. A.; Desai, M. I. [Southwest Research Institute, 6220 Culebra Road, San Antonio, TX 78238 (United States); Jian, L. K. [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States); Li, G. [The Center for Space Plasma and Aeronomic Research (CSPAR), University of Alabama in Huntsville, Huntsville, AL 35756 (United States); Mason, G. M., E-mail: rebert@swri.edu [Johns Hopkins University/Applied Physics Laboratory, Laurel, MD 20273 (United States)

    2016-11-10

    We examine the longitude distribution of and relationship between interplanetary (IP) shock properties and ∼0.1–20 MeV nucleon{sup -1} O and Fe ions during seven multi-spacecraft energetic storm particle (ESP) events at 1 au. These ESP events were observed at two spacecraft and were primarily associated with low Mach number, quasi-perpendicular shocks. Key observations include the following: (i) the Alfvén Mach number increased from east to west of the coronal mass ejection source longitude, while the shock speed, compression ratios, and obliquity showed no clear dependence; (ii) the O and Fe time intensity profiles and peak intensities varied significantly between longitudinally separated spacecraft observing the same event, the peak intensities being larger near the nose and smaller along the flank of the IP shock; (iii) the O and Fe peak intensities had weak to no correlations with the shock parameters; (iv) the Fe/O time profiles showed intra-event variations upstream of the shock that disappeared downstream of the shock, where values plateaued to those comparable to the mean Fe/O of solar cycle 23; (v) the O and Fe spectral index ranged from ∼1.0 to 3.4, the Fe spectra being softer in most events; and (vi) the observed spectral index was softer than the value predicted from the shock compression ratio in most events. We conclude that while the variations in IP shock properties may account for some variations in O and Fe properties within these multi-spacecraft events, detailed examination of the upstream seed population and IP turbulence, along with modeling, are required to fully characterize these observations.

  5. Surface properties of beached plastics.

    Science.gov (United States)

    Fotopoulou, Kalliopi N; Karapanagioti, Hrissi K

    2015-07-01

    Studying plastic characteristics in the marine environment is important to better understand interaction between plastics and the environment. In the present study, high-density polyethylene (HDPE), polyethylene terephalate (PET), and polyvinyl chloride (PVC) samples were collected from the coastal environment in order to study their surface properties. Surface properties such as surface functional groups, surface topography, point of zero charge, and color change are important factors that change during degradation. Eroded HDPE demonstrated an altered surface topography and color and new functional groups. Eroded PET surface was uneven, yellow, and occasionally, colonized by microbes. A decrease in Fourier transform infrared (FTIR) peaks was observed for eroded PET suggesting that degradation had occurred. For eroded PVC, its surface became more lamellar and a new FTIR peak was observed. These surface properties were obtained due to degradation and could be used to explain the interaction between plastics, microbes, and pollutants.

  6. A Study of Atmospheric Plasma Treatment on Surface Energetics of Carbon Fibers

    International Nuclear Information System (INIS)

    Park, Soo Jin; Chang, Yong Hwan; Moon, Cheol Whan; Suh, Dong Hack; Im, Seung Soon; Kim, Yeong Cheol

    2010-01-01

    In this study, the atmospheric plasma treatment with He/O 2 was conducted to modify the surface chemistry of carbon fibers. The effects of plasma treatment parameters on the surface energetics of carbon fibers were experimentally investigated with respect to gas flow ratio, power intensity, and treatment time. Surface characteristics of the carbon fibers were determined by X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), Fourier transform infrared (FT-IR), Zeta-potential, and contact angle measurements. The results indicated that oxygen plasma treatment led to a large amount of reactive functional groups onto the fiber surface, and these groups can form together as physical intermolecular bonding to improve the surface wettability with a hydrophilic polymer matrix

  7. Shape-dependent Surface Energetics of Nanocrystalline TiO2

    Energy Technology Data Exchange (ETDEWEB)

    Park, T.J.; Wong, S.; Levchenko, A.A.; Zhou, H.; Navrotsky, A.

    2010-10-21

    We report the direct determination of surface enthalpies for nanophase TiO{sub 2} anatase with different morphologies derived from drop solution calorimetry in a molten sodium molybdate (3Na{sub 2}Ol{center_dot}4MoO{sub 3}) solvent at 702 C. The energetics of surface hydration has been measured using a Calvet microcalorimeter coupled with a gas dosing system. The surface enthalpies of hydrated surfaces for anatase TiO{sub 2} nanoparticles, nanowires and sea-urchin-like assemblies are 0.51 {+-} 0.05, 1.07 {+-} 0.28, and 1.29 {+-} 0.16 J m{sup -2}, respectively, whereas those of anhydrous surfaces are 0.74 {+-} 0.04, 1.24 {+-} 0.28, and 1.41 {+-} 0.16 J m{sup -2}, respectively. The trend in TiO{sub 2}, which shows higher surface enthalpies for more complex nanostructures, is consistent with that reported in ZnO. The shape-dependent surface enthalpy at the nanoscale level is discussed in terms of exposed surface structures. The enthalpies of hydration appear to be similar for all morphologies.

  8. Shape-dependent Surface Energetics of Nanocrystalline TiO2

    International Nuclear Information System (INIS)

    Park, T.J.; Wong, S.; Levchenko, A.A.; Zhou, H.; Navrotsky, A.

    2010-01-01

    We report the direct determination of surface enthalpies for nanophase TiO 2 anatase with different morphologies derived from drop solution calorimetry in a molten sodium molybdate (3Na 2 Ol·4MoO 3 ) solvent at 702 C. The energetics of surface hydration has been measured using a Calvet microcalorimeter coupled with a gas dosing system. The surface enthalpies of hydrated surfaces for anatase TiO 2 nanoparticles, nanowires and sea-urchin-like assemblies are 0.51 ± 0.05, 1.07 ± 0.28, and 1.29 ± 0.16 J m -2 , respectively, whereas those of anhydrous surfaces are 0.74 ± 0.04, 1.24 ± 0.28, and 1.41 ± 0.16 J m -2 , respectively. The trend in TiO 2 , which shows higher surface enthalpies for more complex nanostructures, is consistent with that reported in ZnO. The shape-dependent surface enthalpy at the nanoscale level is discussed in terms of exposed surface structures. The enthalpies of hydration appear to be similar for all morphologies.

  9. Energetics of Mg incorporation at GaN(0001) and GaN(0001¯) surfaces

    Science.gov (United States)

    Sun, Qiang; Selloni, Annabella; Myers, T. H.; Doolittle, W. Alan

    2006-04-01

    By using density functional calculations in the generalized gradient approximation, we investigate the energetics of Mg adsorption and incorporation at GaN(0001) and GaN(0001¯) surfaces under various Ga and Mg coverage conditions as well as in presence of light or electron beam-induced electronic excitation. We find significant differences in Mg incorporation between Ga- and N-polar surfaces. Mg incorporation is easier at the Ga-polar surface, but high Mg coverages are found to cause important distortions which locally change the polarity from Ga to N polar. At the N-rich and moderately Ga-rich GaN(0001) surface, 0.25 ML of Mg substituting Ga in the top bilayer strongly reduce the surface diffusion barriers of Ga and N adatoms, in agreement with the surfactant effect observed in experiments. As the Mg coverage exceeds 0.5 ML, partial incorporation in the subsurface region (second bilayer) becomes favorable. A surface structure with 0.5 ML of incorporated Mg in the top bilayer and 0.25 ML in the second bilayer is found to be stable over a wide range of Ga chemical potential. At the Ga bilayer-terminated GaN(0001) surface, corresponding to Ga-rich conditions, configurations where Mg is incorporated in the interface region between the metallic Ga bilayer and the underlying GaN bilayer appear to be favored. At the N-polar surface, Mg is not incorporated under N-rich or moderately Ga-rich conditions, whereas incorporation in the adlayer may take place under Ga-rich conditions. In the presence of light or electron beam induced excitation, energy differences between Mg incorporated at the surface and in deeper layers are reduced so that the tendency toward surface segregation is also reduced.

  10. The role of energetic ions from plasma in the creation of nanostructured materials and stable polymer surface treatments

    International Nuclear Information System (INIS)

    Bilek, M.M.M.; Newton-McGee, K.; McKenzie, D.R.; McCulloch, D.G.

    2006-01-01

    Plasma processes for the synthesis of new materials as thin films have enabled the production of a wide variety of new materials. These include meta-stable phases, which are not readily found in nature, and more recently, materials with structure on the nanoscale. Study of plasma synthesis processes at the fundamental level has revealed that ion energy, depositing flux and growth surface temperature are the critical parameters affecting the microstructure and the properties of the thin film materials formed. In this paper, we focus on the role of ion flux and impact energy in the creation of thin films with nanoscale structure in the form of multilayers. We describe three synthesis strategies, based on the extraction of ions from plasma sources and involving modulation of ion flux and ion energy. The microstructure, intrinsic stress and physical properties of the multilayered samples synthesized are studied and related back to the conditions at the growth surface during deposition. When energetic ions of a non-condensing species are used, it is possible to place active groups on the surfaces of materials such as polymers. These active groups can then be used as bonding sites in subsequent chemical attachment of proteins or other macromolecules. If the energy of the non-condensing ions is increased to a few keV then modified layers buried under the surface can be produced. Here we describe a method by which the aging effect, which is often observed in plasma surface modifications on polymers, can be reduced and even eliminated using high energy ion bombardment

  11. Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.

    Science.gov (United States)

    Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

    2015-06-18

    We have performed ab initio calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without self-consistent screening), Grimme's methods (D2, D3(BJ)), and the vdW-DF method. Our results reveal that dispersion correction methods are essential in understanding these complex structures with van der Waals interactions and hydrogen bonding. The calculated ground state volumes and bulk moduli show that the performance of each method is not unique, and therefore a careful examination is mandatory for interpreting theoretical predictions. This work also emphasizes the importance of quasiparticle calculations in predicting the band gap, which is obtained here with the GW approximation. We find that the obtained band gaps are ranging from 4 to 7 eV for the different compounds, indicating their insulating nature. In addition, we show the essential role of quasiparticle band structure calculations to correlate the gap with the energetic properties.

  12. InP and InAs nanowires hetero- and homojunctions: energetic stability and electronic properties.

    Science.gov (United States)

    Dionízio Moreira, M; Venezuela, P; Miwa, R H

    2010-07-16

    We performed an ab initio total energy investigation, within the density functional theory, of the energetic stability and the electronic properties of hydrogenated InAs/InP nanowire (NW) heterojunctions, as well as InAs and InP homojunctions composed of different structural arrangements, zinc-blend (zb) and wurtzite (w). For InAs/InP NW heterojunctions our results indicate that w and zb NW heterojunctions are quite similar, energetically, for thin NWs. We also examined the robustness of the abrupt interface through an atomic swap at the InAs/InP interface. Our results support the formation of abrupt (non-abrupt) interfaces in w (zb) InAs/InP heterojunctions. Concerning InAs/InP NW-SLs, our results indicate a type-I band alignment, with the energy barrier at the InP layers, in accordance with experimental works. For InAs or InP zb/w homojunctions, we also found a type-I band alignment for thin NWs, however, on increasing the NW diameter both InAs and InP homojunctions exhibit a type-II band alignment.

  13. InP and InAs nanowires hetero- and homojunctions: energetic stability and electronic properties

    International Nuclear Information System (INIS)

    Dionizio Moreira, M; Venezuela, P; Miwa, R H

    2010-01-01

    We performed an ab initio total energy investigation, within the density functional theory, of the energetic stability and the electronic properties of hydrogenated InAs/InP nanowire (NW) heterojunctions, as well as InAs and InP homojunctions composed of different structural arrangements, zinc-blend (zb) and wurtzite (w). For InAs/InP NW heterojunctions our results indicate that w and zb NW heterojunctions are quite similar, energetically, for thin NWs. We also examined the robustness of the abrupt interface through an atomic As↔P swap at the InAs/InP interface. Our results support the formation of abrupt (non-abrupt) interfaces in w (zb) InAs/InP heterojunctions. Concerning InAs/InP NW-SLs, our results indicate a type-I band alignment, with the energy barrier at the InP layers, in accordance with experimental works. For InAs or InP zb/w homojunctions, we also found a type-I band alignment for thin NWs, however, on increasing the NW diameter both InAs and InP homojunctions exhibit a type-II band alignment.

  14. Structural, energetic and electrical properties of boron nitride nanotubes interacting with DMMP chemical agent

    Energy Technology Data Exchange (ETDEWEB)

    Ganji, M. Darvish, E-mail: ganji_md@yahoo.com [Nanotechnology Research Institute, Faculty of Chemical Engineering, Babol Noshirvani University of Technology, Babol (Iran, Islamic Republic of); Gholian, M.; Mohammadzadeh, S. [Department of Chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr (Iran, Islamic Republic of)

    2014-09-30

    Highlights: • ab initio DFT calculations were used for interaction of DMMP with BNNTs. • Full structural optimization was performed for several possible active sites. • Electronic structure of the energetically favorable complexes was analyzed. • The stability of the most stable complex was evaluated at ambient condition. • First-principles calculations showed that DMMP is strongly bound to the small diameter BNNTs. - Abstract: The adsorption of DMMP as an intoxicating chemical warfare agent onto the boron nitride nanotube has been investigated by using density functional theory calculations. Several active sites were considered for both interacting systems and full structural optimization was performed to accurately find the energetically favorable state. It is found that DMMP molecule prefers to be adsorbed strongly on the top site above the B atom of a (5, 0) BNNT with a binding energy of about −103.24 kJ mol{sup −1} and an O–B binding distance of 1.641 Å. We have performed a comparative investigation of BNNTs with different diameters and the results indicate that the DMMP adsorption ability for the side wall of the tubes significantly decreases for higher diameters BNNTs. Furthermore, the adsorption properties of DMMP molecule onto the BNNT have been investigated using the ab initio MD simulation at room temperature. Our result showed that BNNTs facilitates the DMMP detection at ambient conditions for practical applications.

  15. Formation, Energetics, and Electronic Properties of Graphene Monolayer and Bilayer Doped with Heteroatoms

    Directory of Open Access Journals (Sweden)

    Yoshitaka Fujimoto

    2015-01-01

    Full Text Available Doping with heteroatoms is one of the most effective methods to tailor the electronic properties of carbon nanomaterials such as graphene and carbon nanotubes, and such nanomaterials doped with heteroatom dopants might therefore provide not only new physical and chemical properties but also novel nanoelectronics/optoelectronics device applications. The boron and nitrogen are neighboring elements to carbon in the periodic table, and they are considered to be good dopants for carbon nanomaterials. We here review the recent work of boron and nitrogen doping effects into graphene monolayer as well as bilayer on the basis of the first-principles electronic structure calculations in the framework of the density-functional theory. We show the energetics and the electronic properties of boron and nitrogen defects in graphene monolayer and bilayer. As for the nitrogen doping, we further discuss the stabilities, the growth processes, and the electronic properties associated with the plausible nitrogen defect formation in graphene which is suggested by experimental observations.

  16. The three-dimensional properties and energetics of radio-jet-driven outflows

    Energy Technology Data Exchange (ETDEWEB)

    Shih, Hsin-Yi; Stockton, Alan, E-mail: hsshih@ifa.hawaii.edu, E-mail: stockton@ifa.hawaii.edu [Institute for Astronomy, University of Hawai' i 2680 Woodlawn Dr, Honolulu, HI 96822 (United States)

    2014-05-01

    Extended emission-line regions (EELRs), found around radio-loud sources, are likely outflows driven by one form of powerful active galactic nucleus (AGN) feedback mechanism. We seek to constrain the three-dimensional gas properties and the outflow energetics of the EELRs in this study. We used an integral field unit to observe EELRs around two samples of radio-loud AGNs with similar radio properties, but different orientations: a sample of quasars and a sample of radio galaxies. A morphological comparison suggests a scenario where the three-dimensional EELR gas distribution follows rough biconical shapes with wide opening angles. The average extent of the EELRs is ∼18.5 kpc. The estimated average mass of the EELRs, with reasonable assumptions for gas densities, is ∼3 × 10{sup 8} M {sub ☉}, and the average mass outflow rate is ∼30 M {sub ☉} yr{sup –1}. The EELRs around quasars and radio galaxies share similar kinematic properties. Both samples have velocity structures that display a range of complexities, they do not appear to correlate with the jet orientations, and both span a similar range of velocity dispersions. Around 30% of the detected EELRs show large-scale rotational motions, which may have originated from recent mergers involving gas-rich disk galaxies.

  17. Influence of the viscoelastic properties of the respiratory system on the energetically optimum breathing frequency.

    Science.gov (United States)

    Bates, J H; Milic-Emili, J

    1993-01-01

    We hypothesized that the viscoelastic properties of the respiratory system should have significant implications for the energetically optimal frequency of breathing, in view of the fact that these properties cause marked dependencies of overall system resistance and elastance on frequency. To test our hypothesis we simulated two models of canine and human respiratory system mechanics during sinusoidal breathing and calculated the inspiratory work (WI) and pressure-time integral (PTI) per minute under both resting and exercise conditions. The two models were a two-compartment viscoelastic model and a single-compartment model. Requiring minute alveolar ventilation to be fixed, we found that both models predicted almost identical optimum breathing frequencies. The calculated PTI was very insensitive to increases in breathing frequency above the optimal frequencies, while WI was found to increase slowly with frequency above its optimum. In contrast, both WI and PTI increased sharply as frequency decreased below their respective optima. A sensitivity analysis showed that the model predictions were very insensitive to the elastance and resistance values chosen to characterize tissue viscoelasticity. We conclude that the WI criterion for choosing the frequency of breathing is compatible with observations in nature, whereas the optimal frequency predictions of the PTI are rather too high. Both criteria allow for a fairly wide margin of choice in frequency above the optimum values without incurring excessive additional energy expenditure. Furthermore, contrary to our expectations, the viscoelastic properties of the respiratory system tissues do not pose a noticeable problem to the respiratory controller in terms of energy expenditure.

  18. PHOSPHORUS FERTILIZATION AND HARVEST INTERVALS INFLUENCE ENERGETIC AND PHYSICAL PROPERTIES OF BRIQUETTES AND LARGE BRANCHES OF MATE

    Directory of Open Access Journals (Sweden)

    Delmar Santin

    Full Text Available ABSTRACT In mate crop, the commercial part consists of leaves and thin branches, while the large branches (LB are considered unused residues and left in the field, although they may have potential for use as energy. The objective of this paper was to evaluate the influence of phosphorus fertilization and harvest interval in productivity of mate large branches and in their physical and energetic properties, as well as in derived briquettes. In a seven-year-old plantation, doses of 0, 20, 40, 80, 160 and 320 kg.ha-1 of P2O5 were applied considering harvest intervals of 12, 18 and 24 months. Dry mass, average diameter, P content, and physical and energetic properties of LB were determined. With LB, after its transformation into particles and briquetting, physical and energetic properties were determined, as well as P availability in soil. The phosphorus fertilization increased LB productivity in larger harvest intervals, increasing the amount of energy produced per unit of area, but did not change basic density and gross calorific value of wood. Mate harvest intervals did not affect the apparent density and calorific value of briquettes produced by LB. LB harvested at intervals of 18 and 24 months produced wood with higher basic density and gross calorific value. LB or briquettes have adequate energetic and physical properties, being technically a plant residue with great potential for use as energy.

  19. DEFLECTIONS OF FAST CORONAL MASS EJECTIONS AND THE PROPERTIES OF ASSOCIATED SOLAR ENERGETIC PARTICLE EVENTS

    International Nuclear Information System (INIS)

    Kahler, S. W.; Akiyama, S.; Gopalswamy, N.

    2012-01-01

    The onset times and peak intensities of solar energetic particle (SEP) events at Earth have long been thought to be influenced by the open magnetic fields of coronal holes (CHs). The original idea was that a CH lying between the solar SEP source region and the magnetic footpoint of the 1 AU observer would result in a delay in onset and/or a decrease in the peak intensity of that SEP event. Recently, Gopalswamy et al. showed that CHs near coronal mass ejection (CME) source regions can deflect fast CMEs from their expected trajectories in space, explaining the appearance of driverless shocks at 1 AU from CMEs ejected near solar central meridian (CM). This suggests that SEP events originating in CME-driven shocks may show variations attributable to CH deflections of the CME trajectories. Here, we use a CH magnetic force parameter to examine possible effects of CHs on the timing and intensities of 41 observed gradual E ∼ 20 MeV SEP events with CME source regions within 20° of CM. We find no systematic CH effects on SEP event intensity profiles. Furthermore, we find no correlation between the CME leading-edge measured position angles and SEP event properties, suggesting that the widths of CME-driven shock sources of the SEPs are much larger than the CMEs. Independently of the SEP event properties, we do find evidence for significant CME deflections by CH fields in these events.

  20. DEFLECTIONS OF FAST CORONAL MASS EJECTIONS AND THE PROPERTIES OF ASSOCIATED SOLAR ENERGETIC PARTICLE EVENTS

    Energy Technology Data Exchange (ETDEWEB)

    Kahler, S. W. [Air Force Research Laboratory, Space Vehicles Directorate, 3550 Aberdeen Avenue, Kirtland AFB, NM 87117 (United States); Akiyama, S. [Institute for Astrophyics and Computational Sciences, Catholic University of America, Washington, DC 20064 (United States); Gopalswamy, N., E-mail: AFRL.RVB.PA@kirtland.af.mil [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

    2012-08-01

    The onset times and peak intensities of solar energetic particle (SEP) events at Earth have long been thought to be influenced by the open magnetic fields of coronal holes (CHs). The original idea was that a CH lying between the solar SEP source region and the magnetic footpoint of the 1 AU observer would result in a delay in onset and/or a decrease in the peak intensity of that SEP event. Recently, Gopalswamy et al. showed that CHs near coronal mass ejection (CME) source regions can deflect fast CMEs from their expected trajectories in space, explaining the appearance of driverless shocks at 1 AU from CMEs ejected near solar central meridian (CM). This suggests that SEP events originating in CME-driven shocks may show variations attributable to CH deflections of the CME trajectories. Here, we use a CH magnetic force parameter to examine possible effects of CHs on the timing and intensities of 41 observed gradual E {approx} 20 MeV SEP events with CME source regions within 20 Degree-Sign of CM. We find no systematic CH effects on SEP event intensity profiles. Furthermore, we find no correlation between the CME leading-edge measured position angles and SEP event properties, suggesting that the widths of CME-driven shock sources of the SEPs are much larger than the CMEs. Independently of the SEP event properties, we do find evidence for significant CME deflections by CH fields in these events.

  1. Deflections of Fast Coronal Mass Ejections and the Properties of Associated Solar Energetic Particle Events

    Science.gov (United States)

    Kahler, S. W.; Akiyama, S.; Gopalswamy, N.

    2012-01-01

    The onset times and peak intensities of solar energetic particle (SEP) events at Earth have long been thought to be influenced by the open magnetic fields of coronal holes (CHs). The original idea was that a CH lying between the solar SEP source region and the magnetic footpoint of the 1 AU observer would result in a delay in onset and/or a decrease in the peak intensity of that SEP event. Recently, Gopalswamy et al. showed that CHs near coronal mass ejection (CME) source regions can deflect fast CMEs from their expected trajectories in space, explaining the appearance of driverless shocks at 1 AU from CMEs ejected near solar central meridian (CM). This suggests that SEP events originating in CME-driven shocks may show variations attributable to CH deflections of the CME trajectories. Here, we use a CH magnetic force parameter to examine possible effects of CHs on the timing and intensities of 41 observed gradual E approx 20 MeV SEP events with CME source regions within 20 deg. of CM. We find no systematic CH effects on SEP event intensity profiles. Furthermore, we find no correlation between the CME leading-edge measured position angles and SEP event properties, suggesting that the widths of CME-driven shock sources of the SEPs are much larger than the CMEs. Independently of the SEP event properties, we do find evidence for significant CME deflections by CH fields in these events

  2. Investigation of the imaging properties of inorganic scintillation screens using high energetic ion beams

    Energy Technology Data Exchange (ETDEWEB)

    Lieberwirth, Alice [TU Darmstadt (Germany); JWG Universitaet Frankfurt/Main (Germany); Forck, Peter; Sieber, Thomas [GSI Darmstadt (Germany); Ensinger, Wolfgang; Lederer, Stephan [TU Darmstadt (Germany); Kester, Oliver [JWG Universitaet Frankfurt/Main (Germany)

    2016-07-01

    Inorganic scintillation screens are a common diagnostics tool in heavy ion accelerators. In order to investigate the imaging properties of various screen materials, four different material compositions were irradiated at GSI, using protons up to Uranium ions as projectiles. Beams were extracted from SIS18 with high energy (300 MeV/u) in slow and fast extraction mode. During irradiation the scintillation response of the screens was simultaneously recorded by two different optical setups to investigate light output, profile characteristics and emission spectra. It was observed, that fast extracted beams induce in general lower light output than slow extracted beams, while the light output per deposited energy decreases with atomic number. The analysis of the spectral emission as well as investigations with classical optical methods showed no significant defect-building in all materials, not even under irradiation with increasing beam intensity or over long time periods. The investigated scintillation screens can be considered as stable under irradiation with high energetic heavy ion pulses and are appropriate for beam diagnostics applications in future accelerator facilities like FAIR. Characteristic properties and application areas of the screens are presented in the poster.

  3. Balancing the Hydrogen Evolution Reaction, Surface Energetics, and Stability of Metallic MoS2 Nanosheets via Covalent Functionalization.

    Science.gov (United States)

    Benson, Eric E; Zhang, Hanyu; Schuman, Samuel A; Nanayakkara, Sanjini U; Bronstein, Noah D; Ferrere, Suzanne; Blackburn, Jeffrey L; Miller, Elisa M

    2018-01-10

    We modify the fundamental electronic properties of metallic (1T phase) nanosheets of molybdenum disulfide (MoS 2 ) through covalent chemical functionalization, and thereby directly influence the kinetics of the hydrogen evolution reaction (HER), surface energetics, and stability. Chemically exfoliated, metallic MoS 2 nanosheets are functionalized with organic phenyl rings containing electron donating or withdrawing groups. We find that MoS 2 functionalized with the most electron donating functional group (p-(CH 3 CH 2 ) 2 NPh-MoS 2 ) is the most efficient catalyst for HER in this series, with initial activity that is slightly worse compared to the pristine metallic phase of MoS 2 . The p-(CH 3 CH 2 ) 2 NPh-MoS 2 is more stable than unfunctionalized metallic MoS 2 and outperforms unfunctionalized metallic MoS 2 for continuous H 2 evolution within 10 min under the same conditions. With regards to the entire studied series, the overpotential and Tafel slope for catalytic HER are both directly correlated with the electron donating strength of the functional group. The results are consistent with a mechanism involving ground-state electron donation or withdrawal to/from the MoS 2 nanosheets, which modifies the electron transfer kinetics and catalytic activity of the MoS 2 nanosheet. The functional groups preserve the metallic nature of the MoS 2 nanosheets, inhibiting conversion to the thermodynamically stable semiconducting state (2H) when mildly annealed in a nitrogen atmosphere. We propose that the electron density and, therefore, reactivity of the MoS 2 nanosheets are controlled by the attached functional groups. Functionalizing nanosheets of MoS 2 and other transition metal dichalcogenides provides a synthetic chemical route for controlling the electronic properties and stability within the traditionally thermally unstable metallic state.

  4. Geometric and energetic considerations of surface fluctuations during ion transfer across the water-immiscible organic liquid interface

    Energy Technology Data Exchange (ETDEWEB)

    Karnes, John J.; Benjamin, Ilan, E-mail: benjamin@chemistry.ucsc.edu [Department of Chemistry and Biochemistry, University of California, Santa Cruz, California 95064 (United States)

    2016-07-07

    Molecular dynamics simulations and umbrella sampling free energy calculations are used to examine the thermodynamics, energetics, and structural fluctuations that accompany the transfer of a small hydrophilic ion (Cl{sup −}) across the water/nitrobenzene interface. By examining several constrained interface structures, we isolate the energetic costs of interfacial deformation and co-transfer of hydration waters during the ion transfer. The process is monitored using both energy-based solvation coordinates and a geometric coordinate recently introduced by Morita and co-workers to describe surface fluctuations. Our simulations show that these coordinates provide a complimentary description of the water surface fluctuations during the transfer and are necessary for elucidating the mechanism of the ion transfer.

  5. Microhydration effect on structural, energetic and light scattering properties of first branched interstellar molecule ( i-PrCN)

    OpenAIRE

    Chakraborty, Sumana; Routh, Swati; Krishnappa, Madhu

    2015-01-01

    In this work, we have focused on microsolvation of isopropyl cyanide (i-PrCN) as isopropyl cyanide has been recently detected in interstellar space and is of great importance from the astrochemical and bio-chemical point of view for its branching carbon chains. Such branches are needed for many molecules crucial to life, such as the amino acids that build proteins. The phenomenon of the formation of hydrogen bond affects structure, energetic and electric properties of microhydrated isopropyl ...

  6. RHEOLOGICAL PROPERTIES AND THE ENERGETIC VALUE OF WHEAT FLOUR SUBSTITUTED BY DIFFERENT SHARES OF WHITE AND BROWN RICE FLOUR

    Directory of Open Access Journals (Sweden)

    Nada Nikolić

    2011-09-01

    Full Text Available In order to produce dough with a lower gluten content, more enriched with rice components and satisfactory rheological properties, the rheological properties, energetic value and cake baking properties of wheat and white or brown rice flour in shares from 3 to 30% (w/w were investigated in this paper. The water absorption in wheat-rice flour mixtures was lower and decreased to 53.5% and 54.0% along with the increase of the white and the brown rice flour share, respectively, than in wheat flour, where it was 58.8%. In the dough made from rice flour, a gluten network had thinner filaments, about 2 and 1 μm in width for white and brown rice flour, respectively, compared to those in the dough from wheat flour only, where it was about 7 μm. The dough from rice flour had almost twice higher gelatinization maximum than the gelatinization maximum of the wheat flour only. The energetic values of the dough from rice flour were smaller than the energetic value of the wheat flour, for only 1.32%. Based on Cluster analysis, the white or brown rice flour share of 20% was pointed out.

  7. A comparison of solar energetic particle event timescales with properties of associated coronal mass ejections

    International Nuclear Information System (INIS)

    Kahler, S. W.

    2013-01-01

    The dependence of solar energetic proton (SEP) event peak intensities Ip on properties of associated coronal mass ejections (CMEs) has been extensively examined, but the dependence of SEP event timescales is not well known. We define three timescales of 20 MeV SEP events and ask how they are related to speeds v CME or widths W of their associated CMEs observed by LASCO/SOHO. The timescales of the EPACT/Wind 20 MeV events are TO, the onset time from CME launch to SEP onset; TR, the rise time from onset to half the peak intensity (0.5Ip); and TD, the duration of the SEP intensity above 0.5Ip. This is a statistical study based on 217 SEP-CME events observed during 1996-2008. The large number of SEP events allows us to examine the SEP-CME relationship in five solar-source longitude ranges. In general, we statistically find that TO declines slightly with v CME , and TR and TD increase with both v CME and W. TO is inversely correlated with log Ip, as expected from a particle background effect. We discuss the implications of this result and find that a background-independent parameter TO+TR also increases with v CME and W. The correlations generally fall below the 98% significance level, but there is a significant correlation between v CME and W which renders interpretation of the timescale results uncertain. We suggest that faster (and wider) CMEs drive shocks and accelerate SEPs over longer times to produce the longer TR and TD SEP timescales.

  8. Temperature dependence of nuclear surface properties

    International Nuclear Information System (INIS)

    Campi, X.; Stringari, S.

    1982-01-01

    Thermal properties of nuclear surface are investigated in a semi-infinite medium. Explicit analytical expression are given for the temperature dependence of surface thickness, surface energy and surface free energy. In this model the temperature effects depend critically on the nuclear incompressibility and on the shape of the effective mass at the surface. To illustrate the relevance of these effects we made an estimate of the temperature dependence of the fission barrier height. (orig.)

  9. Structure and optical properties of water covered Cu(110) surfaces

    International Nuclear Information System (INIS)

    Baghbanpourasl, A.

    2014-01-01

    In this thesis structural and optical properties of the water covered Cu(110) surface is studied using density functional theory within independent particle approximation. Several stable adsorption structures are studied such as water clusters (monomer, dimer, trimer, tetramer and pentamer), different hexagonal monolayers, partially dissociated water monolayers and three different types of chains among them a chain that consists of pentagon rings. For a copper surface in contact with water vapor, the energetically stable H 2 O/OH adsorbed structures are compared thermodynamically using adsorption free energy (change of free energy due to adsorption). Several phase diagrams with respect to temperature and pressure are calculated. It is found that among the large number of energetically stable structures (i.e. structures with positive adsorption energy ) only limited number of them are thermodynamically stable. These thermodynamically stable structures are the class of almost energetically degenerate hexagonal overlayers, one type of partially dissociated water structure that contains Bjerrum defect in the hydrogen bond network and pentagon chain. Since hydrogen atoms are light weight their vibrational effects can be considerable. Zero point vibration decreases the adsorption energy up to 0.1 eV and free energy of adsorbed molecules arising from vibrational degree of freedom can go up to -0.2 eV per adsorbed molecule at 500 Kelvin. However zero point energy and vibrational free energy of adsorbed molecules do not alter relative stability of the adsorbed structures. To account for the long range van der Waals interactions, a semi-empirical scheme is applied. Reflectance Anisotropy Spectroscopy (RAS) is a fast and non destructive optical method that can be used to prob the surface in different conditions such as vacuum and electro-chemical environment. Elasto-optic coeficients of bulk are calculated from first principles and the change of the RA spectrum of the bare Cu

  10. Bulk and surface properties of liquid Al-Cr and Cr-Ni alloys

    International Nuclear Information System (INIS)

    Novakovic, R

    2011-01-01

    The energetics of mixing and structural arrangement in liquid Al-Cr and Cr-Ni alloys has been analysed through the study of surface properties (surface tension and surface segregation), dynamic properties (chemical diffusion) and microscopic functions (concentration fluctuations in the long-wavelength limit and chemical short-range order parameter) in the framework of statistical mechanical theory in conjunction with quasi-lattice theory. The Al-Cr phase diagram exhibits the existence of different intermetallic compounds in the solid state, while that of Cr-Ni is a simple eutectic-type phase diagram at high temperatures and includes the low-temperature peritectoid reaction in the range near a CrNi 2 composition. Accordingly, the mixing behaviour in Al-Cr and Cr-Ni alloy melts was studied using the complex formation model in the weak interaction approximation and by postulating Al 8 Cr 5 and CrNi 2 chemical complexes, respectively, as energetically favoured.

  11. Bulk and surface properties of liquid Al-Cr and Cr-Ni alloys.

    Science.gov (United States)

    Novakovic, R

    2011-06-15

    The energetics of mixing and structural arrangement in liquid Al-Cr and Cr-Ni alloys has been analysed through the study of surface properties (surface tension and surface segregation), dynamic properties (chemical diffusion) and microscopic functions (concentration fluctuations in the long-wavelength limit and chemical short-range order parameter) in the framework of statistical mechanical theory in conjunction with quasi-lattice theory. The Al-Cr phase diagram exhibits the existence of different intermetallic compounds in the solid state, while that of Cr-Ni is a simple eutectic-type phase diagram at high temperatures and includes the low-temperature peritectoid reaction in the range near a CrNi(2) composition. Accordingly, the mixing behaviour in Al-Cr and Cr-Ni alloy melts was studied using the complex formation model in the weak interaction approximation and by postulating Al(8)Cr(5) and CrNi(2) chemical complexes, respectively, as energetically favoured.

  12. Lunar surface engineering properties experiment definition

    Science.gov (United States)

    Mitchell, J. K.; Goodman, R. E.; Hurlbut, F. C.; Houston, W. N.; Willis, D. R.; Witherspoon, P. A.; Hovland, H. J.

    1971-01-01

    Research on the mechanics of lunar soils and on developing probes to determine the properties of lunar surface materials is summarized. The areas of investigation include the following: soil simulation, soil property determination using an impact penetrometer, soil stabilization using urethane foam or phenolic resin, effects of rolling boulders down lunar slopes, design of borehole jack and its use in determining failure mechanisms and properties of rocks, and development of a permeability probe for measuring fluid flow through porous lunar surface materials.

  13. Energetic Systems

    Data.gov (United States)

    Federal Laboratory Consortium — The Energetic Systems Division provides full-spectrum energetic engineering services (project management, design, analysis, production support, in-service support,...

  14. Surface active monomers synthesis, properties, and application

    CERN Document Server

    Borzenkov, Mykola

    2014-01-01

    This brief includes information on the background?of and development of synthesis of various types of surface active monomers. The authors explain the importance of utilization of surface active monomers for creation of surface active polymers? and the various biomedical applications of such compounds . This brief introduces techniques for the synthesis of novel types of surface active monomers, their colloidal and polymerizable properties and application for needs of medicine and biology.

  15. Energetic properties of stellar pulsations across the Hertzsprung-Russell diagram

    Directory of Open Access Journals (Sweden)

    Daszyńska-Daszkiewicz Jadwiga

    2015-01-01

    Full Text Available I will review types of modes which are observed in stars with different masses and on various evolutionary stages. In particular, I will focus on energetic aspects of oscillation modes, i.e., excitation, distribution of kinetic energy, mode amplitude and lifetime.

  16. Surface composition and surface properties of water hyacinth ...

    African Journals Online (AJOL)

    Surface composition and surface properties of water hyacinth ( Eichhornia ... (2/1, v/v) followed by ethanol, using Fourier Transform Infra-red (FT-IR) spectroscopy, ... polar organic solvents and non-polar n-alkane hydrocarbons is discussed.

  17. The unusual properties of beryllium surfaces

    International Nuclear Information System (INIS)

    Stumpf, R.; Hannon, J.B.

    1994-01-01

    Be is a ''marginal metal.'' The stable phase, hcp-Be, has a low Fermi-level density of states and very anisotropic structural and elastic properties, similar to a semiconductor's. At the Be(0001) surface, surface states drastically increase the Fermi-level density of states. The different nature of bonding in bulk-Be and at the Be(0001) surface explains the large outward relaxation. The presence of surface states causes large surface core-level shifts by inducing a higher electrostatic potential in the surface layers and by improving the screening at the surface. The authors experimental and theoretical investigations of atomic vibrations at the Be(0001) surface demonstrate clearly that Be screening of atomic motion by the surface states makes the surface phonon dispersion fundamentally different from that of the bulk. Properties of Be(0001) are so different from those of the bulk that the surface can be considered a new ''phase'' of beryllium with unique electronic and structural characteristics. For comparison they also study Be(11 bar 20), a very open surface without important surface states. Be(11 bar 20) is the only clean s-p metal surface known to reconstruct (1 x 3 missing row reconstruction)

  18. Dielectric properties of lunar surface

    Science.gov (United States)

    Yushkova, O. V.; Kibardina, I. N.

    2017-03-01

    Measurements of the dielectric characteristics of lunar soil samples are analyzed in the context of dielectric theory. It has been shown that the real component of the dielectric permittivity and the loss tangent of rocks greatly depend on the frequency of the interacting electromagnetic field and the soil temperature. It follows from the analysis that one should take into account diurnal variations in the lunar surface temperature when interpreting the radar-sounding results, especially for the gigahertz radio range.

  19. Defined wetting properties of optical surfaces

    Science.gov (United States)

    Felde, Nadja; Coriand, Luisa; Schröder, Sven; Duparré, Angela; Tünnermann, Andreas

    2017-10-01

    Optical surfaces equipped with specific functional properties have attracted increasing importance over the last decades. In the light of cost reduction, hydrophobic self-cleaning behavior is aspired. On the other side, hydrophilic properties are interesting due to their anti-fog effect. It has become well known that such wetting states are significantly affected by the surface morphology. For optical surfaces, however, this fact poses a problem, as surface roughness can induce light scattering. The generation of optical surfaces with specific wetting properties, hence, requires a profound understanding of the relation between the wetting and the structural surface properties. Thus, our work concentrates on a reliable acquisition of roughness data over a wide spatial frequency range as well as on the comprehensive description of the wetting states, which is needed for the establishment of such correlations. We will present our advanced wetting analysis for nanorough optical surfaces, extended by a vibration-based procedure, which is mainly for understanding and tailoring the wetting behavior of various solid-liquid systems in research and industry. Utilizing the relationships between surface roughness and wetting, it will be demonstrated how different wetting states for hydrophobicity and hydrophilicity can be realized on optical surfaces with minimized scatter losses.

  20. Metrology and properties of engineering surfaces

    CERN Document Server

    Greenwood, J; Chetwynd, D

    2001-01-01

    Metrology and Properties of Engineering Surfaces provides in a single volume a comprehensive and authoritative treatment of the crucial topics involved in the metrology and properties of engineering surfaces. The subject matter is a central issue in manufacturing technology, since the quality and reliability of manufactured components depend greatly upon the selection and qualities of the appropriate materials as ascertained through measurement. The book can in broad terms be split into two parts; the first deals with the metrology of engineering surfaces and covers the important issues relating to the measurement and characterization of surfaces in both two and three dimensions. This covers topics such as filtering, power spectral densities, autocorrelation functions and the use of Fractals in topography. A significant proportion is dedicated to the calibration of scanning probe microscopes using the latest techniques. The remainder of the book deals with the properties of engineering surfaces and covers a w...

  1. Biofunctionalization of surfaces by energetic ion implantation: Review of progress on applications in implantable biomedical devices and antibody microarrays

    Science.gov (United States)

    Bilek, Marcela M. M.

    2014-08-01

    Despite major research efforts in the field of biomaterials, rejection, severe immune responses, scar tissue and poor integration continue to seriously limit the performance of today's implantable biomedical devices. Implantable biomaterials that interact with their host via an interfacial layer of active biomolecules to direct a desired cellular response to the implant would represent a major and much sought after improvement. Another, perhaps equally revolutionary, development that is on the biomedical horizon is the introduction of cost-effective microarrays for fast, highly multiplexed screening for biomarkers on cell membranes and in a variety of analyte solutions. Both of these advances will rely on effective methods of functionalizing surfaces with bioactive molecules. After a brief introduction to other methods currently available, this review will describe recently developed approaches that use energetic ions extracted from plasma to facilitate simple, one-step covalent surface immobilization of bioactive molecules. A kinetic theory model of the immobilization process by reactions with long-lived, mobile, surface-embedded radicals will be presented. The roles of surface chemistry and microstructure of the ion treated layer will be discussed. Early progress on applications of this technology to create diagnostic microarrays and to engineer bioactive surfaces for implantable biomedical devices will be reviewed.

  2. Energetics and optical properties of 6-dimensional rotating black hole in pure Gauss-Bonnet gravity

    International Nuclear Information System (INIS)

    Abdujabbarov, Ahmadjon; Ahmedov, Bobomurat; Atamurotov, Farruh; Dadhich, Naresh; Stuchlik, Zdenek

    2015-01-01

    We study physical processes around a rotating black hole in pure Gauss-Bonnet (GB) gravity. In pure GB gravity, the gravitational potential has a slower fall-off as compared to the corresponding Einstein potential in the same dimension. It is therefore expected that the energetics of a pure GB black hole would be weaker, and our analysis bears out that the efficiency of energy extraction by the Penroseprocess is increased to 25.8 % and the particle acceleration is increased to 55.28 %; the optical shadow of the black hole is decreased. These are in principle distinguishing observable features of a pure GB black hole. (orig.)

  3. Excimer laser surface modification: Process and properties

    Energy Technology Data Exchange (ETDEWEB)

    Jervis, T.R.; Nastasi, M. [Los Alamos National Lab., NM (United States); Hirvonen, J.P. [Technical Research Institute, Espoo (Finland). Metallurgy Lab.

    1992-12-01

    Surface modification can improve materials for structural, tribological, and corrosion applications. Excimer laser light has been shown to provide a rapid means of modifying surfaces through heat treating, surface zone refining, and mixing. Laser pulses at modest power levels can easily melt the surfaces of many materials. Mixing within the molten layer or with the gas ambient may occur, if thermodynamically allowed, followed by rapid solidification. The high temperatures allow the system to overcome kinetic barriers found in some ion mixing experiments. Alternatively, surface zone refinement may result from repeated melting-solidification cycles. Ultraviolet laser light couples energy efficiently to the surface of metallic and ceramic materials. The nature of the modification that follows depends on the properties of the surface and substrate materials. Alloying from both gas and predeposited layer sources has been observed in metals, semiconductors, and ceramics as has surface enrichment of Cr by zone refinement of stainless steel. Rapid solidification after melting often results in the formation of nonequilibrium phases, including amorphous materials. Improved surface properties, including tribology and corrosion resistance, are observed in these materials.

  4. Electronic excitation of Ti atoms sputtered by energetic Ar+ and He+ from clean and monolayer oxygen covered surfaces

    International Nuclear Information System (INIS)

    Pellin, M.J.; Gruen, D.M.; Young, C.E.; Wiggins, M.D.; Argonne National Lab., IL

    1983-01-01

    Electronic excitation of Ti atoms ejected during energetic ion bombardment (Ar + , He + ) of well characterized clean and oxygen covered polycrystalline Ti metal surfaces has been determined. For states with 0 to 2 eV and 3 to 5.5 eV of electronic energy, static mode laser fluorescence spectroscopy (LFS) and static mode spontaneous fluorescence spectroscopy (SFS) were used respectively. These experiments which were carried out in a UHV ( -10 Torr) system equipped with an Auger spectrometer provide measurements of the correlation between oxygen coverage (0 to 3 monolayers) and the excited state distribution of sputtered Ti atoms. The experimentally determined electronic partition function of Ti atoms does not show an exponential dependence on energy (E) above the ground state but rather an E -2 or E -3 power law dependence. (orig.)

  5. Surface characterization of an energetic material, pentaerythritoltetranitrate (PETN), having a thin coating achieved through a starved addition microencapsulation technique

    Energy Technology Data Exchange (ETDEWEB)

    Worley, C.M.

    1986-05-07

    The objective of this research was to: (1) determine the nature of a thin coating on an explosive material which was applied using a starved addition microencapsulation technique, (2) understand the coating/crystal bond, and (3) investigate the wettability/adhesion of plastic/solvent combinations using the coating process. The coating used in this work was a Firestone Plastic Company copolymer (FPC-461) of vinylchloride/trifluorochloroethylene in a 1.5/1.0 weight ratio. The energetic explosive examined was pentaerythritoltetranitrate (PETN). The coating process used was starved addition followed by a solvent evaporation technique. Surface analytical studies, completed for characterization of the coating process, show (1) evidence that the polymer coating is present, but not continuous, over the surface of PETN; (2) the average thickness of the polymer coating is between 16-32 A and greater than 44 A, respectively, for 0.5 and 20 wt % coated PETN; (3) no changes in surface chemistry of the polymer or the explosive material following microencapsulation; and (4) the presence of explosive material on the surface of 0.5 wt % FPC-461 coated explosives. 5 refs., 15 figs., 6 tabs.

  6. Atomistic simulations of bulk, surface and interfacial polymer properties

    Science.gov (United States)

    Natarajan, Upendra

    In chapter I, quasi-static molecular mechanics based simulations are used to estimate the activation energy of phenoxy rings flips in the amorphous region of a semicrystalline polyimide. Intra and intermolecular contributions to the flip activation energy, the torsional cooperativity accompanying the flip, and the effect of the flip on the motion in the glassy bulk state, are looked at. Also, comparison of the weighted mean activation energy is made with experimental data from solid state NMR measurements; the simulated value being 17.5 kcal/mol., while the experimental value was observed to be 10.5 kcal/mol. Chapter II deals with construction of random copolymer thin films of styrene-butadiene (SB) and styrene-butadiene-acrylonitrile (SBA). The structure and properties of the free surfaces presented by these thin films are analysed by, the atom mass density profiles, backbone bond orientation function, and the spatial distribution of acrylonitrile groups and styrene rings. The surface energies of SB and SBA are calculated using an atomistic equation and are compared with experimental data in the literature. In chapter III, simulations of polymer-polymer interfaces between like and unlike polymers, specifically cis-polybutadiene (PBD) and atatic polypropylene (PP), are presented. The structure of an incompatible polymer-polymer interface, and the estimation of the thermodynamic work of adhesion and interfacial energy between different incompatible polymers, form the focus here. The work of adhesion is calculated using an atomistic equation and is further used in a macroscopic equation to estimate the interfacial energy. The interfacial energy is compared with typical values for other immiscible systems in the literature. The interfacial energy compared very well with interfacial energy values for a few other immiscible hydrocarbon pairs. In chapter IV, the study proceeds to look at the interactions between nonpolar and polar small molecules with SB and SBA thin

  7. Rapid comparison of properties on protein surface.

    Science.gov (United States)

    Sael, Lee; La, David; Li, Bin; Rustamov, Raif; Kihara, Daisuke

    2008-10-01

    The mapping of physicochemical characteristics onto the surface of a protein provides crucial insights into its function and evolution. This information can be further used in the characterization and identification of similarities within protein surface regions. We propose a novel method which quantitatively compares global and local properties on the protein surface. We have tested the method on comparison of electrostatic potentials and hydrophobicity. The method is based on 3D Zernike descriptors, which provides a compact representation of a given property defined on a protein surface. Compactness and rotational invariance of this descriptor enable fast comparison suitable for database searches. The usefulness of this method is exemplified by studying several protein families including globins, thermophilic and mesophilic proteins, and active sites of TIM beta/alpha barrel proteins. In all the cases studied, the descriptor is able to cluster proteins into functionally relevant groups. The proposed approach can also be easily extended to other surface properties. This protein surface-based approach will add a new way of viewing and comparing proteins to conventional methods, which compare proteins in terms of their primary sequence or tertiary structure.

  8. Molecular dynamics simulation for the influence of incident angles of energetic carbon atoms on the structure and properties of diamond-like carbon films

    International Nuclear Information System (INIS)

    Li, Xiaowei; Ke, Peiling; Lee, Kwang-Ryeol; Wang, Aiying

    2014-01-01

    The influence of incident angles of energetic carbon atoms (0–60°) on the structure and properties of diamond-like carbon (DLC) films was investigated by the molecular dynamics simulation using a Tersoff interatomic potential. The present simulation revealed that as the incident angles increased from 0 to 60°, the surface roughness of DLC films increased and the more porous structure was generated. Along the growth direction of DLC films, the whole system could be divided into four regions including substrate region, transition region, stable region and surface region except the case at the incident angle of 60°. When the incident angle was 45°, the residual stress was significantly reduced by 12% with little deterioration of mechanical behavior. The further structure analysis using both the bond angles and bond length distributions indicated that the compressive stress reduction mainly resulted from the relaxation of highly distorted C–C bond length. - Highlights: • The dependence of films properties on different incident angles was investigated. • The change of incident angles reduced the stress without obvious damage of density. • The stress reduction attributed to the relaxation of highly distorted bond length

  9. Surface Properties of TNOs: Preliminary Statistical Analysis

    Science.gov (United States)

    Antonieta Barucci, Maria; Fornasier, S.; Alvarez-Cantal, A.; de Bergh, C.; Merlin, F.; DeMeo, F.; Dumas, C.

    2009-09-01

    An overview of the surface properties based on the last results obtained during the Large Program performed at ESO-VLT (2007-2008) will be presented. Simultaneous high quality visible and near-infrared spectroscopy and photometry have been carried out on 40 objects with various dynamical properties, using FORS1 (V), ISAAC (J) and SINFONI (H+K bands) mounted respectively at UT2, UT1 and UT4 VLT-ESO telescopes (Cerro Paranal, Chile). For spectroscopy we computed the spectral slope for each object and searched for possible rotational inhomogeneities. A few objects show features in their visible spectra such as Eris, whose spectral bands are displaced with respect to pure methane-ice. We identify new faint absorption features on 10199 Chariklo and 42355 Typhon, possibly due to the presence of aqueous altered materials. The H+K band spectroscopy was performed with the new instrument SINFONI which is a 3D integral field spectrometer. While some objects show no diagnostic spectral bands, others reveal surface deposits of ices of H2O, CH3OH, CH4, and N2. To investigate the surface properties of these bodies, a radiative transfer model has been applied to interpret the entire 0.4-2.4 micron spectral region. The diversity of the spectra suggests that these objects represent a substantial range of bulk compositions. These different surface compositions can be diagnostic of original compositional diversity, interior source and/or different evolution with different physical processes affecting the surfaces. A statistical analysis is in progress to investigate the correlation of the TNOs’ surface properties with size and dynamical properties.

  10. Final Report: Mechanisms of sputter ripple formation: coupling among energetic ions, surface kinetics, stress and composition

    Energy Technology Data Exchange (ETDEWEB)

    Chason, Eric; Shenoy, Vivek

    2013-01-22

    Self-organized pattern formation enables the creation of nanoscale surface structures over large areas based on fundamental physical processes rather than an applied template. Low energy ion bombardment is one such method that induces the spontaneous formation of a wide variety of interesting morphological features (e.g., sputter ripples and/or quantum dots). This program focused on the processes controlling sputter ripple formation and the kinetics controlling the evolution of surfaces and nanostructures in high flux environments. This was done by using systematic, quantitative experiments to measure ripple formation under a variety of processing conditions coupled with modeling to interpret the results.

  11. Surface properties of functional polymer systems

    Science.gov (United States)

    Wong, Derek

    Polymer surface modification typically involves blending with other polymers or chemical modification of the parent polymer. Such strategies inevitably result in polymer systems that are spatially and chemically heterogeneous, and which exhibit the phenomenon of surface segregation. This work investigates the effects of chain architecture on the surface segregation behavior of such functionally modified polymers using a series of end- and center-fluorinated poly(D,L-lactide). Surface segregation of the fluorinated functional groups was observed in both chain architectures via AMPS and water contact angle. Higher surface segregation was noted for functional groups located at the chain end as opposed to those in the middle of the chain. A self-consistent mean-field lattice theory was used to model the composition depth profiles of functional groups and excellent agreement was found between the model predictions and the experimental AMPS data in both chain architectures. Polymer properties are also in general dependent on both time and temperature, and exhibit a range of relaxation times in response to environmental stimuli. This behavior arises from the characteristic frequencies of molecular motions of the polymer chain and the interrelationship between time and temperature has been widely established for polymer bulk properties. There is evidence that surface properties also respond in a manner that is time and temperature dependent and that this dependence may not be the same as that observed for bulk properties. AMPS and water contact angle experiments were used to investigate the surface reorganization behavior of functional groups using a series of anionically synthesized end-fluorinated and end-carboxylated poly(styrene). It was found that both types of functional end-groups reorganized upon a change in the polarity of the surface environment in order to minimize the surface free energy. ADXPS and contact angle results suggest that the reorganization depth was

  12. Surface damage of TFTR protective plate candidate materials by energetic D+ irradiation

    International Nuclear Information System (INIS)

    Kaminsky, M.; Das, S.K.

    1979-01-01

    Experiments were conducted to determine the surface damage of ATJ graphite, V, Cu, and Type 316 stainless steel under 60-keV D + irradiation. The irradiations were conducted in the pulsed mode. For a total accumulated dose of 8.1 x 10 18 ions/cm 2 , blisters were readily seen for Cu surfaces, but no blisters were observed on Type 316 stainless steel and vanadium surfaces. For the case of ATJ graphite, the surface damage was observed in the form of ridges and grooves. In the case of copper, many large blisters with diameters ranging from 3.5 μm to 46 μm are observed in addition to some small ones (average diameter approx. 2 μm. The blister density of the large blisters is the highest in the case of copper (1.1 x 10 5 blisters/cm 2 ). These observations of blister formation are related to the differences in the premeability of deuterium in these materials. An examination of the cross section of the ridges in fractured samples of graphite indicates that they are not hollow. The mechanisms of formation of these ridges is not clear at present. 1 figure

  13. Energetic driving force of H spillover between rhodium and titania surfaces : a DFT view

    NARCIS (Netherlands)

    Conradie, J.; Gracia, J.; Niemantsverdriet, J.W.

    2012-01-01

    Hydrogen spillover from a rhodium particle, over the most stable (111) surface, to a TiO2 rutile support occurs at low hydrogen coverage because the adsorption energy of H atoms at low hydrogen coverage on rutile is larger than that on rhodium. H diffuses over the support with an activation barrier

  14. Investigations Of Powder Surface Properties Of Drug Substances ...

    African Journals Online (AJOL)

    In this study, Inverse Gas Chromatography (IGC) was used to characterize the surface energetics of different batches of two drug substances (Salmetrol Xinafoate, SX and Fluticasone Propionate, FP) manufactured under identical conditions. The results obtained demonstrate the potential of IGC technique to reveal ...

  15. A theoretical study of molecular structure, optical properties and bond activation of energetic compound FOX-7 under intense electric fields

    Science.gov (United States)

    Tao, Zhiqiang; Wang, Xin; Wei, Yuan; Lv, Li; Wu, Deyin; Yang, Mingli

    2017-02-01

    Molecular structure, vibrational and electronic absorption spectra, chemical reactivity of energetic compound FOX-7, one of the most widely used explosives, were studied computationally in presence of an electrostatic field of 0.01-0.05 a.u. The Csbnd N bond, which usually triggers the decomposition of FOX-7, is shortened/elongated under a parallel/antiparallel field. The Csbnd N bond activation energy varies with the external electric field, decreasing remarkably with the field strength in regardless of the field direction. This is attributed to two aspects: the bond weakening by the field parallel to the Csbnd N bond and the stabilization effect on the transition-state structure by the field antiparallel to the bond. The variations in the structure and property of FOX-7 under the electric fields were further analyzed with its distributional polarizability, which is dependent on the charge transfer characteristics through the Csbnd N bond.

  16. Surface active properties of lipid nanocapsules.

    Directory of Open Access Journals (Sweden)

    Celia R A Mouzouvi

    Full Text Available Lipid nanocapsules (LNCs are biomimetic nanocarriers used for the encapsulation of a broad variety of active ingredients. Similar to surface active compounds, LNCs contain both hydrophilic and hydrophobic parts in their structure. Moreover, the components of LNCs, macrogol 15 hydroxystearate (MHS and lecithin, are known for their surface active properties. Therefore, the aim of this paper was to investigate the capability of the LNCs to decrease surface tension using two techniques: drop tensiometry and the Wilhelmy plate method. LNCs with diameters ranging from 30 to 100 nm were successfully obtained using a phase inversion technique. The LNCs' properties, such as size and zeta potential, depend on the composition. LNCs exhibit a lower limiting surface tension compared to MHS (34.8-35.0 mN/m and 37.7-38.8 mN/m, respectively, as confirmed by both drop tensiometry and the Wilhelmy plate method. LNCs have exhibited a saturated interfacial concentration (SIC that was 10-fold higher than the critical micellar concentration (CMC of MHS or the SIC of binary and ternary mixtures of LNC ingredients. The SIC of the LNC formulations depended on the mass mixing ratio of the MHS/triglycerides but not on the presence of lecithin. The CMC/SIC values measured by the Wilhelmy plate method were higher than those obtained using drop tensiometry because of the longer duration of the tensiometry measurement. In conclusion, the surfactant-like properties of the LNCs offer new possibilities for medical and pharmaceutical applications.

  17. Characterizing the statistical properties of protein surfaces

    Science.gov (United States)

    Bak, Ji Hyun; Bitbol, Anne-Florence; Bialek, William

    Proteins and their interactions form the body of the signaling transduction pathway in many living systems. In order to ensure the accuracy as well as the specificity of signaling, it is crucial that proteins recognize their correct interaction partners. How difficult, then, is it for a protein to discriminate its correct interaction partner(s) from the possibly large set of other proteins it may encounter in the cell? An important ingredient of recognition is shape complementarity. The ensemble of protein shapes should be constrained by the need for maintaining functional interactions while avoiding spurious ones. To address this aspect of protein recognition, we consider the ensemble of proteins in terms of the shapes of their surfaces. We take into account the high-resolution structures of E.coli non-DNA-binding cytoplasmic proteins, retrieved from the Protein Data Bank. We aim to characterize the statistical properties of the protein surfaces at two levels: First, we study the intrinsic dimensionality at the level of the ensemble of the surface objects. Second, at the level of the individual surfaces, we determine the scale of shape variation. We further discuss how the dimensionality of the shape space is linked to the statistical properties of individual protein surfaces. Jhb and WB acknowledge support from National Science Foundation Grants PHY-1305525 and PHY-1521553. AFB acknowledges support from the Human Frontier Science Program.

  18. Mechanical properties of ion implanted ceramic surfaces

    International Nuclear Information System (INIS)

    Burnett, P.J.

    1985-01-01

    This thesis investigates the mechanisms by which ion implantation can affect those surface mechanical properties of ceramics relevant to their tribological behaviour, specifically hardness and indentation fracture. A range of model materials (including single crystal Si, SiC, A1 2 0 3 , Mg0 and soda-lime-silica glass) have been implanted with a variety of ion species and at a range of ion energies. Significant changes have been found in both low-load microhardness and indentation fracture behaviour. The changes in hardness have been correlated with the evolution of an increasingly damaged and eventually amorphous thin surface layer together with the operation of radiation-, solid-solution- and precipitation-hardening mechanisms. Compressive surface stresses have been shown to be responsible for the observed changes in identation fracture behaviour. In addition, the levels of surface stress present have been correlated with the structure of the surface layer and a simple quantitative model proposed to explain the observed stress-relief upon amorphisation. Finally, the effects of ion implantation upon a range of polycrystalline ceramic materials has been investigated and the observed properties modifications compared and contrasted to those found for the model single crystal materials. (author)

  19. Welcome to Surface Topography: Metrology and Properties

    Science.gov (United States)

    Leach, Richard

    2013-11-01

    I am delighted to welcome readers to this inaugural issue of Surface Topography: Metrology and Properties (STMP). In these days of citation indexes and academic reviews, it is a tough, and maybe a brave, job to start a new journal. But the subject area has never been more active and we are seeing genuine breakthroughs in the use of surfaces to control functional performance. Most manufactured parts rely on some form of control of their surface characteristics. The surface is usually defined as that feature on a component or device, which interacts with either the environment in which it is housed (or in which the device operates), or with another surface. The surface topography and material characteristics of a part can affect how fluids interact with it, how the part looks and feels and how two bearing parts will slide together. The need to control, and hence measure, surface features is becoming increasingly important as we move into a miniaturized world. Surface features can become the dominant functional features of a part and may become large in comparison to the overall size of an object. Research into surface texture measurement and characterization has been carried out for over a century and is now more active than ever, especially as new areal surface texture specification standards begin to be introduced. The range of disciplines for which the function of a surface relates to its topography is very diverse; from metal sheet manufacturing to art restoration, from plastic electronics to forensics. Until now, there has been no obvious publishing venue to bring together all these applications with the underlying research and theory, or to unite those working in academia with engineering and industry. Hence the creation of Surface Topography: Metrology and Properties . STMP will publish the best work being done across this broad discipline in one journal, helping researchers to share common themes and highlighting and promoting the extraordinary benefits this

  20. The influence of preformed plasma on the surface-guided lateral transport of energetic electrons in ultraintense short laser–foil interactions

    International Nuclear Information System (INIS)

    Yuan, X H; Zheng, J; Liu, J L; Fang, Y; Sheng, Z M; Carroll, D C; Gray, R J; Brenner, C M; Coury, M; Tresca, O; Neely, D; McKenna, P; Chen, L M; Li, Y T; Zielbauer, B; Kühl, T

    2014-01-01

    The lateral transport patterns of energetic electrons in thin foil targets irradiated with relativistically intense, picosecond laser pulses with different peak-to-pedestal intensity contrast ratios are reported. For ‘low contrast’ pulses, a large current of energetic electrons is found to be transported along the target front surface, due to the formation of strong quasi-static electric and magnetic fields. This is distinctly different from the case with ‘high contrast’ pulses, where energetic electrons are spatially confined. Although this lateral transport reduces the efficiency of the laser energy coupling into ion and radiation production in the region of the laser focus, it can play an important role in directing energy transport in advanced fast ignition schemes involving hollow cone targets and also in heating the target (to generate states of warm dense matter) in regions far from the drive laser focus. (paper)

  1. Thermal Characteristics of Pyranometers and Pyrgeometers in Atmosphere-Surface Energetic Measurements

    Science.gov (United States)

    Tsay, Si-Chee; Einaudi, Franco (Technical Monitor)

    2000-01-01

    Since the introduction of thermopile, pyranometers (solar, e.g., 0.3 - 3.0 microns) and pyrgeometers (terrestrial, e.g., 4 - 50 microns) have become instruments commonly used for measuring the broadband hemispherical irradiances at the surface in a long-term, monitoring mode for decades. These commercially available radiometers have been manufactured in several countries such as from the United States, Asia, and Europe, and are generally reliable and economical. These worldwide distributions of surface measurements become even more important in the era of Earth remote sensing in studying climate change. However, recent studies from field campaigns have pointed out that erroneous factors (e.g., temperature gradients between the filter dome and detector, emissivity of the thermopile) are responsible for the unacceptable level of uncertainty (e.g., 20 W/sq m). It is best to utilize an energy balance equation to describe the thermal dome effect of pyranometers and pyrgeometers. Therefore, quality of pyranometer and pyrgeometer measurements can be improved largely by applying proper knowledge of the thermal parameters affecting the operation of the thermopile systems. Data correction procedure and algorithm will be presented and discussed.

  2. Do Solar Coronal Holes Affect the Properties of Solar Energetic Particle Events?

    Science.gov (United States)

    Kahler, S. W.; Arge, C. N.; Akiyama, S.; Gopalswamy, N.

    2013-01-01

    The intensities and timescales of gradual solar energetic particle (SEP) events at 1 AU may depend not only on the characteristics of shocks driven by coronal mass ejections (CMEs), but also on large-scale coronal and interplanetary structures. It has long been suspected that the presence of coronal holes (CHs) near the CMEs or near the 1-AU magnetic footpoints may be an important factor in SEP events. We used a group of 41 E (is) approx. 20 MeV SEP events with origins near the solar central meridian to search for such effects. First we investigated whether the presence of a CH directly between the sources of the CME and of the magnetic connection at 1 AU is an important factor. Then we searched for variations of the SEP events among different solar wind (SW) stream types: slow, fast, and transient. Finally, we considered the separations between CME sources and CH footpoint connections from 1 AU determined from four-day forecast maps based on Mount Wilson Observatory and the National Solar Observatory synoptic magnetic-field maps and the Wang-Sheeley-Arge model of SW propagation. The observed in-situ magnetic-field polarities and SW speeds at SEP event onsets tested the forecast accuracies employed to select the best SEP/CH connection events for that analysis. Within our limited sample and the three analytical treatments, we found no statistical evidence for an effect of CHs on SEP event peak intensities, onset times, or rise times. The only exception is a possible enhancement of SEP peak intensities in magnetic clouds.

  3. Energetics and self-diffusion behavior of Zr atomic clusters on a Zr(0 0 0 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Liu Fusheng [Department of Applied Physics, Hunan University, Changsha 410082 (China); Hu Wangyu [Department of Applied Physics, Hunan University, Changsha 410082 (China)], E-mail: wangyuhu2001cn@yahoo.com.cn; Deng Huiqiu; Luo Wenhua; Xiao Shifang [Department of Applied Physics, Hunan University, Changsha 410082 (China); Yang Jianyu [Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104 (China)

    2009-09-15

    Using a molecular dynamics method and a modified analytic embedded atom potential, the energetic and the self-diffusion dynamics of Zr atomic clusters up to eight atoms on {alpha}-Zr(0 0 0 1) surface have been studied. The simulation temperature ranges from 300 to 1100 K and the simulation time varies from 20 to 40 ns. It's found that the heptamer and trimer are more stable comparing to other neighboring non-compact clusters. The diffusion coefficients of clusters are derived from the mean square displacement of cluster's mass-center and the present diffusion coefficients for clusters exhibit an Arrhenius behavior. The Arrhenius relation of the single adatom can be divided into two parts in different temperature range because of their different diffusion mechanisms. The migration energies of clusters increase with increasing the number of atoms in cluster. The differences of the prefactors also come from the diverse diffusion mechanisms. On the facet of 60 nm, the heptamer can be the nuclei in the crystal growth below 370 K.

  4. Contaminant Organic Complexes: Their Structure and Energetics in Surface Decontamination Processes

    International Nuclear Information System (INIS)

    Satish C. B. Myneni

    2005-01-01

    Siderophores are biological macromolecules (400-2000 Da) released by bacteria in iron limiting situations to sequester Fe from iron oxyhydroxides and silicates in the natural environment. These molecules contain hydroxamate and phenolate functional groups, and exhibit very high affinity for Fe 3+ . While several studies were conducted to understand the behavior of siderophores and their application to the metal sequestration and mineral dissolution, only a few of them have examined the molecular structure of siderophores and their interactions with metals and mineral surfaces in aqueous solutions. Improved understanding of the chemical state of different functional moieties in siderophores can assist in the application of these biological molecules in actinide separation, sequestration and decontamination processes. The focus of our research group is to evaluate the (a) functional group chemistry of selected siderophores and their metal complexes in aqueous solutions, and (b) the nature of siderophore interactions at the mineral-water interfaces. We selected desferrioxamine B (desB), a hydroxamate siderophore, and its small structural analogue, acetohydroxamic acid (aHa), for this investigation. We examined the functional group chemistry of these molecules as a function of pH, and their complexation with aqueous and solid phase Fe(III). For solid phase Fe, we synthesized all naturally occurring Fe(III)-oxyhydroxides (goethite, lepidocrocite, akaganeite, feroxyhite) and hematite. We also synthesized Fe-oxides (goethite and hematite) of different sizes to evaluate the influence of particle size on mineral dissolution kinetics. We used a series of molecular techniques to explore the functional group chemistry of these molecules and their complexes. Infrared spectroscopy is used to specifically identify the variations in oxime group as a function of pH and Fe(III) complexation. Resonance Raman spectroscopy was used to evaluate the nature of hydroxamate binding in the

  5. Adsorption of F2C=CFCl on TiO2 nano-powder: Structures, energetics and vibrational properties from DRIFT spectroscopy and periodic quantum chemical calculations

    International Nuclear Information System (INIS)

    Tasinato, Nicola; Moro, Daniele; Stoppa, Paolo; Pietropolli Charmet, Andrea; Toninello, Piero; Giorgianni, Santi

    2015-01-01

    Graphical abstract: - Highlights: • Adsorption of F 2 C=CFCl on TiO 2 unveiled by DRIFTS and periodic DFT. • Structural, energetic and vibrational properties of F 2 C=CFCl @ anatase (1 0 1). • Binding energies (B3LYP-D2) between −17 and −46 kJ mol −1 depending on the anchor point. • Theory and experiment converge on the CF 2 moiety as the main anchor point. - Abstract: Photodegradation over titanium dioxide (TiO 2 ) is a very appealing technology for removing environmental pollutants from the air, the adsorption interaction being the first step of the whole reaction pathway. In the present work the adsorption of F 2 C=CFCl (chlorotrifluoroethene, halon 1113), a compound used by industry and detected in the atmosphere, on a commercial TiO 2 nano-powder is investigated experimentally by in situ DRIFT spectroscopy and theoretically through periodic ab initio calculations rooted in DFT. The spectra of the adsorbed molecule suggest that the anchoring to the surface mainly takes place through F atoms. Theoretically, five adsorption configurations for the molecule interacting with the anatase (1 0 1) surface are simulated at B3LYP level and for each of them, structures, binding energies and vibrational frequencies are derived. The interplay between theory and experiments shows the coexistence of different adsorption configurations, the foremost ones featuring the interaction of one F atom with a fivefold coordinated Ti 4+ of the surface. These two adsorption models, which mostly differ for the orientation of the adsorbate with respect to the surface, feature a binding energy of −45.6 and −41.0 kJ mol −1 according to dispersion corrected DFT calculations. The favorable adsorption interaction appears as an important requirement toward the application of titanium dioxide technologies for the photocatalytic degradation of halon 1113.

  6. Structures, energetics and magnetic properties of (NiSn)n clusters ...

    Indian Academy of Sciences (India)

    plications in the automobile industry and hydrocarbon reactions as catalysts [1,2]. ... The formation of surface alloys seem to be very important in the chemical ... The lowest-energy configuration of (NiSn)2 is a three-dimensional (3D) distorted.

  7. Thermodynamic properties of water solvating biomolecular surfaces

    Science.gov (United States)

    Heyden, Matthias

    Changes in the potential energy and entropy of water molecules hydrating biomolecular interfaces play a significant role for biomolecular solubility and association. Free energy perturbation and thermodynamic integration methods allow calculations of free energy differences between two states from simulations. However, these methods are computationally demanding and do not provide insights into individual thermodynamic contributions, i.e. changes in the solvent energy or entropy. Here, we employ methods to spatially resolve distributions of hydration water thermodynamic properties in the vicinity of biomolecular surfaces. This allows direct insights into thermodynamic signatures of the hydration of hydrophobic and hydrophilic solvent accessible sites of proteins and small molecules and comparisons to ideal model surfaces. We correlate dynamic properties of hydration water molecules, i.e. translational and rotational mobility, to their thermodynamics. The latter can be used as a guide to extract thermodynamic information from experimental measurements of site-resolved water dynamics. Further, we study energy-entropy compensations of water at different hydration sites of biomolecular surfaces. This work is supported by the Cluster of Excellence RESOLV (EXC 1069) funded by the Deutsche Forschungsgemeinschaft.

  8. Hydrodynamic slip length as a surface property

    Science.gov (United States)

    Ramos-Alvarado, Bladimir; Kumar, Satish; Peterson, G. P.

    2016-02-01

    Equilibrium and nonequilibrium molecular dynamics simulations were conducted in order to evaluate the hypothesis that the hydrodynamic slip length is a surface property. The system under investigation was water confined between two graphite layers to form nanochannels of different sizes (3-8 nm). The water-carbon interaction potential was calibrated by matching wettability experiments of graphitic-carbon surfaces free of airborne hydrocarbon contamination. Three equilibrium theories were used to calculate the hydrodynamic slip length. It was found that one of the recently reported equilibrium theories for the calculation of the slip length featured confinement effects, while the others resulted in calculations significantly hindered by the large margin of error observed between independent simulations. The hydrodynamic slip length was found to be channel-size independent using equilibrium calculations, i.e., suggesting a consistency with the definition of a surface property, for 5-nm channels and larger. The analysis of the individual trajectories of liquid particles revealed that the reason for observing confinement effects in 3-nm nanochannels is the high mobility of the bulk particles. Nonequilibrium calculations were not consistently affected by size but by noisiness in the smallest systems.

  9. Surface properties of copper based cermet materials

    International Nuclear Information System (INIS)

    Voinea, M.; Vladuta, C.; Bogatu, C.; Duta, A.

    2008-01-01

    The paper presents the characterization of the surface properties of copper based cermets obtained by two different techniques: spray pyrolysis deposition (SPD) and electrodeposition. Copper acetate was used as precursor of Cu/CuO x cermet. The surface morphology was tailored by adding copolymers of maleic anhydride with controlled hydrophobia. The films morphology of Cu/CuO x was assessed using contact angle measurements and AFM analysis. The porous structures obtained via SPD lead to higher liquid adsorption rate than the electrodeposited films. A highly polar liquid - water is recommended as testing liquid in contact angle measurements, for estimating the porosity of copper based cermets, while glycerol can be used to distinguish among ionic and metal predominant structures. Thus, contact angle measurements can be used for a primary evaluation of the films morphology and, on the other hand, of the ratio between the cermet components

  10. LONGITUDINAL PROPERTIES OF A WIDESPREAD SOLAR ENERGETIC PARTICLE EVENT ON 2014 FEBRUARY 25: EVOLUTION OF THE ASSOCIATED CME SHOCK

    Energy Technology Data Exchange (ETDEWEB)

    Lario, D.; Kwon, R.-Y.; Vourlidas, A.; Raouafi, N. E.; Haggerty, D. K.; Ho, G. C.; Anderson, B. J. [The Johns Hopkins University, Applied Physics Laboratory, Laurel, MD 20723 (United States); Papaioannou, A. [Institute for Astronomy, Astrophysics, Space Applications and Remote Sensing, National Observatory of Athens, GR-15 236 Penteli (Greece); Gómez-Herrero, R. [Space Research Group, Physics and Mathematics Department, University of Alcalá, Alcalá de Henares, E-28871 (Spain); Dresing, N. [Institute of Experimental and Applied Physics, Christian-Albrechts University of Kiel, Kiel (Germany); Riley, P. [Predictive Science, 9990 Mesa Rim Road, Suite 170, San Diego, CA 92121 (United States)

    2016-03-01

    We investigate the solar phenomena associated with the origin of the solar energetic particle (SEP) event observed on 2014 February 25 by a number of spacecraft distributed in the inner heliosphere over a broad range of heliolongitudes. These include spacecraft located near Earth; the twin Solar TErrestrial RElations Observatory spacecraft, STEREO-A and STEREO-B, located at ∼1 au from the Sun 153° west and 160° east of Earth, respectively; the MErcury Surface Space ENvironment GEochemistry and Ranging mission (at 0.40 au and 31° west of Earth); and the Juno spacecraft (at 2.11 au and 48° east of Earth). Although the footpoints of the field lines nominally connecting the Sun with STEREO-A, STEREO-B and near-Earth spacecraft were quite distant from each other, an intense high-energy SEP event with Fe-rich prompt components was observed at these three locations. The extent of the extreme-ultraviolet wave associated with the solar eruption generating the SEP event was very limited in longitude. However, the white-light shock accompanying the associated coronal mass ejection extended over a broad range of longitudes. As the shock propagated into interplanetary space it extended over at least ∼190° in longitude. The release of the SEPs observed at different longitudes occurred when the portion of the shock magnetically connected to each spacecraft was already at relatively high altitudes (≳2 R{sub ⊙} above the solar surface). The expansion of the shock in the extended corona, as opposite to near the solar surface, determined the SEP injection and SEP intensity-time profiles at different longitudes.

  11. Structural and energetic properties of La3+ in water/DMSO mixtures

    Science.gov (United States)

    Montagna, Maria; Spezia, Riccardo; Bodo, Enrico

    2017-11-01

    By using molecular dynamics based on a custom polarizable force field, we have studied the solvation of La3+ in an equimolar mixture of dimethylsulfoxide (DMSO) with water. An extended structural analysis has been performed to provide a complete picture of the physical properties at the basis of the interaction of La3+ with both solvents. Through our simulations we found that, very likely, the first solvation shell in the mixture is not unlike the one found in pure water or pure DMSO and contains 9 solvent molecules. We have also found that the solvation is preferentially due to DMSO molecules with the water initially present in first shell quickly leaving to the bulk. The dehydration process of the first shell has been analyzed by both plain MD simulations and a constrained dynamics approach; the free energy profiles for the extraction of water from first shell have also been computed.

  12. Photoelectrical Properties and Energetical Structure of Thin Films of Indandione Derivatives

    Directory of Open Access Journals (Sweden)

    Maira INDRIKOVA

    2011-07-01

    Full Text Available A sandwich type structure of two dimetilaminobenziliden-1,3-indandione (DMABI derivatives placed between metal electrodes was made to investigate the photoelectrical properties of these derivatives. DMABI is an organic isolator with a wide energy gap and high quantum efficiency of the photogeneration, DMABI derivatives have received also considerable attention because of its large dipole moment and optical nonlinearities. Besides, since it is a photosensitive material, its use in solar systems is very promising. The energy gap of each material and combined system was observed from the spectral dependence of the quantum efficiency of the photoconductivity and results are compared with results of oxidation and reduction potential of the materials. The values showed a good correlation between experimental data of the photoconductivity and voltamperometry and calculated data of the HOMO and LUMO levels of the molecules.http://dx.doi.org/10.5755/j01.ms.17.2.480

  13. Surface and conductivity properties of imidazoles solutions

    International Nuclear Information System (INIS)

    Rogalski, Marek; Domanska, Urszula; Czyrny, Dagmara; Dyczko, Dagmara

    2002-01-01

    The surface tension, σ, of the solutions of benzimidazole, 2-phenylimidazole and 2,4,5-triphenylimidazole in water, or water + 10 mol% of acetonitrile, or in other solvents as well as the solubilities and conductivity of benzimidazole and 2-phenylimidazole in water in function of concentration at 298.15 K were measured. The enthalpy of fusion, or solid-solid phase transition and the melting temperatures were determined for the substances under study by the scanning calorimetry (DSC). These solutions exhibit, in a wide range of concentrations, the normal linear, or parabolic decreasing dependencies and the maximum of surface tension at very low concentrations and show the S-shaped dependencies, being in function of the initial sample, never reported before. The results were confirmed by the conductivity measurements. The results were interpreted in terms of the changing structure of the interface. It was concluded that the observed phenomena were caused by an induced nucleation of benzimidazole, 2-phenylimidazole and especially by 2,4,5-triphenylimidazole by columnar discotic structures due to the initial concentration. The surface properties of these solutions reflect the interactions of hydrophobic parts of the guest molecules adsorbed at the interface, as a result of the hydrogen bonded structure of the solution

  14. Gas adsorption, energetics and electronic properties of boron- and nitrogen-doped bilayer graphenes

    Energy Technology Data Exchange (ETDEWEB)

    Fujimoto, Yoshitaka, E-mail: fujimoto@stat.phys.titech.ac.jp [Department of Physics, Tokyo Institute of Technology, Oh-okayama, Meguro-ku, Tokyo 152-8551 (Japan); Saito, Susumu [Department of Physics, Tokyo Institute of Technology, Oh-okayama, Meguro-ku, Tokyo 152-8551 (Japan); International Research Center for Nanoscience and Quantum Physics, Tokyo Institute of Technology, 2-12-1 Oh-okayama, Meguro-ku, Tokyo 152-8551 (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa 226-8503 (Japan)

    2016-10-20

    We study stabilities and electronic properties of several environmental polluting or toxic gas molecules (CO, CO{sub 2}, NO, and NO{sub 2}) adsorbed on B and N atoms in bilayer graphene using first-principles electronic-structure calculations. We find that NO and NO{sub 2} molecules can be bound chemically on B-doped bilayer graphene with large adsorption energies, while CO and CO{sub 2} molecules are not adsorbed chemically on B-doped one. In the case of the N-doped graphene, all four gases do not bind with chemical bonds but adsorb rather physically with small adsorption energies at long distances between gases and graphene. The adsorptions of NO and NO{sub 2} molecules on B-doped bilayer graphene induce the acceptor states above the Fermi energy, and we also find that the charge transfer takes place when the NO and the NO{sub 2} molecules are adsorbed. Thereby, the B-doped bilayer graphene is expected to be useful for NO and NO{sub 2} gas sensor materials.

  15. Thermophysical properties of energetic ionic liquids/nitric acid mixtures: insights from molecular dynamics simulations.

    Science.gov (United States)

    Hooper, Justin B; Smith, Grant D; Bedrov, Dmitry

    2013-09-14

    Molecular dynamics (MD) simulations of mixtures of the room temperature ionic liquids (ILs) 1-butyl-4-methyl imidazolium [BMIM]/dicyanoamide [DCA] and [BMIM][NO3(-)] with HNO3 have been performed utilizing the polarizable, quantum chemistry based APPLE&P(®) potential. Experimentally it has been observed that [BMIM][DCA] exhibits hypergolic behavior when mixed with HNO3 while [BMIM][NO3(-)] does not. The structural, thermodynamic, and transport properties of the IL/HNO3 mixtures have been determined from equilibrium MD simulations over the entire composition range (pure IL to pure HNO3) based on bulk simulations. Additional (non-equilibrium) simulations of the composition profile for IL/HNO3 interfaces as a function of time have been utilized to estimate the composition dependent mutual diffusion coefficients for the mixtures. The latter have been employed in continuum-level simulations in order to examine the nature (composition and width) of the IL/HNO3 interfaces on the millisecond time scale.

  16. A DFT-D study of structural and energetic properties of TiO2 modifications

    International Nuclear Information System (INIS)

    Moellmann, Jonas; Ehrlich, Stephan; Tonner, Ralf; Grimme, Stefan

    2012-01-01

    The structures and relative energies of the three naturally occurring modifications of titanium dioxide (rutile, brookite and anatase) were investigated. For an accurate description, atom-pairwise dispersion-corrected density functional theory (DFT-D) was applied. The DFT-D3 scheme was extended non-empirically to improve the description of Ti atoms in bulk systems. New dispersion coefficients were derived from TDDFT calculations for electrostatically embedded TiO 2 clusters. The dispersion coefficient C 6 TiTi is reduced by a factor of 18 compared to the free atom. The three TiO 2 modifications were optimized in periodic plane-wave calculations with dispersion-corrected GGA (PBE, revPBE) and hybrid density functionals (PBE0, revPBE0). The calculated lattice parameters are in good agreement with experimental data, in particular the dispersion-corrected PBE0 and revPBE0 hybrid functionals. Although the observed relative stabilities could not be reproduced in all cases, dispersion corrections improve the results. For an accurate description of bulk metal oxides, London dispersion is a prominent force that should not be neglected when energies and structures are computed with DFT. Additionally, the influence of dispersion interactions on the relaxation of the TiO 2 (110) surface is investigated.

  17. Investigations on imaging properties of inorganic scintillation screens under irradiation with high energetic heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Lieberwirth, Alice

    2016-09-15

    This work represents the investigations in imagine properties of inorganic scintillation screens as diagnostic elements in heavy ion accelerator facilities, that were performed at GSI Helmholtz Centre for Heavy Ion Research (Darmstadt, Germany) and TU Darmstadt. The screen materials can be classified in groups of phosphor screens (P43 and P46 phosphor), single crystals (cerium-doped Y{sub 3}Al{sub 5}O{sub 12}) and polycrystalline aluminum oxides (pure and chromium-doped Al{sub 2}O{sub 3}). Out of these groups, a selection of seven screens were irradiated by five different projectiles (proton, nitrogen, nickel, xenon and uranium), that were extracted from SIS18 in fast (1 μs) and slow (300-400 ms) extraction mode at a specific energy of E{sub spec}=300 MeV/u. The number of irradiating particles per pulse was varied between 10{sup 7} and 2.10{sup 10} ppp and the scintillation response was recorded by a complex optical system. The records served on the one hand for investigations in the two-dimensional response to the irradiating beam, namely the light output L, the light yield Y and the characteristics of the beam profiles in horizontal and vertical direction. On the other hand the wavelength spectrum of the scintillation was recorded for investigations in variations of the material structure. A data analysis was performed based on a dedicated Python script. Additionally three conventional methods (UV/Vis transmission spectroscopy, X-Ray diffraction, Raman fluorescence spectroscopy) were performed after the beam times for investigations in the material structure. Nevertheless, neither structural variations nor material defects, induced by the ion irradiation, were proven within the accuracy range of the used instrumentation and the given ion fluences. Besides the irradiation under varying beam intensity, radiation hardness tests with fast and slow extracted Nickel pulses at 2.10{sup 9} ppp and a specific energy around E{sub spec}∼300 MeV/u were performed and the

  18. Tuning electronic and magnetic properties of GaN nanosheets by surface modifications and nanosheet thickness.

    Science.gov (United States)

    Xiao, Meixia; Yao, Tingzhen; Ao, Zhimin; Wei, Peng; Wang, Danghui; Song, Haiyang

    2015-04-14

    Density-functional theory calculations are performed to investigate the effects of surface modifications and nanosheet thickness on the electronic and magnetic properties of gallium nitride (GaN) nanosheets (NSs). Unlike the bare GaN NSs terminating with polar surfaces, the systems with hydrogenated Ga (H-GaN), fluorinated Ga (F-GaN), and chlorinated Ga (Cl-GaN) preserve their initial wurtzite structures and exhibit ferromagnetic states. The abovementioned three different decorations on Ga atoms are energetically more favorable for thicker GaN NSs. Moreover, as the thickness increases, H-GaN and F-GaN NSs undergo semiconductor to metal and half-metal to metal transition, respectively, while Cl-GaN NSs remain completely metallic. The predicted diverse and tunable electronic and magnetic properties highlight the potential of GaN NSs for novel electronic and spintronic nanodevices.

  19. Size- and shape-dependent surface thermodynamic properties of nanocrystals

    Science.gov (United States)

    Fu, Qingshan; Xue, Yongqiang; Cui, Zixiang

    2018-05-01

    As the fundamental properties, the surface thermodynamic properties of nanocrystals play a key role in the physical and chemical changes. However, it remains ambiguous about the quantitative influence regularities of size and shape on the surface thermodynamic properties of nanocrystals. Thus by introducing interface variables into the Gibbs energy and combining Young-Laplace equation, relations between the surface thermodynamic properties (surface Gibbs energy, surface enthalpy, surface entropy, surface energy and surface heat capacity), respectively, and size of nanocrystals with different shapes were derived. Theoretical estimations of the orders of the surface thermodynamic properties of nanocrystals agree with available experimental values. Calculated results of the surface thermodynamic properties of Au, Bi and Al nanocrystals suggest that when r > 10 nm, the surface thermodynamic properties linearly vary with the reciprocal of particle size, and when r < 10 nm, the effect of particle size on the surface thermodynamic properties becomes greater and deviates from linear variation. For nanocrystals with identical equivalent diameter, the more the shape deviates from sphere, the larger the surface thermodynamic properties (absolute value) are.

  20. Gas morphology and energetics at the surface of PDRs : New insights with Herschel observations of NGC 7023

    NARCIS (Netherlands)

    Joblin, C.; Pilleri, P.; Montillaud, J.; Fuente, A.; Gerin, M.; Berne, O.; Ossenkopf, V.; Le Bourlot, J.; Teyssier, D.; Goicoechea, J. R.; Le Petit, F.; Roellig, M.; Akyilmaz, M.; Benz, A. O.; Boulanger, F.; Bruderer, S.; Dedes, C.; France, K.; Guesten, R.; Harris, A.; Klein, T.; Kramer, C.; Lord, S. D.; Martin, P. G.; Martin-Pintado, J.; Mookerjea, B.; Okada, Y.; Phillips, T. G.; Rizzo, J. R.; Simon, R.; Stutzki, J.; van der Tak, F.; Yorke, H. W.; Steinmetz, E.; Jarchow, C.; Hartogh, P.; Honingh, C. E.; Siebertz, O.; Caux, E.; Colin, B.

    2010-01-01

    Context. We investigate the physics and chemistry of the gas and dust in dense photon-dominated regions (PDRs), along with their dependence on the illuminating UV field. Aims: Using Herschel/HIFI observations, we study the gas energetics in NGC 7023 in relation to the morphology of this nebula. NGC

  1. Correlation Analyses Between the Characteristic Times of Gradual Solar Energetic Particle Events and the Properties of Associated Coronal Mass Ejections

    Science.gov (United States)

    Pan, Z. H.; Wang, C. B.; Wang, Yuming; Xue, X. H.

    2011-06-01

    It is generally believed that gradual solar energetic particles (SEPs) are accelerated by shocks associated with coronal mass ejections (CMEs). Using an ice-cream cone model, the radial speed and angular width of 95 CMEs associated with SEP events during 1998 - 2002 are calculated from SOHO/LASCO observations. Then, we investigate the relationships between the kinematic properties of these CMEs and the characteristic times of the intensity-time profile of their accompanied SEP events observed at 1 AU. These characteristic times of SEP are i) the onset time from the accompanying CME eruption at the Sun to the SEP arrival at 1 AU, ii) the rise time from the SEP onset to the time when the SEP intensity is one-half of peak intensity, and iii) the duration over which the SEP intensity is within a factor of two of the peak intensity. It is found that the onset time has neither significant correlation with the radial speed nor with the angular width of the accompanying CME. For events that are poorly connected to the Earth, the SEP rise time and duration have no significant correlation with the radial speed and angular width of the associated CMEs. However, for events that are magnetically well connected to the Earth, the SEP rise time and duration have significantly positive correlations with the radial speed and angular width of the associated CMEs. This indicates that a CME event with wider angular width and higher speed may more easily drive a strong and wide shock near to the Earth-connected interplanetary magnetic field lines, may trap and accelerate particles for a longer time, and may lead to longer rise time and duration of the ensuing SEP event.

  2. Properties and origin of energetic particles at the duskside of the Earth's magnetosheath throughout a great storm

    Directory of Open Access Journals (Sweden)

    D. V. Sarafopoulos

    1999-09-01

    Full Text Available We study an interval of 56 h on January 16 to 18, 1995, during which the GEOTAIL spacecraft traversed the duskside magnetosheath from  X @ -15 to -40 RE and the EPIC/ICS and EPIC/STICS sensors sporadically detected tens of energetic particle bursts. This interval coincides with the expansion and growth of a great geomagnetic storm. The flux bursts are strongly dependent on the magnetic field orientation. They switch on whenever the Bz component approaches zero (Bz @ 0 nT. We strongly suggest a magnetospheric origin for the energetic ions and electrons streaming along these "exodus channels". The time profiles for energetic protons and "tracer" O+ ions are nearly identical, which suggests a common source. We suggest that the particles leak out of the magnetosphere all the time and that when the magnetosheath magnetic field connects the spacecraft to the magnetotail, they stream away to be observed by the GEOTAIL sensors. The energetic electron fluxes are not observed as commonly as the ions, indicating that their source is more limited in extent. In one case study the magnetosheath magnetic field lines are draped around the magnetopause within the YZ plane and a dispersed structure for peak fluxes of different species is detected and interpreted as evidence for energetic electrons leaking out from the dawn LLBL and then being channelled along the draped magnetic field lines over the magnetopause. Protons leak from the equatorial dusk LLBL and this spatial differentiation between electron and proton sources results in the observed dispersion. A gradient of energetic proton intensities toward the ZGSM = 0 plane is inferred. There is a permanent layer of energetic particles adjacent to the magnetosheath during this interval in which the dominant component of the magnetic field was Bz.Key words. Magnetospheric physics (magnetosheath; magnetotail boundary layers; storms and substorms

  3. Defect and structural imperfection effects on the electronic properties of BiTeI surfaces

    International Nuclear Information System (INIS)

    Fiedler, Sebastian; Seibel, Christoph; Lutz, Peter; Bentmann, Hendrik; Reinert, Friedrich; El-Kareh, Lydia; Bode, Matthias; Eremeev, Sergey V; Tereshchenko, Oleg E; Kokh, Konstantin A; Chulkov, Evgueni V; Kuznetsova, Tatyana V; Grebennikov, Vladimir I

    2014-01-01

    The surface electronic structure of the narrow-gap seminconductor BiTeI exhibits a large Rashba-splitting which strongly depends on the surface termination. Here we report on a detailed investigation of the surface morphology and electronic properties of cleaved BiTeI single crystals by scanning tunneling microscopy, photoelectron spectroscopy (ARPES, XPS), electron diffraction (SPA-LEED) and density functional theory calculations. Our measurements confirm a previously reported coexistence of Te- and I-terminated surface areas originating from bulk stacking faults and find a characteristic length scale of ∼100 nm for these areas. We show that the two terminations exhibit distinct types of atomic defects in the surface and subsurface layers. For electronic states resided on the I terminations we observe an energy shift depending on the time after cleavage. This aging effect is successfully mimicked by depositon of Cs adatoms found to accumulate on top of the I terminations. As shown theoretically on a microscopic scale, this preferential adsorbing behaviour results from considerably different energetics and surface diffusion lengths at the two terminations. Our investigations provide insight into the importance of structural imperfections as well as intrinsic and extrinsic defects on the electronic properties of BiTeI surfaces and their temporal stability. (paper)

  4. Energetic map

    International Nuclear Information System (INIS)

    2012-01-01

    This report explains the energetic map of Uruguay as well as the different systems that delimits political frontiers in the region. The electrical system importance is due to the electricity, oil and derived , natural gas, potential study, biofuels, wind and solar energy

  5. Theoretical studies of growth processes and electronic properties of nanostructures on surfaces

    Science.gov (United States)

    Mo, Yina

    Low dimensional nanostructures have been of particular interest because of their potential applications in both theoretical studies and industrial use. Although great efforts have been put into obtaining better understanding of the formation and properties of these materials, many questions still remain unanswered. This thesis work has focused on theoretical studies of (1) the growth processes of magnetic nanowires on transition-metal surfaces, (2) the dynamics of pentacene thin-film growth and island structures on inert surfaces, and (3) our proposal of a new type of semiconducting nanotube. In the first study, we elucidated a novel and intriguing kinetic pathway for the formation of Fe nanowires on the upper edge of a monatomic-layer-high step on Cu(111) using first-principles calculations. The identification of a hidden fundamental Fe basal line within the Cu steps prior to the formation of the apparent upper step edge Fe wire produces a totally different view of step-decorating wire structures and offers new possibilities for the study of the properties of these wires. Subsequent experiments with scanning tunneling microscopy unambiguously established the essential role of embedded Fe atoms as precursors to monatomic wire growth. A more general study of adatom behavior near transition-metal step edges illustrated a systematic trend in the adatom energetics and kinetics, resulted from the electronic interactions between the adatom and the surfaces. This work opens the possibility of controlled manufacturing of one-dimensional nanowires. In the second study, we investigated pentacene thin-films on H-diamond, H-silica and OH-silica surfaces via force field molecular dynamics simulations. Pentacene island structures on these surfaces were identified and found to have a 90-degree rotation relative to the structure proposed by some experimental groups. Our work may facilitate the design and control of experimental pentacene thin-film growth, and thus the development

  6. Ion beam application for improved polymer surface properties

    International Nuclear Information System (INIS)

    Lee, E.H.; Rao, G.R.; Lewis, M.B.; Mansur, L.K.

    1992-01-01

    Various polymeric materials were subjected to bombardment by different energetic ions with energies ranging from 200 to 1000 keV. Tests showed substantial improvements in hardness, wear resistance, oxidation resistance, resistance to chemicals, and electrical conductivity. The magnitude of property changes was strongly dependent upon ion species, energy, dose, and polymer structure. Both hardness and electrical conductivity increased with ion energy and dose. These properties were apparently related to the effectiveness of cross-linking. Ion species with a large electronic stopping cross-section are expected to produce more crosslinking. It is believed that the polymer property improvements are commensurate with the extent of crosslinking, which is responsible for the formation of three-dimensionally-connected, carbon-rich, rigid networks. 22 refs, 5 figs

  7. Properties and origin of energetic particles at the duskside of the Earth's magnetosheath throughout a great storm

    Directory of Open Access Journals (Sweden)

    D. V. Sarafopoulos

    Full Text Available We study an interval of 56 h on January 16 to 18, 1995, during which the GEOTAIL spacecraft traversed the duskside magnetosheath from 
    X @ -15 to -40 RE and the EPIC/ICS and EPIC/STICS sensors sporadically detected tens of energetic particle bursts. This interval coincides with the expansion and growth of a great geomagnetic storm. The flux bursts are strongly dependent on the magnetic field orientation. They switch on whenever the Bz component approaches zero (Bz @ 0 nT. We strongly suggest a magnetospheric origin for the energetic ions and electrons streaming along these "exodus channels". The time profiles for energetic protons and "tracer" O+ ions are nearly identical, which suggests a common source. We suggest that the particles leak out of the magnetosphere all the time and that when the magnetosheath magnetic field connects the spacecraft to the magnetotail, they stream away to be observed by the GEOTAIL sensors. The energetic electron fluxes are not observed as commonly as the ions, indicating that their source is more limited in extent. In one case study the magnetosheath magnetic field lines are draped around the magnetopause within the YZ plane and a dispersed structure for peak fluxes of different species is detected and interpreted as evidence for energetic electrons leaking out from the dawn LLBL and then being channelled along the draped magnetic field lines over the magnetopause. Protons leak from the equatorial dusk LLBL and this spatial differentiation between electron and proton sources results in the observed dispersion. A gradient of energetic proton intensities toward the ZGSM = 0 plane is inferred. There is a permanent layer of energetic particles adjacent to the magnetosheath during this interval in which the dominant component of the magnetic field was

  8. Surface elastic properties in silicon nanoparticles

    Science.gov (United States)

    Melis, Claudio; Giordano, Stefano; Colombo, Luciano

    2017-09-01

    The elastic behavior of the external surface of a solid body plays a key role in nanomechanical phenomena. While bulk elasticity enjoys the benefits of a robust theoretical understanding, many surface elasticity features remain unexplored: some of them are here addressed by blending together continuum elasticity and atomistic simulations. A suitable readdressing of the surface elasticity theory allows to write the balance equations in arbitrary curvilinear coordinates and to investigate the dependence of the surface elastic parameters on the mean and Gaussian curvatures of the surface. In particular, we predict the radial strain induced by surface effects in spherical and cylindrical silicon nanoparticles and provide evidence that the surface parameters are nearly independent of curvatures and, therefore, of the surface conformation.

  9. Electronic and structural properties of TiB2: Bulk, surface, and nanoscale effects

    International Nuclear Information System (INIS)

    Volonakis, George; Tsetseris, Leonidas; Logothetidis, Stergios

    2011-01-01

    Titanium diboride (TiB 2 ), is a widely used hard material that comprises graphene-like layers of B and intercalated Ti atoms. Here we report the results of extensive first-principles calculations on key properties of bulk TiB 2 , TiB 2 surfaces, and TiB 2 nanocrystals (NCs). The computational approach is first validated based on the agreement between calculated structural and electronic properties of bulk TiB 2 and available experimental and theoretical data. We then obtain the formation energies for several surface cuts and use these values to construct TiB 2 NCs based on the Wulff theorem. Finally, we demonstrate by studying the adsorption of small molecules that hydrogen and oxygen adatoms can be attached through strongly exothermic chemisorption reactions on TiB 2 surfaces. Likewise, water molecules bind on various TiB 2 surfaces and NC facets, with an energetic preference for the latter. The results are relevant to applications that depend on reactivity-related TiB 2 properties, for example resistance to corrosion and interactions with water-based solutions.

  10. Thermodynamic and surface properties of liquid Co–Cr–Ni alloys

    International Nuclear Information System (INIS)

    Costa, C.; Delsante, S.; Borzone, G.; Zivkovic, D.; Novakovic, R.

    2014-01-01

    Highlights: • The liquid phases of Co–Cr, Co–Ni and Cr–Ni were modelled by the Quasi Chemical Approximation for regular solutions. • The excess Gibbs free energy of mixing of the liquid Co–Cr–Ni phase is estimated by the three thermodynamic models. • Prediction of structure can compensate the lack of structural data of Co–Cr, Co–Ni and Cr–Ni melts. • Thermodynamic modelling of the surface properties of Co–Cr–Ni melts. • Weak effects of short range ordering among nearest neighbours in Co–Cr, Co–Ni and Cr–Ni liquid alloys can be deduced. -- Abstract: Direct measurements of bulk and surface properties of liquid alloys at elevated temperatures are often technically difficult or even impossible, and therefore, theoretical models can be used to estimate missing property values. The energetics of mixing in liquid Co–Cr, Cr–Ni and Co–Ni systems has been analysed through the study of the concentration dependence of various thermodynamic, surface (surface tension and surface composition) and structural properties (concentration fluctuations in the long-wavelength limit and chemical short-range order parameter) by the first or the Quasi-Chemical Approximation (QCA) for regular solutions, developed by Bhatia and Singh, in the framework of statistical mechanical theory in conjunction with the Quasi-Lattice Theory (QLT). The results obtained for these binary systems have been extended to study the thermodynamics and surface properties of ternary Co–Cr–Ni liquid alloys

  11. Plasma immersion ion implantation of polyurethane shape memory polymer: Surface properties and protein immobilization

    Science.gov (United States)

    Cheng, Xinying; Kondyurin, Alexey; Bao, Shisan; Bilek, Marcela M. M.; Ye, Lin

    2017-09-01

    Polyurethane-type shape memory polymers (SMPU) are promising biomedical implant materials due to their ability to recover to a predetermined shape from a temporary shape induced by thermal activation close to human body temperature and their advantageous mechanical properties including large recovery strains and low recovery stresses. Plasma Immersion Ion Implantation (PIII) is a surface modification process using energetic ions that generates radicals in polymer surfaces leading to carbonisation and oxidation and the ability to covalently immobilise proteins without the need for wet chemistry. Here we show that PIII treatment of SMPU significantly enhances its bioactivity making SMPU suitable for applications in permanent implantable biomedical devices. Scanning Electron Microscopy (SEM), contact angle measurements, surface energy measurements, attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS) were used to characterise the PIII modified surface, including its after treatment aging kinetics and its capability to covalently immobilise protein directly from solution. The results show a substantial improvement in wettability and dramatic changes of surface chemical composition dependent on treatment duration, due to the generation of radicals and subsequent oxidation. The SMPU surface, PIII treated for 200s, achieved a saturated level of covalently immobilized protein indicating that a full monolayer coverage was achieved. We conclude that PIII is a promising and efficient surface modification method to enhance the biocompatibility of SMPU for use in medical applications that demand bioactivity for tissue integration and stability in vivo.

  12. Flare energetics

    Science.gov (United States)

    Wu, S. T.; Dejager, C.; Dennis, B. R.; Hudson, H. S.; Simnett, G. M.; Strong, K. T.; Bentley, R. D.; Bornmann, P. L.; Bruner, M. E.; Cargill, P. J.

    1986-01-01

    In this investigation of flare energetics, researchers sought to establish a comprehensive and self-consistent picture of the sources and transport of energy within a flare. To achieve this goal, they chose five flares in 1980 that were well observed with instruments on the Solar Maximum Mission, and with other space-borne and ground-based instruments. The events were chosen to represent various types of flares. Details of the observations available for them and the corresponding physical parameters derived from these data are presented. The flares were studied from two perspectives, the impulsive and gradual phases, and then the results were compared to obtain the overall picture of the energics of these flares. The role that modeling can play in estimating the total energy of a flare when the observationally determined parameters are used as the input to a numerical model is discussed. Finally, a critique of the current understanding of flare energetics and the methods used to determine various energetics terms is outlined, and possible future directions of research in this area are suggested.

  13. Laser modification of macroscopic properties of metal surface layer

    Science.gov (United States)

    Kostrubiec, Franciszek

    1995-03-01

    Surface laser treatment of metals comprises a number of diversified technological operations out of which the following can be considered the most common: oxidation and rendering surfaces amorphous, surface hardening of steel, modification of selected physical properties of metal surface layers. In the paper basic results of laser treatment of a group of metals used as base materials for electric contacts have been presented. The aim of the study was to test the usability of laser treatment from the viewpoint of requirements imposed on materials for electric contacts. The results presented in the paper refer to two different surface treatment technologies: (1) modification of infusible metal surface layer: tungsten and molybdenum through laser fusing of their surface layer and its crystallization, and (2) modification of surface layer properties of other metals through laser doping of their surface layer with foreign elements. In the paper a number of results of experimental investigations obtained by the team under the author's supervision are presented.

  14. Probing Anisotropic Surface Properties of Molybdenite by Direct Force Measurements.

    Science.gov (United States)

    Lu, Zhenzhen; Liu, Qingxia; Xu, Zhenghe; Zeng, Hongbo

    2015-10-27

    Probing anisotropic surface properties of layer-type mineral is fundamentally important in understanding its surface charge and wettability for a variety of applications. In this study, the surface properties of the face and the edge surfaces of natural molybdenite (MoS2) were investigated by direct surface force measurements using atomic force microscope (AFM). The interaction forces between the AFM tip (Si3N4) and face or edge surface of molybdenite were measured in 10 mM NaCl solutions at various pHs. The force profiles were well-fitted with classical DLVO (Derjaguin-Landau-Verwey-Overbeek) theory to determine the surface potentials of the face and the edge surfaces of molybdenite. The surface potentials of both the face and edge surfaces become more negative with increasing pH. At neutral and alkaline conditions, the edge surface exhibits more negative surface potential than the face surface, which is possibly due to molybdate and hydromolybdate ions on the edge surface. The point of zero charge (PZC) of the edge surface was determined around pH 3 while PZC of the face surface was not observed in the range of pH 3-11. The interaction forces between octadecyltrichlorosilane-treated AFM tip (OTS-tip) and face or edge surface of molybdenite were also measured at various pHs to study the wettability of molybdenite surfaces. An attractive force between the OTS-tip and the face surface was detected. The force profiles were well-fitted by considering DLVO forces and additional hydrophobic force. Our results suggest the hydrophobic feature of the face surface of molybdenite. In contrast, no attractive force between the OTS-tip and the edge surface was detected. This is the first study in directly measuring surface charge and wettability of the pristine face and edge surfaces of molybdenite through surface force measurements.

  15. SURFACE PROPERTIES AND CATALYTIC PERFORMANCE OF Pt ...

    African Journals Online (AJOL)

    various temperatures of precipitates obtained from aqueous solutions in the ... The oxidation reactivity of VOCs is in the following order: alcohols > aldheydes > aromatics ... Specific surface areas (SSA) were calculated by the BET method from ...

  16. Electrochemical Properties of Alkanethiol Monolayers Adsorbed on Nanoporous Au Surfaces

    International Nuclear Information System (INIS)

    Chu, Yeon Yi; Seo, Bora; Kim, Jong Won

    2010-01-01

    We investigated the electrochemical properties of alkanethiol monolayers adsorbed on NPG surfaces by cyclic voltammetry and electrochemical impedance spectroscopy, and the results are compared to those on flat Au surfaces. The reductive desorption of alkanethiols on NPG surfaces is observed in more negative potential regions than that on flat Au surfaces due the stronger S-Au interaction on NPG surfaces. While the electron transfer through alkanethiol monolayers on flat Au surfaces occurs via a tunneling process through the monolayer films, the redox species can permeate through the monolayers on NPG surfaces to transfer the electrons to the Au surfaces. The results presented here will help to elucidate the intrinsic electrochemical properties of alkanethiol monolayers adsorbed on curved Au surfaces, particularly on the surface of AuNPs. Self-assembled monolayers (SAMs) of thiolate molecules on Au surfaces have been the subject of intensive research for the last few decades due to their unique physical and chemical properties. The well-organized surface structures of thiolate SAMs with various end-group functionalities can be further utilized for many applications in biology and nanotechnology. In addition to the practical applications, SAMs of thiolate molecules on Au surfaces also provide unique opportunities to address fundamental issues in surface chemistry such as self-organized surface structures, electron transfer behaviors, and moleculesubstrate interactions. Although there have been numerous reports on the fundamental physical and chemical properties of thiolate SAMs on Au surfaces, most of them were investigated on flat Au surfaces, typically on well-defined Au(111) surfaces

  17. Antifouling polymer brushes displaying antithrombogenic surface properties

    Czech Academy of Sciences Publication Activity Database

    de los Santos Pereira, Andres; Sheikh, S.; Blaszykowski, C.; Pop-Georgievski, Ognen; Fedorov, K.; Thompson, M.; Rodriguez-Emmenegger, Cesar

    2016-01-01

    Roč. 17, č. 3 (2016), s. 1179-1185 ISSN 1525-7797 R&D Projects: GA ČR(CZ) GJ15-09368Y; GA MŠk(CZ) ED1.1.00/02.0109 Grant - others:OPPK(XE) CZ.2.16/3.1.00/21545 Program:OPPK Institutional support: RVO:61389013 Keywords : polymer brushes * surface characterization * antifouling surfaces Subject RIV: BO - Biophysics Impact factor: 5.246, year: 2016

  18. Tuning antimicrobial properties of biomimetic nanopatterned surfaces.

    Science.gov (United States)

    Michalska, Martyna; Gambacorta, Francesca; Divan, Ralu; Aranson, Igor S; Sokolov, Andrey; Noirot, Philippe; Laible, Philip D

    2018-04-05

    Nature has amassed an impressive array of structures that afford protection from microbial colonization/infection when displayed on the exterior surfaces of organisms. Here, controlled variation of the features of mimetics derived from etched silicon allows for tuning of their antimicrobial efficacy. Materials with nanopillars up to 7 μm in length are extremely effective against a wide range of microbial species and exceed the performance of natural surfaces; in contrast, materials with shorter/blunter nanopillars (<2 μm) selectively killed specific species. Using a combination of microscopies, the mechanisms by which bacteria are killed are demonstrated, emphasizing the dependence upon pillar density and tip geometry. Additionally, real-time imaging reveals how cells are immobilized and killed rapidly. Generic or selective protection from microbial colonization could be conferred to surfaces [for, e.g., internal medicine, implants (joint, dental, and cosmetic), food preparation, and the agricultural industry] patterned with these materials as coatings.

  19. First-Principles Study on the Adsorption Properties of Transition-Metal Atoms on CaO(001) Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Byung Deok [University of Seoul, Seoul (Korea, Republic of); Jang, Young-Rok [Incheon National University, Incheon (Korea, Republic of)

    2017-03-15

    By using first-principles electronic-structure calculations based on the density functional theory, we systematically investigated the adsorption properties of transition-metal (TM) adatoms on CaO(001) surfaces. Optimized adsorption structures and energetics of TM adatoms on CaO(001) are reported for various adsorption structures. The results are different from those of TM adatoms on MgO(001). Concomitantly, this suggests different dynamical properties of TM adatoms on CaO(001) surfaces as compared with TM adatoms on MgO(001) surfaces. Also performed was an analysis of the electronic structures of the TM adatoms on CaO(001) by using the energy positions of the adsorbate states with respect to the valence band maximum of CaO. The results are discussed in connection with the charge states of the TM adatoms on doped CaO(001).

  20. Manganese phospate physical chemistry and surface properties

    International Nuclear Information System (INIS)

    Najera R, N.; Romero G, E. T.

    2008-01-01

    This paper presents the methodology for the manganese phosphate (III) synthesis (MnP0 4 H 2 0) from manganese chloride. The physicochemical characterization was carried out by: X-ray diffraction, scanning electron microscopy, infrared analysis and thermal gravimetric analysis. The surface characterization is obtained through the determination of surface area, point of zero charge and kinetics of moisture. As a phosphate compound of a metal with low oxidation state is a promising compound for removal pollutants from water and soil, can be used for the potential construction of containment barriers for radioactive wastes. (Author)

  1. Composition and physical properties of Enceladus' surface

    Science.gov (United States)

    Brown, R.H.; Clark, R.N.; Buratti, B.J.; Cruikshank, D.P.; Barnes, J.W.; Mastrapa, R.M.E.; Bauer, J.; Newman, S.; Momary, T.; Baines, K.H.; Bellucci, G.; Capaccioni, F.; Cerroni, P.; Combes, M.; Coradini, A.; Drossart, P.; Formisano, V.; Jaumann, R.; Langavin, Y.; Matson, D.L.; McCord, T.B.; Nelson, R.M.; Nicholson, P.D.; Sicardy, B.; Sotin, Christophe

    2006-01-01

    Observations of Saturn's satellite Enceladus using Cassini's Visual and Infrared Mapping Spectrometer instrument were obtained during three flybys of Enceladus in 2005. Enceladus' surface is composed mostly of nearly pure water ice except near its south pole, where there are light organics, CO2, and amorphous and crystalline water ice, particularly in the region dubbed the "tiger stripes." An upper limit of 5 precipitable nanometers is derived for CO in the atmospheric column above Enceladus, and 2% for NH 3 in global surface deposits. Upper limits of 140 kelvin (for a filled pixel) are derived for the temperatures in the tiger stripes.

  2. Structural and electronic properties of hydrosilylated silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Baumer, A.

    2005-11-15

    The structural and electronic properties of alkyl-terminated Si surfaces prepared by thermallyinduced hydrosilylation have been studied in detail in the preceding chapters. Various surfaces have been used for the functionalization ranging from crystalline Si over amorphous hydrogenated Si to nanoscaled materials such as Si nanowires and nanoparticles. In each case, the alkyl-terminated surfaces have been compared to the native oxidized and H-terminated surfaces. (orig.)

  3. Surface properties of semi-infinite Fermi systems

    International Nuclear Information System (INIS)

    Campi, X.; Stringari, S.

    1979-10-01

    A functional relation between the kinetic energy density and the total density is used to analyse the surface properties of semi-infinite Fermi systems. One find an explicit expression for the surface thickness in which the role of the infinite matter compressibility, binding energy and non-locality effects is clearly shown. The method, which holds both for nuclear and electronic systems (liquid metals), yields a very simple relation between the surface thickness and the surface energy

  4. Adsorption Properties of the Cu(115) Surface

    DEFF Research Database (Denmark)

    Godowski, P. J.; Groso, A.; Hoffmann, S. V.

    2010-01-01

    The interfaces: K/Cu(115) and CO/Cu(115) have been characterized using surface sensitive techniques, including low energy electron diffraction and photoelectron spectroscopy. K adatoms show tendency to occupy the sites close to the step edges. At low temperature (near 125 K), after completion of ...

  5. Wetting Properties of Molecularly Rough Surfaces

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Martin; Malijevský, Alexandr; Lísal, Martin

    2015-01-01

    Roč. 143, č. 10 (2015), s. 104701 ISSN 0021-9606 R&D Projects: GA ČR GA13-09914S; GA MŠk LH12020 Institutional support: RVO:67985858 Keywords : contant-angle * solid-surface * dynamics Subject RIV: BJ - Thermodynamics Impact factor: 2.894, year: 2015

  6. A single molecule approach for measuring the transport properties and energetics of membrane proteins in heterogeneous planar bio-mimetic assemblies

    Science.gov (United States)

    Poudel, Kumud Raj

    proteins. This deliberate contrast was created in order to provide a complete outlook into the transport properties and energetics of these crucial biological components in planar, heterogeneous bio-mimetic assemblies.

  7. Sputtering properties of tungsten 'fuzzy' surfaces

    International Nuclear Information System (INIS)

    Nishijima, D.; Baldwin, M.J.; Doerner, R.P.; Yu, J.H.

    2011-01-01

    Sputtering yields of He-induced W 'fuzzy' surfaces bombarded by Ar have been measured in the linear divertor plasma simulator PISCES-B. It is found that the sputtering yield of a fuzzy surface, Y fuzzy , decreases with increasing fuzzy layer thickness, L, and saturates at ∼10% of that of a smooth surface, Y smooth , at L > 1 μm. The reduction in the sputtering yield is suspected to be due mainly to the porous structure of fuzz, since the ratio, Y fuzzy /Y smooth follows (1 - p fuzz ), where p fuzz is the fuzz porosity. Further, Y fuzzy /Y smooth is observed to increase with incident ion energy, E i . This may be explained by an energy dependent change in the angular distribution of sputtered W atoms, since at lower E i , the angular distribution is observed to become more butterfly-shaped. That is, a larger fraction of sputtered W atoms can line-of-sight deposit/stick onto neighboring fuzz nanostructures for lower E i butterfly distributions, resulting in lower ratio of Y fuzzy /Y smooth .

  8. Low temperature self-cleaning properties of superhydrophobic surfaces

    Science.gov (United States)

    Wang, Fajun; Shen, Taohua; Li, Changquan; Li, Wen; Yan, Guilong

    2014-10-01

    Outdoor surfaces are usually dirty surfaces. Ice accretion on outdoor surfaces could lead to serious accidents. In the present work, the superhydrophobic surface based on 1H, 1H, 2H, 2H-Perfluorodecanethiol (PFDT) modified Ag/PDMS composite was prepared to investigate the anti-icing property and self-cleaning property at temperatures below freezing point. The superhydrophobic surface was deliberately polluted with activated carbon before testing. It was observed that water droplet picked up dusts on the cold superhydrophobic surface and took it away without freezing at a measuring temperature of -10 °C. While on a smooth PFDT surface and a rough surface base on Ag/PDMS composite without PFDT modification, water droplets accumulated and then froze quickly at the same temperature. However, at even lower temperature of -12 °C, the superhydrophobic surface could not prevent the surface water from icing. In addition, it was observed that the frost layer condensed from the moisture pay an important role in determining the low temperature self-cleaning properties of a superhydrophobic surface.

  9. Surface morphology, structural and electrical properties of RF ...

    Indian Academy of Sciences (India)

    5

    electrical properties of RF sputtered ITO thin films deposited onto Si(100). .... scanning electron microscopy (SEM) surface images are shown along with the cross- ..... annealing effect”, J. of Alloys and Compounds 509, (2011) 6072-6076.

  10. Pseudopotentials for calculating the bulk and surface properties of solids

    International Nuclear Information System (INIS)

    Cohen, M.L.

    1983-01-01

    A survey is presented describing research in condensed matter physics using pseudopotentials to calculate electronic, structural, and vibrational properties of solids. Semiconductors are emphasized, and both bulk and surface calculations are discussed. (author) [pt

  11. Interaction of silicene with β-Si3N4(0001)/Si(111) substrate; energetics and electronic properties

    International Nuclear Information System (INIS)

    Filippone, Francesco

    2014-01-01

    The free-standing, quasi-2D layer of Si is known as silicene, in analogy with graphene. Much effort is devoted in the study of silicene, since, similarly to graphene, it shows a very high electron mobility. The interaction of silicene with a hybrid substrate, β-Si 3 N 4 (0001)/Si(111), exposing the β-Si 3 N 4 (0001) surface, has been studied by means of Density Functional calculations, with van der Waals interactions included. Once deepened the most important structural and electronic features of the hybrid substrate, we demonstrated that an electron transfer occurs from the substrate to the silicene layer. In turn, such an electron transfer can be modulated by the doping of the substrate. The β-Si 3 N 4 /silicene interaction appears to be strong enough to ensure adequate adsorption stability. It is also shown that electronic states of substrate and adsorbate still remain decoupled, paving the way for the exploitation of the peculiar electron mobility properties of the silicene layer. A detailed analysis in both direct and reciprocal space is reported. (paper)

  12. Tailoring Silica Surface Properties by Plasma Polymerization for Elastomer Applications

    NARCIS (Netherlands)

    Tiwari, M.; Dierkes, Wilma K.; Datta, Rabin; Talma, Auke; Noordermeer, Jacobus W.M.; van Ooij, W.J.

    2009-01-01

    The surface properties of reinforcing fillers are a crucial factor for dispersion and filler–polymer interaction in rubber compounds, as they strongly influence the final vulcanized properties of the rubber article. Silica is gaining more and more importance as reinforcing filler for rubbers, as it

  13. Tailoring Silica Surface Properties by Plasma Polymerization for Elastomer Applications

    NARCIS (Netherlands)

    Tiwari, M.; Dierkes, W.K.; Datta, R.N.; Talma, A.G.; Noordermeer, J.W.M.; van Ooij, W.J.

    2011-01-01

    The surface properties of reinforcing fillers are a crucial factor for dispersion and filler–polymer interaction in rubber compounds, as they strongly influence the final vulcanized properties of the rubber article. Silica is gaining more and more importance as reinforcing filler for rubbers, as it

  14. Cutting and machining energetic materials with a femtosecond laser

    Energy Technology Data Exchange (ETDEWEB)

    Roeske, Frank; Benterou, Jerry; Lee, Ronald; Roos, Edward [Energetic Materials Center, Lawrence Livermore National Laboratory, P. O. Box 808, Livermore, CA 94550 (United States)

    2003-04-01

    A femtosecond (fs) laser has been used as a tool for solving many problems involving access, machining, disassembly, inspection and avoidance of undesirable hazardous waste streams in systems containing energetic materials. Because of the unique properties of the interaction of ultrashort laser pulses with matter, the femtosecond laser can be used to safely cut these energetic materials in a precise manner without creating an unacceptable waste stream. Many types of secondary high explosives (HE) and propellants have been cut with the laser for a variety of applications ranging from disassembly of aging conventional weapons (demilitarization), inspection of energetic components of aging systems to creating unique shapes of HE for purposes of initiation and detonation physics studies. Hundreds of samples of energetic materials have been cut with the fs laser without ignition and, in most cases, without changing the surface morphology of the cut surfaces. The laser has also been useful in cutting nonenergetic components in close proximity to energetic materials. (Abstract Copyright [2003], Wiley Periodicals, Inc.)

  15. Laser alloying of aluminium to improve surface properties - MSSA 2010

    CSIR Research Space (South Africa)

    Mabhali, Luyolo AB

    2010-07-01

    Full Text Available and microstructure of the surface without affecting the bulk properties of the material. The process involves melting the substrate surface and injecting the powder of the alloying material into the melt pool. Process parameters such as laser power, beam spot size...

  16. The Charged Particle Environment on the Surface of Mars induced by Solar Energetic Particles - Five Years of Measurements with the MSL/RAD instrument

    Science.gov (United States)

    Ehresmann, B.; Hassler, D.; Zeitlin, C.; Guo, J.; Lee, C. O.; Wimmer-Schweingruber, R. F.; Appel, J. K.; Boehm, E.; Boettcher, S. I.; Brinza, D. E.; Burmeister, S.; Lohf, H.; Martin-Garcia, C.; Matthiae, D.; Rafkin, S. C.; Reitz, G.

    2017-12-01

    NASA's Mars Science Laboratory (MSL) mission has now been operating in Gale crater on the surface of Mars for five years. On board MSL, the Radiation Assessment Detector (MSL/RAD) is measuring the Martian surface radiation environment, providing insights on its intensity and composition. This radiation field is mainly composed of primary Galactic Cosmic Rays (GCRs) and secondary particles created by the GCRs' interactions with the Martian atmosphere and soil. However, on shorter time scales the radiation environment can be dominated by contributions from Solar Energetic Particle (SEP) events. Due to the modulating effect of the Martian atmosphere shape and intensity of these SEP spectra will differ significantly between interplanetary space and the Martian surface. Understanding how SEP events influence the surface radiation field is crucial to assess associated health risks for potential human missions to Mars. Here, we present updated MSL/RAD results for charged particle fluxes measured on the surface during SEP activity from the five years of MSL operations on Mars. The presented results incorporate updated analysis techniques for the MSL/RAD data and yield the most robust particle spectra to date. Furthermore, we compare the MSL/RAD SEP-induced fluxes to measurements from other spacecraft in the inner heliosphere and, in particular, in Martian orbit. Analyzing changes of SEP intensities from interplanetary space to the Martian surface gives insight into the modulating effect of the Martian atmosphere, while comparing timing profiles of SEP events between Mars and different points in interplanetary space can increase our understanding of SEP propagation in the heliosphere.

  17. Surface properties and microporosity of polyhydroxybutyrate under scanning electron microscopy

    International Nuclear Information System (INIS)

    Raouf, A.A.; Samsudin, A.R.; Samian, R.; Akool, K.; Abdullah, N.

    2004-01-01

    This study was designed to investigate the surface properties especially surface porosity of polyhydroxybutyrate (PHB) using scanning electron microscopy. PHB granules were sprinkled on the double-sided sticky tape attached on a SEM aluminium stub and sputtered with gold (10nm thickness) in a Polaron SC515 Coater, following which the samples were placed into the SEM specimen chamber for viewing and recording. Scanning electron micrographs with different magnification of PHB surface revealed multiple pores with different sizes. (Author)

  18. Using surfaces, ligands, and dimensionality to obtain desired nanostructure properties

    Science.gov (United States)

    Nagpal, Prashant; Singh, Vivek; Ding, Yuchen

    2014-03-01

    Nanostructured materials are intensively investigated to obtain material properties different from their bulk counterparts. It has been demonstrated that nanoscaled semiconductor can have interesting size, shape and morphology dependent optoelectronic properties. But the effect of surfaces, ligands and dimensionality (0D quantum dots to 2D nanosheets) has been largely unexplored. Here, we will show how tuning the surface and dimensionality can affect the electronic states of the semiconductor, and how these states can play an important role in their fundamental photophysical properties or thermal transport. Using the specific case for silicon, we will show how ``new'' surface states in small uniform can lead to light absorption/emission without phonon assistance, while hindering the phonon-drag of charge carriers leading to low Seebeck coefficient for thermoelectric applications. These measurements will shed light on designing appropriate surface, size, and dimensionality for desired applications of nanostructured films.

  19. Oleophobic properties of the step-and-terrace sapphire surface

    Energy Technology Data Exchange (ETDEWEB)

    Muslimov, A. E., E-mail: amuslimov@mail.ru; Butashin, A. V.; Kanevsky, V. M. [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Research Center “Crystallography and Photonics” (Russian Federation)

    2017-03-15

    Sapphire is widely used in production of optical windows for various devices due to its mechanical and optical properties. However, during operation the surface can be affected by fats, oils, and other organic contaminations. Therefore, it is important to improve the oleophobic properties of sapphire windows. In this study, we investigate the interaction of a supersmooth sapphire surface with oleic acid droplets, which imitate human finger printing. It is established that chemical–mechanical polishing with additional annealing in air, which leads to the formation of an atomically smooth sapphire surface, makes it possible to significantly improve the oleophobic properties of the surface. The results are analyzed using the Ventsel–Deryagin homogeneous wetting model.

  20. Probing the conformational energetics of alkyl thiols on gold surfaces by means of a morphing/steering non-equilibrium tool.

    Science.gov (United States)

    Piserchia, Andrea; Zerbetto, Mirco; Frezzato, Diego

    2015-03-28

    In this work we show that a non-equilibrium statistical tool based on Jarzynski's equality (JE) can be applied to achieve a sufficiently accurate mapping of the torsion free energy, bond-by-bond, for an alkyl thiol ligand tethered to a gold surface and sensing the presence of the surrounding cluster of similar chains. The strength of our approach is the employment of a strategy to let grow the internal energetics of the whole system (namely, the "energy morphing" stage recently presented by us in J. Comput. Chem., 2014, 35, 1865-1881) before initiating the rotational steering, which yields accurate results in terms of statistical uncertainties and bias on the free energy profiles. The work is mainly methodological and illustrates the feasibility of this kind of inspection on nanoscale molecular clusters with conformational flexibility. The outcomes for the archetype of self-assembled-monolayers considered here, a regular pattern of 10-carbon alkyl thiols on an ideal gold surface, give information on the conformational mobility of the ligands. Notably, such information is unlikely to be obtained by means of standard equilibrium techniques or by conventional molecular dynamics simulations.

  1. Adsorption properties of AlN on Si(111) surface: A density functional study

    Science.gov (United States)

    Yuan, Yinmei; Zuo, Ran; Mao, Keke; Tang, Binlong; Zhang, Zhou; Liu, Jun; Zhong, Tingting

    2018-04-01

    In the process of preparing GaN on Si substrate by MOCVD, an AlN buffer layer is very important. In this study, we conducted density functional theory calculations on the adsorption of AlN molecule on Si(111)-(2 × 2) surface, with the AlN molecule located horizontally or vertically above Si(111) surface at different adsorption sites. The calculations revealed that the lowest adsorption energy was at the N-top-Al-bridge site in the horizontal configuration, with the narrowest band gap, indicating that it was the most preferential adsorption growth status of AlN. In the vertical configurations, N adatom was more reactive and convenient to form bonds with the topmost Si atoms than Al adatom. When the N-end of the AlN molecule was located downward, the hollow site was the preferred adsorption site; when the Al-end was located downward, the bridge site was the most energetically favorable. Moreover, we investigated some electronic properties such as partial density of states, electron density difference, Mulliken populations, etc., revealing the microscale mechanism for AlN adsorption on Si(111) surface and providing theoretical support for adjusting the processing parameters during AlN or GaN production.

  2. Surface properties of activated carbon treated by cold plasma heating

    Energy Technology Data Exchange (ETDEWEB)

    Norikazu, Kurano [Shigematsu works Co. Ltd., 267 Yashita, Iwatsuki 3390046 (Japan); Yamada, Hiroshi [Shigematsu works Co. Ltd., 267 Yashita, Iwatsuki 3390046 (Japan); Yajima, Tatsuhiko [Faculty of Engineering, Saitama Institute of Technology, 1690 Fusoiji, Okabe 3690293 (Japan); Sugiyama, Kazuo [Faculty of Engineering, Saitama University, 255 Shimo-okubo, Sakura-Ku, Saitama 3388570 (Japan)]. E-mail: sugi@apc.saitama-u.ac.jp

    2007-03-12

    To modify the surface properties of activated carbon powders, we have applied the cold plasma treatment method. The cold plasma was used to be generated in the evacuated reactor vessel by 2.45 GHz microwave irradiation. In this paper, changes of surface properties such as distribution of acidic functional groups and roughness morphology were examined. By the cold plasma treatment, activated carbons with large specific surface area of ca. 2000 m{sup 2}/g or more could be prepared in a minute. The amount of every gaseous organic compound adsorbed on the unit gram of treated activated carbons was more increased that on the unit gram of untreated carbons. Especially, the adsorbed amount of carbon disulfide was remarkably increased even if it was compared by the amount per unit surface area. These results suggest that the surface property of the sample was modified by the plasma treatment. It became apparent by observing SEM photographs that dust and impure particles in macropores of activated carbons were far more reduced by the plasma treatment than by the conventional heating in an electric furnace under vacuum. In addition, a bubble-like surface morphology of the sample was observed by AEM measurement. The amount of acidic functional groups at the surface was determined by using the Boehm's titration method. Consequently, the increase of lactone groups and the decrease of carboxyl groups were also observed.

  3. Modification of Textile Materials' Surface Properties Using Chemical Softener

    Directory of Open Access Journals (Sweden)

    Jurgita KOŽENIAUSKIENĖ

    2011-03-01

    Full Text Available In the present study the effect of technological treatment involving the processes of washing or washing and softening with chemical cationic softener "Surcase" produced in Great Britain on the surface properties of cellulosic textile materials manufactured from cotton, bamboo and viscose spun yarns was investigated. The changes in textile materials surface properties were evaluated using KTU-Griff-Tester device and FEI Quanta 200 FEG scanning electron microscope (SEM. It was observed that the worst hand properties and the higher surface roughness are observed of cotton materials if compared with those of bamboo and viscose materials. Also, it was shown that depending on the material structure the handle parameters of knitted materials are the better than the ones of woven fabrics.http://dx.doi.org/10.5755/j01.ms.17.1.249

  4. Investigation of the surface adsorption and biotribological properties of mucins

    DEFF Research Database (Denmark)

    Madsen, Jan Busk

    to a surface. However, in other instances the inverse properties are desirable. Mucins are found on epithelial surfaces throughout the body and are a key component of the mucus barrier. Here, they facilitate friction reduction, thus lowering the impact of physical abrasions, but they also act as a physical...... charge due to the oligosaccharides being capped by negatively charged species such as sialic acid or sulphate groups. Mucins display phenotypic diversion according to their expression site. This is most pronounced in the oligosaccharide composition of the central domains. The amphiphilic nature of mucins...... and their aqueous lubrication properties have led to them being proposed as possible biocompatible lubricants. In this thesis, we investigate the biotribological properties of two commercially available mucins on the soft, elastomeric and hydrophobic surface of PDMS under different conditions. Due to the presence...

  5. Effective modification of particle surface properties using ultrasonic water mist

    DEFF Research Database (Denmark)

    Genina, Natalja; Räikkönen, Heikki; Heinämäki, Jyrki

    2009-01-01

    The goal of the present study was to design a new technique to modify particle surface properties and, through that, to improve flowability of poorly flowing drug thiamine hydrochloride and pharmaceutical sugar lactose monohydrate of two different grades. The powdered particles were supplied...... properties. It was found that rapid exposition of pharmaceutical materials by water mist resulted in the improvement of powder technical properties. The evident changes in flowability of coarser lactose were obviously due to smoothing of particle surface and decreasing in the level of fines with very slight...... increment in particle size. The changes in thiamine powder flow were mainly due to narrowing in particle size distribution where the tendency for better flow of finer lactose was related to surface and size modifications. The aqueous mist application did not cause any alteration of the crystal structures...

  6. Theoretical insights into the energetics and electronic properties of MPt{sub 12} (M = Fe, Co, Ni, Cu, and Pd) nanoparticles supported by N-doped defective graphene

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qing [Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing, 100875 (China); Tian, Yu [College of Chemistry and Chemical Engineering, Harbin Normal University, Harbin, 150025 (China); Chen, Guangju, E-mail: gjchen@bnu.edu.cn [Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing, 100875 (China); Zhao, Jingxiang, E-mail: xjz_hmily@163.com [College of Chemistry and Chemical Engineering, Harbin Normal University, Harbin, 150025 (China)

    2017-03-01

    Highlights: • We studied the deposition of several Pt-based alloy NPs on N-doped defective graphene. • The N-doped graphene can provide anchoring site for Pt-based NPs. • The electronic properties of Pt-based NPs have been greatly modified. • The catalytic properties of Pt-based NPs can be enhanced. - Abstract: Enhancing the catalytic activity and decreasing the usage of Pt catalysts has been a major target in widening their applications for developing proton-exchange membrane fuel cells. In this work, the adsorption energetics, structural features, and electronic properties of several MPt{sub 12} (M = Fe, Co, Ni, Cu, and Pd) nanoparticles (NPs) deposited on N-doped defective graphene were systemically explored by means of comprehensive density functional theory (DFT) computations. The computations revealed that the defective N-doped graphene substrate can provide anchoring site for these Pt-based alloying NPs due to their strong hybridization with the sp{sup 2} dangling bonds at the defect sites of substrate. Especially, these deposited MPt{sub 12} NPs exhibit reduced magnetic moment and their average d-band centers are shifted away from the Fermi level, as compared with the freestanding NPs, leading to the reduction of the adsorption energies of the O species. Thus, the defective N-doped graphene substrate not only enhances the stability of the deposited MPt{sub 12} NPs, but also endows them higher catalytic performance for the oxygen reduction reaction.

  7. Determination of Surface Properties of Liquid Transition Metals

    International Nuclear Information System (INIS)

    Korkmaz, S. D.

    2008-01-01

    Certain surface properties of liquid simple metals are reported. Using the expression derived by Gosh and coworkers we investigated the surface entropy of liquid transition metals namely Fe, Co and Ni. We have also computed surface tensions of the metals concerned. The pair distribution functions are calculated from the solution of Ornstein-Zernike integral equation with Rogers-Young closure using the individual version of the electron-ion potential proposed by Fioalhais and coworkers which was originally developed for solid state. The predicted values of surface tension and surface entropy are in very good agreement with available experimental data. The present study results show that the expression derived by Gosh and coworkers is very useful for the surface entropy by using Fioalhais pseudopotential and Rogers-Young closure

  8. Furan interaction with the Si(001)-(2 x 2) surface: structural, energetics, and vibrational spectra from first-principles

    International Nuclear Information System (INIS)

    Miotto, R; Ferraz, A C

    2009-01-01

    In this work we employ the state of the art pseudopotential method, within a generalized gradient approximation to the density functional theory, to investigate the adsorption process of furan on the silicon (001) surface. A direct comparison of different adsorption structures with x-ray photoelectron spectroscopy (XPS), ultra-violet photoelectron spectroscopy (UPS), high resolution electron energy loss spectroscopy (HREELS), near edge x-ray absorption fine structure (NEXAFS), and high resolution spectroscopy experimental data allows us to identify the [4+2 ] cycloaddition reaction as the most probable adsorbate. In addition, theoretical scanning tunnelling microscopy (STM) images are presented, with a view to contributing to further experimental investigations.

  9. The surface properties of biopolymer-coated fruit: A review

    Directory of Open Access Journals (Sweden)

    Diana Cristina Moncayo Martinez

    2013-09-01

    Full Text Available Environmental conservation concerns have led to research and development regarding biodegradable materials from biopolymers, leading to new formulations for edible films and coatings for preserving the quality of fresh fruit and vegetables. Determining fruit skin surface properties for a given coating solution has led to predicting coating efficiency. Wetting was studied by considering spreading, adhesion and cohesion and measuring the contact angle, thus optimising the coating formulation in terms of biopolymer, plasticiser, surfactant, antimicrobial and antioxidant concentration. This work reviews the equations for determining fruit surface properties by using polar and dispersive interaction calculations and by determining the contact angle.

  10. Parametric surface and properties defined on parallelogrammic domain

    OpenAIRE

    Shuqian Fan; Jinsong Zou; Mingquan Shi

    2014-01-01

    Similar to the essential components of many mechanical systems, the geometrical properties of the teeth of spiral bevel gears greatly influence the kinematic and dynamic behaviors of mechanical systems. Logarithmic spiral bevel gears show a unique advantage in transmission due to their constant spiral angle property. However, a mathematical model suitable for accurate digital modeling, differential geometrical characteristics, and related contact analysis methods for tooth surfaces have not b...

  11. 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.

  12. Analysis on the energetics, magnetism and electronic properties in a 45° ZnO grain boundary doped with Gd

    KAUST Repository

    Devi, Assa Aravindh Sasikala; Roqan, Iman S.

    2018-01-01

    The structural stability and magnetic properties of a grain boundary (GB) formed by aligning two ZnO single crystals oriented at an angle of 45° is investigated by density functional theory, using generalized gradient approximation (GGA) and taking

  13. Influence of surface roughness on the friction property of textured surface

    OpenAIRE

    Yuankai Zhou; Hua Zhu; Wenqian Zhang; Xue Zuo; Yan Li; Jianhua Yang

    2015-01-01

    In contrast with dimple textures, surface roughness is a texture at the micro-scale, essentially which will influence the load-bearing capacity of lubricant film. The numerical simulation was carried out to investigate the influence of surface roughness on friction property of textured surface. The lubricant film pressure was obtained using the method of computational fluid dynamics according to geometric model of round dimple, and the renormalization-group k–ε turbulent model was adopted in ...

  14. SPECTRAL PROPERTIES OF LARGE GRADUAL SOLAR ENERGETIC PARTICLE EVENTS. II. SYSTEMATIC Q/M DEPENDENCE OF HEAVY ION SPECTRAL BREAKS

    Energy Technology Data Exchange (ETDEWEB)

    Desai, M. I.; Dayeh, M. A.; Ebert, R. W.; Schwadron, N. A. [Southwest Research Institute, 6220 Culebra Road, San Antonio, TX 78238 (United States); Mason, G. M. [Johns Hopkins University/Applied Physics Laboratory, Laurel, MD 20723 (United States); McComas, D. J. [Department of Astrophysical Sciences, Princeton University, NJ 08544 (United States); Li, G. [The Center for Space Plasma and Aeronomic Research (CSPAR), University of Alabama in Huntsville, Huntsville, AL 35756 (United States); Cohen, C. M. S.; Mewaldt, R. A. [California Institute of Technology, Pasadena, CA 91125 (United States); Smith, C. W., E-mail: mdesai@swri.edu [University of New Hampshire, 8 College Road, Durham NH 03824 (United States)

    2016-09-10

    We fit ∼0.1–500 MeV nucleon{sup −1} H–Fe spectra in 46 large solar energetic particle (SEP) events with the double power-law Band function to obtain a normalization constant, low- and high-energy parameters γ {sub a} and γ {sub b}, and break energy E {sub B}, and derive the low-energy spectral slope γ {sub 1}. We find that: (1) γ {sub a}, γ {sub 1}, and γ {sub b} are species-independent and the spectra steepen with increasing energy; (2) E {sub B} decreases systematically with decreasing Q/M scaling as (Q/M){sup α}; (3) α varies between ∼0.2–3 and is well correlated with the ∼0.16–0.23 MeV nucleon{sup −1} Fe/O; (4) in most events, α < 1.4, γ {sub b}– γ {sub a} > 3, and O E {sub B} increases with γ {sub b}– γ {sub a}; and (5) in many extreme events (associated with faster coronal mass ejections (CMEs) and GLEs), Fe/O and {sup 3}He/{sup 4}He ratios are enriched, α ≥ 1.4, γ {sub b}– γ {sub a} < 3, and E {sub B} decreases with γ {sub b}– γ {sub a}. The species-independence of γ {sub a}, γ {sub 1}, and γ {sub b} and the Q/M dependence of E {sub B} within an event and the α values suggest that double power-law SEP spectra occur due to diffusive acceleration by near-Sun CME shocks rather than scattering in interplanetary turbulence. Using γ {sub 1}, we infer that the average compression ratio for 33 near-Sun CME shocks is 2.49 ± 0.08. In most events, the Q/M dependence of E {sub B} is consistent with the equal diffusion coefficient condition and the variability in α is driven by differences in the near-shock wave intensity spectra, which are flatter than the Kolmogorov turbulence spectrum but weaker than the spectra for extreme events. In contrast, in extreme events, enhanced wave power enables faster CME shocks to accelerate impulsive suprathermal ions more efficiently than ambient coronal ions.

  15. Reversible Surface Properties of Polybenzoxazine/Silica Nanocomposites Thin Films

    Directory of Open Access Journals (Sweden)

    Wei-Chen Su

    2013-01-01

    Full Text Available We report the reversible surface properties (hydrophilicity, hydrophobicity of a polybenzoxazine (PBZ thin film through simple application of alternating UV illumination and thermal treatment. The fraction of intermolecularly hydrogen bonded O–H⋯O=C units in the PBZ film increased after UV exposure, inducing a hydrophilic surface; the surface recovered its hydrophobicity after heating, due to greater O–H⋯N intramolecular hydrogen bonding. Taking advantage of these phenomena, we prepared a PBZ/silica nanocomposite coating through two simple steps; this material exhibited reversible transitions from superhydrophobicity to superhydrophilicity upon sequential UV irradiation and thermal treatment.

  16. Surface effects on the mechanical properties of nanoporous materials

    International Nuclear Information System (INIS)

    Lu Zixing; Zhang Cungang; Liu Qiang; Yang Zhenyu

    2011-01-01

    In this paper, surface effects on the mechanical behaviour of nanoporous materials are investigated using the theory of surface elasticity and Timoshenko beam theory based on the tetrakaidecahedron (or Kelvin) open-cell foam model. Meanwhile, the influence of surface elasticity and residual surface stress on the mechanical properties of nanoporous materials is discussed. In addition, the results derived from the theory of Euler-Bernoulli beam model are also provided for comparison. Theoretical results show that the effective Young's modulus of the nanoporous materials increases as the diameter of the strut decreases, but in contrast Poisson's ratio and the brittle collapse strength decrease with the diameter of the strut. The contribution of shear deformation to surface effects on elastic properties is more significant, while the surface effects on brittle collapse strength are not sensitive to shear deformation, and it can even be neglected. As the strut size increases, the present results can be reduced to the cases without considering surface effects, which verifies the efficiency of the present model to a certain extent.

  17. The GRETA project: the contribution of near-surface geothermal energy for the energetic self-sufficiency of Alpine regions

    Directory of Open Access Journals (Sweden)

    Alessandro Casasso

    2017-03-01

    Full Text Available The Alpine regions are deeply involved in the challenge set by climate change, which is a threat for their environment and for important economic activities such as tourism. The heating and cooling of buildings account for a major share of the total primary energy consumption in Europe, and hence the energy policies should focus on this sector to achieve the greenhouse gas reduction targets set by international agreements. Geothermal heat pump is one of the least carbon-intensive technologies for the heating and cooling of buildings. It exploits the heat stored within the ground, a local renewable energy source which is widely available across the Alpine territory. Nevertheless, it has been little considered by European policies and cooperation projects. GRETA (near-surface Geothermal REsources in the Territory of the Alpine space is a cooperation project funded by the EU INTERREG-Alpine Space program, aiming at demonstrating the potential of shallow geothermal energy and to foster its integration into energy planning instruments. It started in December 2015 and will last three years, involving 12 partners from Italy, France, Switzerland, Germany, Austria, and Slovenia. In this paper, the project is presented, along with the results of the first year of work.

  18. Surface properties of CNTs and their interaction with silica.

    Science.gov (United States)

    Sobolkina, Anastasia; Mechtcherine, Viktor; Bellmann, Cornelia; Khavrus, Vyacheslav; Oswald, Steffen; Hampel, Silke; Leonhardt, Albrecht

    2014-01-01

    In order to improve the embedding of carbon nanotubes (CNTs) in cement-based matrices, silica was deposited on the sidewall of CNTs by a sol-gel method. Knowledge of the conditions of CNTs' surfaces is a key issue in understanding the corresponding interaction mechanisms. In this study various types of CNTs synthesized using acetonitrile, cyclohexane, and methane were investigated with regard to their physicochemical surface properties. Significant differences in surface polarity as well as in the wetting properties of the CNTs, depending on the precursors used, were revealed by combining electro-kinetic potential and contact angle measurements. The hydrophobicity of CNTs decreases by utilising the carbon sources in the following order: cyclohexane, methane, and finally acetonitrile. The XPS analysis, applied to estimate the chemical composition at the CNT surface, showed nitrogen atoms incorporated into the tube structure by using acetonitrile as a carbon source. It was found that the simultaneous presence of nitrogen- and/or oxygen-containing sites with different acid-base properties increased the surface polarity of the CNTs, imparting amphoteric characteristics to them and improving their wetting behaviour. Regarding the silica deposition, strong differences in adsorption capacity of the CNTs were observed. The mechanism of silica adsorption through interfacial bond formation was discussed. Copyright © 2013 Elsevier Inc. All rights reserved.

  19. Membranes with Surface-Enhanced Antifouling Properties for Water Purification

    Science.gov (United States)

    Shahkaramipour, Nima; Tran, Thien N.; Ramanan, Sankara; Lin, Haiqing

    2017-01-01

    Membrane technology has emerged as an attractive approach for water purification, while mitigation of fouling is key to lower membrane operating costs. This article reviews various materials with antifouling properties that can be coated or grafted onto the membrane surface to improve the antifouling properties of the membranes and thus, retain high water permeance. These materials can be separated into three categories, hydrophilic materials, such as poly(ethylene glycol), polydopamine and zwitterions, hydrophobic materials, such as fluoropolymers, and amphiphilic materials. The states of water in these materials and the mechanisms for the antifouling properties are discussed. The corresponding approaches to coat or graft these materials on the membrane surface are reviewed, and the materials with promising performance are highlighted. PMID:28273869

  20. Improvement of carbon fiber surface properties using electron beam irradiation

    International Nuclear Information System (INIS)

    Pino, E.S.; Machado, L.D.B.; Giovedi, C.

    2007-01-01

    Carbon fiber-reinforced advance composites have been used for structural applications, mainly on account of their mechanical properties. The main factor for a good mechanical performance of carbon fiber-reinforced composite is the interfacial interaction between its components, which are carbon fiber and polymeric matrix. The aim of this study is to improve the surface properties of the carbon fiber using ionizing radiation from an electron beam to obtain better adhesion properties in the resultant composite. EB radiation was applied on the carbon fiber itself before preparing test specimens for the mechanical tests. Experimental results showed that EB irradiation improved the tensile strength of carbon fiber samples. The maximum value in tensile strength was reached using doses of about 250 kGy. After breakage, the morphology aspect of the tensile specimens prepared with irradiated and non-irradiated car- bon fibers were evaluated. SEM micrographs showed modifications on the carbon fiber surface. (authors)

  1. Reflection properties of road surfaces. Contribution to OECD Scientific Expert Group AC4 on Road Surface Characteristics.

    NARCIS (Netherlands)

    Schreuder, D.A.

    1983-01-01

    Photometric characteristics of road surfaces are dealt with. Representation of reflection properties in public lighting; quality criteria of road lighting installations; classification of road surfaces; the relation between reflection characteristics and other properties of road pavements in public

  2. Structural, electronic and magnetic properties of Mn{sub 3}N{sub 2}(0 0 1) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero-Sánchez, J., E-mail: guerrero@ifuap.buap.mx [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570 (Mexico); Mandru, Andrada-Oana; Wang, Kangkang [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Takeuchi, Noboru [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autónoma de México, Apartado Postal 14, Ensenada, Baja California, Codigo Postal 22800 (Mexico); Cocoletzi, Gregorio H. [Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570 (Mexico); Smith, Arthur R. [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States)

    2015-11-15

    Graphical abstract: - Abstract: Spin-polarized first-principles total energy calculations have been performed to study the structural, electronic and magnetic properties of Mn{sub 3}N{sub 2}(0 0 1) surfaces. It is found that three surface terminations are energetically stable, in agreement with previous scanning tunneling microscopy experiments that have found three different electronic contrasts in their images. It is also found that in all three cases, the topmost layer has a MnN stoichiometry. Density of states calculations show a metallic behavior for all the stable structures with the most important contribution close to the Fermi level coming from the Mn-d orbitals. Our Tersoff–Hamann scanning tunneling microscopy simulations are in good agreement with previous experimental results.

  3. Mechanical and tribological properties of ion beam-processed surfaces

    International Nuclear Information System (INIS)

    Kodali, P.

    1998-01-01

    The intent of this work was to broaden the applications of well-established surface modification techniques and to elucidate the various wear mechanisms that occur in sliding contact of ion-beam processed surfaces. The investigation included characterization and evaluation of coatings and modified surfaces synthesized by three surface engineering methods; namely, beam-line ion implantation, plasma-source ion implantation, and DC magnetron sputtering. Correlation among measured properties such as surface hardness, fracture toughness, and wear behavior was also examined. This dissertation focused on the following areas of research: (1) investigating the mechanical and tribological properties of mixed implantation of carbon and nitrogen into single crystal silicon by beam-line implantation; (2) characterizing the mechanical and tribological properties of diamond-like carbon (DLC) coatings processed by plasma source ion implantation; and (3) developing and evaluating metastable boron-carbon-nitrogen (BCN) compound coatings for mechanical and tribological properties. The surface hardness of a mixed carbon-nitrogen implant sample improved significantly compared to the unimplanted sample. However, the enhancement in the wear factor of this sample was found to be less significant than carbon-implanted samples. The presence of nitrogen might be responsible for the degraded wear behavior since nitrogen-implantation alone resulted in no improvement in the wear factor. DLC coatings have low friction, low wear factor, and high hardness. The fracture toughness of DLC coatings has been estimated for the first time. The wear mechanism in DLC coatings investigated with a ruby slider under a contact stress of 1 GPa was determined to be plastic deformation. The preliminary data on metastable BCN compound coatings indicated high friction, low wear factor, and high hardness

  4. Fabrication of Au/graphene oxide/Ag sandwich structure thin film and its tunable energetics and tailorable optical properties

    OpenAIRE

    Ruijin Hong; Jialin Ji; Chunxian Tao; Daohua Zhang; Dawei Zhang

    2017-01-01

    Au/graphene oxide/Ag sandwich structure thin film was fabricated. The effects of graphene oxide (GO) and bimetal on the structure and optical properties of metal silver films were investigated by X-ray diffraction (XRD), optical absorption, and Raman intensity measurements, respectively. Compared to silver thin film, Au/graphene oxide/Ag sandwich structure composite thin films were observed with wider optical absorption peak and enhanced absorption intensity. The Raman signal for Rhodamine B ...

  5. Radiation-thermal effects change of physico-mechanical properties in reactor materials irradiated with neutrons and energetic charged particles

    International Nuclear Information System (INIS)

    Hofman, A.

    1999-01-01

    In the first part of the report (chapter 1) the earlier results of the important scientific and technological investigations which were performed in the seventies years in Poland have been presented. They concerned the fabrication, corrosion, mechanical properties of materials for research and power reactors. Being of the general survey character, the chapter includes own, original results of research of thermal irradiation effects on microstructure evolution phase transformations and mechanical properties of reactor materials. The kinetics of isothermal transformation β→α in U-Cr 0.4% wt. alloy has been studied. Factors affecting stress-corrosion cracking of zirconium in iodine vapour have been investigated. The rings and loops for irradiation specimens and Hot Laboratory for postirradiation examination of construction materials is described. In the second part (chapters 2, 3, 4, 5) performed the investigations and simulations of radiation damage in metals by heavy ion beams (E > 1 MeV/a.m.n.) were described scientific base and technical problems of the method of irradiation of heavy ions and of the examination of irradiated samples is presented. It is followed by a summary of the results of simulation and reactor experiments on different materials. Radiation hardening of a number metals (Al, Zr, Cu, Ni, U) irradiated by heavy ion and neutrons, mechanical properties and microstructural evolution in ion and neutron irradiated austenitic stainless steel is described. The last chapter is a description of practical aspects of the presented studies in nuclear science and technology. (author)

  6. Parametric surface and properties defined on parallelogrammic domain

    Directory of Open Access Journals (Sweden)

    Shuqian Fan

    2014-01-01

    Full Text Available Similar to the essential components of many mechanical systems, the geometrical properties of the teeth of spiral bevel gears greatly influence the kinematic and dynamic behaviors of mechanical systems. Logarithmic spiral bevel gears show a unique advantage in transmission due to their constant spiral angle property. However, a mathematical model suitable for accurate digital modeling, differential geometrical characteristics, and related contact analysis methods for tooth surfaces have not been deeply investigated, since such gears are not convenient in traditional cutting manufacturing in the gear industry. Accurate mathematical modeling of the tooth surface geometry for logarithmic spiral bevel gears is developed in this study, based on the basic gearing kinematics and spherical involute geometry along with the tangent planes geometry; actually, the tooth surface is a parametric surface defined on a parallelogrammic domain. Equivalence proof of the tooth surface geometry is then given in order to greatly simplify the mathematical model. As major factors affecting the lubrication, surface fatigue, contact stress, wear, and manufacturability of gear teeth, the differential geometrical characteristics of the tooth surface are summarized using classical fundamental forms. By using the geometrical properties mentioned, manufactura-bility (and its limitation in logarithmic spiral bevel gears is analyzed using precision forging and multi-axis freeform milling, rather than classical cradle-type machine tool based milling or hobbing. Geometry and manufacturability analysis results show that logarithmic spiral gears have many application advantages, but many urgent issues such as contact tooth analysis for precision plastic forming and multi-axis freeform milling also need to be solved in a further study.

  7. [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.

  8. Directional radiative properties of anisotropic rough silicon and gold surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Lee, H.J.; Chen, Y.B.; Zhang, Z.M. [George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332 (United States)

    2006-11-15

    Recent studies have shown that the topography of some chemically etched microrough silicon surfaces is non-Gaussian and may be strongly anisotropic. However, the bidirectional reflectance distribution function (BRDF) of anisotropic surfaces has not been fully understood. The present study uses the Monte Carlo method to investigate the out-of-plane BRDF, multiple scattering, and the change of the polarization state upon reflection. Two ray-tracing algorithms are developed that incorporate the surface topography or slope distribution of the samples obtained by the use of an atomic force microscope. The predicted BRDFs for silicon surfaces with or without a gold coating are in reasonable agreement with the results measured using a laser scatterometer at a wavelength of 635nm. The employment of surface topographic data is indispensable to the BRDF modeling of anisotropic surfaces. While first-order scattering makes the dominant contribution to reflections from the studied surfaces, it is critical to consider the polarization state change in order to correctly predict the out-of-plane BRDF. The versatile Monte Carlo modeling tools developed through the present study help gain a better understanding of the directional radiative properties of microrough surfaces and, furthermore, will have an impact on thermal metrology in the semiconductor industry. (author)

  9. Fabrication of Au/graphene oxide/Ag sandwich structure thin film and its tunable energetics and tailorable optical properties

    Directory of Open Access Journals (Sweden)

    Ruijin Hong

    2017-01-01

    Full Text Available Au/graphene oxide/Ag sandwich structure thin film was fabricated. The effects of graphene oxide (GO and bimetal on the structure and optical properties of metal silver films were investigated by X-ray diffraction (XRD, optical absorption, and Raman intensity measurements, respectively. Compared to silver thin film, Au/graphene oxide/Ag sandwich structure composite thin films were observed with wider optical absorption peak and enhanced absorption intensity. The Raman signal for Rhodamine B molecules based on the Au/graphene oxide/Ag sandwich nanostructure substrate were obviously enhanced due to the bimetal layer and GO layer with tunable absorption intensity and fluorescence quenching effects.

  10. Structural and Chemical Properties of the Nitrogen-Rich Energetic Material Triaminoguanidinium 1-methyl-5-nitriminotetrazolate under Pressure

    Science.gov (United States)

    2012-08-01

    ABSTRACT 16. SECURITY CLASSIFICATION OF: The structural and chemical properties of the bi-molecular, hydrogen-bonded, nitrogen-rich ener- getic...School Apprenticeship Program (ARO-HSAP), and the Depart- ment of Energy National Nuclear Security Administration (Carnegie/DOE Alliance Center; DE-FC52...B. J. Baer, H. Cynn, W. J. Evans, V. Iota , and C. S. Yoo, Phys. Rev. B 76(1), 014113 (2007). 9T. M. Klapötke, J. Stierstorfer, and A. U. Wallek, Chem

  11. Energetic, electronic and optical properties of lanthanide doped TiO2: An ab initio LDA+U study

    CSIR Research Space (South Africa)

    Mulwa, WM

    2016-05-01

    Full Text Available potential, J. Chem. Phys. 118 (2003) 8207. doi:10.1063/1.1564060. [23] X. Ren, Beyond LDA and GGA - Tackling exact exchange , hybrid functional , MP2 , and RPA with numeric atom-centered orbitals The Fritz-Haber-Institute ab initio molecular simulations.... Calzolari, A. Ruini, A. Catellani, Anchor Group versus Conjugation: Toward the Gap-State Engineering of Functionalized ZnO (101̅0) Surface for Optoelectronic Applications, J. Am. Chem. Soc. 133 (2011) 5893–5899. [36] R. Gillen, S.J. Clark, J. Robertson...

  12. Energetics Conditioning Facility

    Data.gov (United States)

    Federal Laboratory Consortium — The Energetics Conditioning Facility is used for long term and short term aging studies of energetic materials. The facility has 10 conditioning chambers of which 2...

  13. Microphase separated structure and surface properties of fluorinated polyurethane resin

    International Nuclear Information System (INIS)

    Sudaryanto; Nishino, T.; Hori, Y.; Nakamae, K.

    2000-01-01

    The effect of fluorination on microphase separation and surface properties of segmented polyurethane (PU) resin were investigated. A series of fluorinated polyurethane resin (FPU) was synthesized by reacting a fluorinated diol with aromatic diisocyanate. The microphase separated structure of FPU was studied by thermal analysis, and small angle X-ray scattering (SAXS) as well as wide angle X-ray diffraction (WAXD). The surface structure and properties were characterized by X-ray photoelectron spectroscopy (XPS) and dynamic contact angle measurement. The incorporation of fluorine into hard segment brings the FPU to have a higher hard domain cohesion and increase the phase separation, however localization of fluorine on the surface could not be observed. On the other hands, localization of fluorine on the surface could be achieved for soft segment fluorinated PU without any significant change in microphase separated structure. The result from this study give an important basic information for designing PU coating material with a low surface energy and strong adhesion as well as for development of release film on pressure sensitive adhesive tape. (author)

  14. Oxidative nanopatterning of titanium generates mesoporous surfaces with antimicrobial properties

    Directory of Open Access Journals (Sweden)

    Variola F

    2014-05-01

    Full Text Available Fabio Variola,1,2 Sylvia Francis Zalzal,3 Annie Leduc,3 Jean Barbeau,3 Antonio Nanci31Faculty of Engineering, Department of Mechanical Engineering, 2Faculty of Science, Department of Physics, University of Ottawa, Ottawa, ON, 3Faculty of Dental Medicine, Université de Montréal, Montreal, QC, CanadaAbstract: Mesoporous surfaces generated by oxidative nanopatterning have the capacity to selectively regulate cell behavior, but their impact on microorganisms has not yet been explored. The main objective of this study was to test the effects of such surfaces on the adherence of two common bacteria and one yeast strain that are responsible for nosocomial infections in clinical settings and biomedical applications. In addition, because surface characteristics are known to affect bacterial adhesion, we further characterized the physicochemical properties of the mesoporous surfaces. Focused ion beam (FIB was used to generate ultrathin sections for elemental analysis by energy-dispersive X-ray spectroscopy (EDS, nanobeam electron diffraction (NBED, and high-angle annular dark field (HAADF scanning transmission electron microscopy (STEM imaging. The adherence of Staphylococcus aureus, Escherichia coli and Candida albicans onto titanium disks with mesoporous and polished surfaces was compared. Disks with the two surfaces side-by-side were also used for direct visual comparison. Qualitative and quantitative results from this study indicate that bacterial adhesion is significantly hindered by the mesoporous surface. In addition, we provide evidence that it alters structural parameters of C. albicans that determine its invasiveness potential, suggesting that microorganisms can sense and respond to the mesoporous surface. Our findings demonstrate the efficiency of a simple chemical oxidative treatment in generating nanotextured surfaces with antimicrobial capacity with potential applications in the implant manufacturing industry and hospital setting

  15. Microstructure and properties of cast iron after laser surface hardening

    Directory of Open Access Journals (Sweden)

    Stanislav

    2013-12-01

    Full Text Available Laser surface hardening of cast iron is not trivial due to the material’s heterogeneity and coarse-grained microstructure, particularly in massive castings. Despite that, hardening of heavy moulds for automotive industry is in high demand. The present paper summarises the findings collected over several years of study of materials structure and surface properties. Phase transformations in the vicinity of graphite are described using examples from production of body parts in automotive industry. The description relates to formation of martensite and carbide-based phases, which leads to hardness values above 65 HRC and to excellent abrasion resistance.

  16. Energetics of bacterial photosynthesis.

    Science.gov (United States)

    Lebard, David N; Matyushov, Dmitry V

    2009-09-10

    We report the results of extensive numerical simulations and theoretical calculations of electronic transitions in the reaction center of Rhodobacter sphaeroides photosynthetic bacterium. The energetics and kinetics of five electronic transitions related to the kinetic scheme of primary charge separation have been analyzed and compared to experimental observations. Nonergodic formulation of the reaction kinetics is required for the calculation of the rates due to a severe breakdown of the system ergodicity on the time scale of primary charge separation, with the consequent inapplicability of the standard canonical prescription to calculate the activation barrier. Common to all reactions studied is a significant excess of the charge-transfer reorganization energy from the width of the energy gap fluctuations over that from the Stokes shift of the transition. This property of the hydrated proteins, breaking the linear response of the thermal bath, allows the reaction center to significantly reduce the reaction free energy of near-activationless electron hops and thus raise the overall energetic efficiency of the biological charge-transfer chain. The increase of the rate of primary charge separation with cooling is explained in terms of the temperature variation of induction solvation, which dominates the average donor-acceptor energy gap for all electronic transitions in the reaction center. It is also suggested that the experimentally observed break in the Arrhenius slope of the primary recombination rate, occurring near the temperature of the dynamical transition in proteins, can be traced back to a significant drop of the solvent reorganization energy close to that temperature.

  17. First-principles calculation of structural and energetic properties for A2Ti2O7 (A = Lu, Er, Y, Gd, Sm, Nd, La)

    International Nuclear Information System (INIS)

    Zhang, Z.L.; Xiao, H.Y.; Zu, Xiaotao T.; Gao, Fei; Weber, William J.

    2009-01-01

    A first-principles method has been employed to investigate the structural and energetic properties for A2Ti2O7 (A = Lu, Er, Y, Gd, Sm, Nd, La), including the formation energies of the cation antisite-pair, the anion Frenkel pair that defines anion-disorder, and the coupled cation antisite-pair/anion-Frenkel. It is proposed that the interaction may have more significant influence on the radiation resistance behavior of titanate pyrochlores, although the interactions are relatively much stronger than the interactions. It is found that the defect formation energies are not simple functions of the A-site cation radii. The formation energy of the cation antisite-pair increases continuously as the A-site cation varies from Lu to Gd, and then decreases continuously with the variation of the A-site cation from Gd to La, in excellent agreement with the radiation-resistance trend of the titanate pyrochlores. The band gaps in these pyrochlores were also measured, and the band gap widths changed continuously with cation radius.

  18. 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.

  19. The influence of energetic bombardment on the structure formation of sputtered zinc oxide films. Development of an atomistic growth model and its application to tailor thin film properties

    Energy Technology Data Exchange (ETDEWEB)

    Koehl, Dominik

    2011-02-17

    The focus of this work is the investigation of the growth of zinc oxide (ZnO) thin films. It is demonstrated that with a modified, ion beam assisted sputtering (IBAS) process, zinc oxide films can be deposited which exhibit a markedly improved crystalline order. Furthermore, it is demonstrated that intense energetic oxygen ion bombardment can be utilized to change film texture from the typical (002)-self-texture to an a-axis texture where the (002)-planes are perpendicular to the substrate surface. An understanding of the underlying mechanisms is developed which also facilitates a more detailed understanding of the action of ion bombardment during zinc oxide film growth. It is shown that zinc oxide films are susceptible to the influence of ion bombardment particularly in the nucleation regime of growth and that this finding is generally true for all observed structural changes induced by ion bombardment with various species, energies and flux densities. It is demonstrated not only that the initial growth stage plays an important role in the formation of a preferred growth orientation but also that the action of texture forming mechanisms in subsequent growth stages is comparatively weak. (orig.)

  20. The influence of energetic bombardment on the structure formation of sputtered zinc oxide films. Development of an atomistic growth model and its application to tailor thin film properties

    International Nuclear Information System (INIS)

    Koehl, Dominik

    2011-01-01

    The focus of this work is the investigation of the growth of zinc oxide (ZnO) thin films. It is demonstrated that with a modified, ion beam assisted sputtering (IBAS) process, zinc oxide films can be deposited which exhibit a markedly improved crystalline order. Furthermore, it is demonstrated that intense energetic oxygen ion bombardment can be utilized to change film texture from the typical (002)-self-texture to an a-axis texture where the (002)-planes are perpendicular to the substrate surface. An understanding of the underlying mechanisms is developed which also facilitates a more detailed understanding of the action of ion bombardment during zinc oxide film growth. It is shown that zinc oxide films are susceptible to the influence of ion bombardment particularly in the nucleation regime of growth and that this finding is generally true for all observed structural changes induced by ion bombardment with various species, energies and flux densities. It is demonstrated not only that the initial growth stage plays an important role in the formation of a preferred growth orientation but also that the action of texture forming mechanisms in subsequent growth stages is comparatively weak. (orig.)

  1. Friction Properties of Surface-Fluorinated Carbon Nanotubes

    Science.gov (United States)

    Wal, R. L. Vander; Miyoshi, K.; Street, K. W.; Tomasek, A. J.; Peng, H.; Liu, Y.; Margrave, J. L.; Khabashesku, V. N.

    2005-01-01

    Surface modification of the tubular or sphere-shaped carbon nanoparticles through chemical treatment, e.g., fluorination, is expected to significantly affect their friction properties. In this study, a direct fluorination of the graphene-built tubular (single-walled carbon nanotubes) structures has been carried out to obtain a series of fluorinated nanotubes (fluoronanotubes) with variable C(n)F (n =2-20) stoichiometries. The friction coefficients for fluoronanotubes, as well as pristine and chemically cut nanotubes, were found to reach values as low as 0.002-0.07, according to evaluation tests run in contact with sapphire in air of about 40% relative humidity on a ball-on-disk tribometer which provided an unidirectional sliding friction motion. These preliminary results demonstrate ultra-low friction properties and show a promise in applications of surface modified nanocarbons as a solid lubricant.

  2. Surface properties of hydrogenated nanodiamonds: a chemical investigation.

    Science.gov (United States)

    Girard, H A; Petit, T; Perruchas, S; Gacoin, T; Gesset, C; Arnault, J C; Bergonzo, P

    2011-06-28

    Hydrogen terminations (C-H) confer to diamond layers specific surface properties such as a negative electron affinity and a superficial conductive layer, opening the way to specific functionalization routes. For example, efficient covalent bonding of diazonium salts or of alkene moieties can be performed on hydrogenated diamond thin films, owing to electronic exchanges at the interface. Here, we report on the chemical reactivity of fully hydrogenated High Pressure High Temperature (HPHT) nanodiamonds (H-NDs) towards such grafting, with respect to the reactivity of as-received NDs. Chemical characterizations such as FTIR, XPS analysis and Zeta potential measurements reveal a clear selectivity of such couplings on H-NDs, suggesting that C-H related surface properties remain dominant even on particles at the nanoscale. These results on hydrogenated NDs open up the route to a broad range of new functionalizations for innovative NDs applications development. This journal is © the Owner Societies 2011

  3. Correlation between surface microstructure and optical properties of porous silicon

    Directory of Open Access Journals (Sweden)

    Saeideh Rhramezani Sani

    2007-12-01

    Full Text Available   We have studied the effect of increasing porosity and its microstructure surface variation on the optical and dielectric properties of porous silicon. It seems that porosity, as the surface roughness within the range of a few microns, shows quantum effect in the absorption and reflection process of porous silicon. Optical constants of porous silicon at normal incidence of light with wavelength in the range of 250-3000 nm have been calculated by Kramers-Kroning method. Our experimental analysis shows that electronic structure and dielectric properties of porous silicon are totally different from silicon. Also, it shows that porous silicon has optical response in the visible region. This difference was also verified by effective media approximation (EMA.

  4. Magnetic Nanoparticles: Surface Effects and Properties Related to Biomedicine Applications

    OpenAIRE

    Issa, Bashar; Obaidat, Ihab M.; Albiss, Borhan A.; Haik, Yousef

    2013-01-01

    Due to finite size effects, such as the high surface-to-volume ratio and different crystal structures, magnetic nanoparticles are found to exhibit interesting and considerably different magnetic properties than those found in their corresponding bulk materials. These nanoparticles can be synthesized in several ways (e.g., chemical and physical) with controllable sizes enabling their comparison to biological organisms from cells (10–100 μm), viruses, genes, down to proteins (3–50 nm). The opti...

  5. Correlation properties of surface and percolation transfer of electrons

    International Nuclear Information System (INIS)

    Bakunin, O.G.

    2002-01-01

    In this work was received equation, connecting correlatively properties of surface with electrons distribution function. Usually for equilibrium is necessary a large number of collisions. Collisions are 'destroying' correlations. In case rare collisions large importance have correlations and 'memory' effects. Non-Markov's character of emitting particles by surface lead to strongly nonequilibrium condition of 'gas'. Here kinetic equation of diffusive form does not apply. Classical kinetic equation are described only conditions near to equilibrium. This work offers to use ideas anomal diffusion in phase-space. The correlation properties of surface describe by correlations of velocities of emitting electrons: B(t). We offer to use functional equation for probability collision instead of kinetic equation: ∫ 0 ν 0 W noncoll F(ν) dv = 1 - B(t). This functional allow to consider 'memory' effects. It is important for consideration of electrons and clusters near surfaces. Distribution function become direct connected with correlations. In classical Kubo-Mory theory of transfer is necessary to get nondivergences integral: D ∝ ∫ 0 ∞ B(t). In considering case we can use even 'power function'. It was used 'slow' correlation function as Kohlraush in calculations. The information about kinetics and correlations properties are containing in one functional equation. It was received solution of this equation in form Levy function: F(ν) ∝ 1/ν α exp(-1/ν). The solution of this form can not be get with help asymptotic methods of kinetic theory. Asymptotics of solution have scale-invariant character F(V) ∝ 1/V α . This indicate on fractal properties phase-space. (author)

  6. Surface, structural and tensile properties of proton beam irradiated zirconium

    Energy Technology Data Exchange (ETDEWEB)

    Rafique, Mohsin; Chae, San; Kim, Yong-Soo, E-mail: yongskim@hanyang.ac.kr

    2016-02-01

    This paper reports the surface, structural and tensile properties of proton beam irradiated pure zirconium (99.8%). The Zr samples were irradiated by 3.5 MeV protons using MC-50 cyclotron accelerator at different doses ranging from 1 × 10{sup 13} to 1 × 10{sup 16} protons/cm{sup 2}. Both un-irradiated and irradiated samples were characterized using Field Emission Scanning Electron Microscope (FESEM), X-ray Diffraction (XRD) and Universal Testing Machine (UTM). The average surface roughness of the specimens was determined by using Nanotech WSxM 5.0 develop 7.0 software. The FESEM results revealed the formation of bubbles, cracks and black spots on the samples’ surface at different doses whereas the XRD results indicated the presence of residual stresses in the irradiated specimens. Williamson–Hall analysis of the diffraction peaks was carried out to investigate changes in crystallite size and lattice strain in the irradiated specimens. The tensile properties such as the yield stress, ultimate tensile stress and percentage elongation exhibited a decreasing trend after irradiation in general, however, an inconsistent behavior was observed in their dependence on proton dose. The changes in tensile properties of Zr were associated with the production of radiation-induced defects including bubbles, cracks, precipitates and simultaneous recovery by the thermal energy generated with the increase of irradiation dose.

  7. Surface, structural and tensile properties of proton beam irradiated zirconium

    Science.gov (United States)

    Rafique, Mohsin; Chae, San; Kim, Yong-Soo

    2016-02-01

    This paper reports the surface, structural and tensile properties of proton beam irradiated pure zirconium (99.8%). The Zr samples were irradiated by 3.5 MeV protons using MC-50 cyclotron accelerator at different doses ranging from 1 × 1013 to 1 × 1016 protons/cm2. Both un-irradiated and irradiated samples were characterized using Field Emission Scanning Electron Microscope (FESEM), X-ray Diffraction (XRD) and Universal Testing Machine (UTM). The average surface roughness of the specimens was determined by using Nanotech WSxM 5.0 develop 7.0 software. The FESEM results revealed the formation of bubbles, cracks and black spots on the samples' surface at different doses whereas the XRD results indicated the presence of residual stresses in the irradiated specimens. Williamson-Hall analysis of the diffraction peaks was carried out to investigate changes in crystallite size and lattice strain in the irradiated specimens. The tensile properties such as the yield stress, ultimate tensile stress and percentage elongation exhibited a decreasing trend after irradiation in general, however, an inconsistent behavior was observed in their dependence on proton dose. The changes in tensile properties of Zr were associated with the production of radiation-induced defects including bubbles, cracks, precipitates and simultaneous recovery by the thermal energy generated with the increase of irradiation dose.

  8. Study on tribological properties of multi-layer surface texture on Babbitt alloys surface

    Science.gov (United States)

    Zhang, Dongya; Zhao, Feifei; Li, Yan; Li, Pengyang; Zeng, Qunfeng; Dong, Guangneng

    2016-12-01

    To improve tribological properties of Babbitt alloys, multi-layer surface texture consisted of the main grooves and secondary micro-dimples are fabricated on the Babbitt substrate through laser pulse ablation. The tribological behaviors of multi-layer surface texture are investigated using a rotating type pin-on-disc tribo-meter under variation sliding speeds, and the film pressure distributions on the textured surfaces are simulated using computational fluid dynamics (CFD) method for elucidating the possible mechanisms. The results suggest that: (i) the multi-layer surface texture can reduce friction coefficient of Babbitt alloy, which has lowest friction coefficient of 0.03, in case of the groove parameter of 300 μm width and 15% of area density; (ii) the improvement effect may be more sensitive to the groove area density and the siding speed, and the textured surface with lower area density has lower friction coefficient under high sliding speed. Based on the reasons of (i) the secondary micro-dimples on Babbitt alloy possesses a hydrophobicity surface and (ii) the CFD analysis indicates that main grooves enhancing hydrodynamic effect, thus the multi-layer surface texture is regarded as dramatically improve the lubricating properties of the Babbitt alloy.

  9. Determination of spectral, structural and energetic properties of small lithium clusters, within the density functional theory formalism

    International Nuclear Information System (INIS)

    Gardet, G.

    1995-01-01

    A systematic study of small lithium clusters (with size less than 19), within the Density Functional Theory (DFT) formalism is presented. We examine structural properties of the so called local level of approximation. For clusters with size smaller than 8, the conformations are well known from ab initio calculations and are found here at much lower computational cost, with only small differences. For bigger clusters, two growth pattern have been used, based upon the increase of the number of pentagonal subunits in the clusters by absorption of one or two Li atoms. Several new stable structures are proposed. Then DFT gradient-corrected functionals have been used for relative stability determination of these clusters. Ionisation potentials and binding energies are also investigated in regard to clusters size and geometry. Calculations of excited states of lithium clusters (with size less than 9) have been performed within two different approaches. Using a set of Kohn-Sham orbitals to construct wave functions, oscillator strengths calculation of the electric dipole transitions is performed. Transition energies, oscillator strengths and optical absorption presented here are generally in reasonable agreement with the experimental data and the Configuration Interaction calculations. (author)

  10. Analysis on the energetics, magnetism and electronic properties in a 45° ZnO grain boundary doped with Gd

    KAUST Repository

    Devi, Assa Aravindh Sasikala

    2018-04-13

    The structural stability and magnetic properties of a grain boundary (GB) formed by aligning two ZnO single crystals oriented at an angle of 45° is investigated by density functional theory, using generalized gradient approximation (GGA) and taking the U parameter into consideration for the 4f impurity states. We found that the GB is stable with no dangling bonds and inter-granular structures. The stability of defects such as Gd substituted to the Zn site (Gd), Zn vacancy (V) and O vacancy (V) as well as defect complexes Gd-Gd, Gd-V, and Gd-V are analyzed using formation energy calculations. It is found that Gd-Gd clusters prefers to form at the GB. The spin polarization at the Gd sites is too localized and the exchange coupling energy is insufficient to overcome the thermal fluctuations. However, we show that the presence of V increases the hybridization between p orbitals of O as well as d orbitals of Zn, which can assist in increasing the magnetic polarization of the system. This work advances the understanding of the ferromagnetism in Gd-doped ZnO, indicating that Gd clustering at the GB is not likely to contribute to the ferromagnetism.

  11. Effect of Surface Treatment on the Properties of Wool Fabric

    Science.gov (United States)

    Kan, C. W.; Yuen, C. W. M.; Chan, C. K.; Lau, M. P.

    Wool fiber is commonly used in textile industry, however, it has some technical problems which affect the quality and performance of the finished products such as felting shrinkage, handle, lustre, pilling, and dyeability. These problems may be attributed mainly in the presence of wool scales on the fiber surface. Recently, chemical treatments such as oxidation and reduction are the commonly used descaling methods in the industry. However, as a result of the pollution caused by various chemical treatments, physical treatment such as low temperature plasma (LTP) treatment has been introduced recently because it is similarly capable of achieving a comparable descaling effect. Most of the discussions on the applications of LTP treatment on wool fiber were focused on applying this technique for improving the surface wettability and shrink resistance. Meanwhile, little discussion has been made on the mechanical properties, thermal properties, and the air permeability. In this paper, wool fabric was treated with LTP treatment with the use of a non-polymerizing gas, namely oxygen. After the LTP treatment, the fabrics low-stress mechanical properties, air permeability, and thermal properties were evaluated and discussed.

  12. Surface effects on the mechanical properties of nanoporous materials

    International Nuclear Information System (INIS)

    Xia Re; Li Xide; Feng Xiqiao; Qin Qinghua; Liu Jianlin

    2011-01-01

    Using the theory of surface elasticity, we investigate the mechanical properties of nanoporous materials. The classical theory of porous materials is modified to account for surface effects, which become increasingly important as the characteristic sizes of microstructures shrink to nanometers. First, a refined Timoshenko beam model is presented to predict the effective elastic modulus of nanoporous materials. Then the surface effects on the elastic microstructural buckling behavior of nanoporous materials are examined. In particular, nanoporous gold is taken as an example to illustrate the application of the proposed model. The results reveal that both the elastic modulus and the critical buckling behavior of nanoporous materials exhibit a distinct dependence on the characteristic sizes of microstructures, e.g. the average ligament width.

  13. Surface effects on the mechanical properties of nanoporous materials

    Energy Technology Data Exchange (ETDEWEB)

    Xia Re [School of Power and Mechanical Engineering, Wuhan University, Wuhan 430072 (China); Li Xide; Feng Xiqiao [AML, Department of Engineering Mechanics, Tsinghua University, Beijing 100084 (China); Qin Qinghua [School of Engineering, Australian National University, Canberra, ACT 0200 (Australia); Liu Jianlin, E-mail: fengxq@tsinghua.edu.cn [Department of Engineering Mechanics, China University of Petroleum, Qingdao 266555 (China)

    2011-07-01

    Using the theory of surface elasticity, we investigate the mechanical properties of nanoporous materials. The classical theory of porous materials is modified to account for surface effects, which become increasingly important as the characteristic sizes of microstructures shrink to nanometers. First, a refined Timoshenko beam model is presented to predict the effective elastic modulus of nanoporous materials. Then the surface effects on the elastic microstructural buckling behavior of nanoporous materials are examined. In particular, nanoporous gold is taken as an example to illustrate the application of the proposed model. The results reveal that both the elastic modulus and the critical buckling behavior of nanoporous materials exhibit a distinct dependence on the characteristic sizes of microstructures, e.g. the average ligament width.

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

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Yingdi; Chibowski, Emil; Szcześ, Aleksandra, E-mail: aszczes@poczta.umcs.lublin.pl

    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 (1 min) caused decrease in the surface hydrophilic character, while longer time (10 min) 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. - Highlights: • Surface of five Ti-6Al-4V alloy samples were smoothed and polished successively. • The

  15. Constraining the surface properties of effective Skyrme interactions

    Science.gov (United States)

    Jodon, R.; Bender, M.; Bennaceur, K.; Meyer, J.

    2016-08-01

    Background: Deformation energy surfaces map how the total binding energy of a nuclear system depends on the geometrical properties of intrinsic configurations, thereby providing a powerful tool to interpret nuclear spectroscopy and large-amplitude collective-motion phenomena such as fission. The global behavior of the deformation energy is known to be directly connected to the surface properties of the effective interaction used for its calculation. Purpose: The precise control of surface properties during the parameter adjustment of an effective interaction is key to obtain a reliable and predictive description of nuclear properties. The most relevant indicator is the surface-energy coefficient asurf. There are several possibilities for its definition and estimation, which are not fully equivalent and require a computational effort that can differ by orders of magnitude. The purpose of this study is threefold: first, to identify a scheme for the determination of asurf that offers the best compromise between robustness, precision, and numerical efficiency; second, to analyze the correlation between values for asurf and the characteristic energies of the fission barrier of 240Pu; and third, to lay out an efficient and robust procedure for how the deformation properties of the Skyrme energy density functional (EDF) can be constrained during the parameter fit. Methods: There are several frequently used possibilities to define and calculate the surface energy coefficient asurf of effective interactions built for the purpose of self-consistent mean-field calculations. The most direct access is provided by the model system of semi-infinite nuclear matter, but asurf can also be extracted from the systematics of binding energies of finite nuclei. Calculations can be carried out either self-consistently [Hartree-Fock (HF)], which incorporates quantal shell effects, or in one of the semiclassical extended Thomas-Fermi (ETF) or modified Thomas-Fermi (MTF) approximations. The

  16. Surface chemistry and bonding configuration of ultrananocrystalline diamond surfaces and their effects on nanotribological properties

    International Nuclear Information System (INIS)

    Sumant, A. V.; Grierson, D. S.; Carpick, R. W.; Gerbi, J. E.; Carlisle, J. A.; Auciello, O.

    2007-01-01

    We present a comprehensive study of surface composition and nanotribology for ultrananocrystalline diamond (UNCD) surfaces, including the influence of film nucleation on these properties. We describe a methodology to characterize the underside of the films as revealed by sacrificial etching of the underlying substrate. This enables the study of the morphology and composition resulting from the nucleation and initial growth of the films, as well as the characterization of nanotribological properties which are relevant for applications including micro-/nanoelectromechanical systems. We study the surface chemistry, bonding configuration, and nanotribological properties of both the topside and the underside of the film with synchrotron-based x-ray absorption near-edge structure spectroscopy to identify the bonding state of the carbon atoms, x-ray photoelectron spectroscopy to determine the surface chemical composition, Auger electron spectroscopy to further verify the composition and bonding configuration, and quantitative atomic force microscopy to study the nanoscale topography and nanotribological properties. The films were grown on SiO 2 after mechanically polishing the surface with detonation synthesized nanodiamond powder, followed by ultrasonication in a methanol solution containing additional nanodiamond powder. The sp 2 fraction, morphology, and chemistry of the as-etched underside are distinct from the topside, exhibiting a higher sp 2 fraction, some oxidized carbon, and a smoother morphology. The nanoscale single-asperity work of adhesion between a diamond nanotip and the as-etched UNCD underside is far lower than for a silicon-silicon interface (59.2±2 vs 826±186 mJ/m 2 , respectively). Exposure to atomic hydrogen dramatically reduces nanoscale adhesion to 10.2±0.4 mJ/m 2 , at the level of van der Waals' interactions and consistent with recent ab initio calculations. Friction is substantially reduced as well, demonstrating a direct link between the

  17. Influence of surface roughness on the friction property of textured surface

    Directory of Open Access Journals (Sweden)

    Yuankai Zhou

    2015-02-01

    Full Text Available In contrast with dimple textures, surface roughness is a texture at the micro-scale, essentially which will influence the load-bearing capacity of lubricant film. The numerical simulation was carried out to investigate the influence of surface roughness on friction property of textured surface. The lubricant film pressure was obtained using the method of computational fluid dynamics according to geometric model of round dimple, and the renormalization-group k–ε turbulent model was adopted in the computation. The numerical simulation results suggest that there is an optimum dimensionless surface roughness, and near this value, the maximum load-bearing capacity can be achieved. The load-bearing capacity is determined by the surface texture, the surface roughness, and the interaction between them. To get information of friction coefficient, the experiments were conducted. This experiment was used to evaluate the simulation. The experimental results show that for the frequency of 4 and 6 Hz, friction coefficient decreases at first and then increases with decreasing surface roughness, which indicates that there exists the optimum region of surface roughness leading to the best friction reduction effect, and it becomes larger when area fractions increase from 2% to 10%. The experimental results agree well with the simulation results.

  18. Changes in surface properties caused by ion implantation

    International Nuclear Information System (INIS)

    Iwaki, Masaya

    1987-01-01

    This report outlines various aspects of ion implantation. Major features of ion implantation are described first, focusing on the structure of ion implantation equipment and some experimental results of ion implantation into semiconductors. Distribution of components in ion-implantated layers is then discussed. The two major features of ion implantation in relation to the distribution of implanted ions are: (1) high controllability of addition of ions to a surface layer and (2) formation of a large number of lattice defects in a short period of time. Application of ion implantation to metallic materials is expected to permit the following: (1) formation of a semi-stable alloy surface layer by metallic ion implantation, (2) formation of a semi-stable ceramic surface layer or buried layer by non-metallic ion implantation, and (3) formation of a buried layer by combined implementation of a different metallic ion and non-metallic ion. Ion implantation in carbon materials, polymers and ceramics is discussed next. The last part of the report is dedicated to macroscopic properties of an ion-implanted layer, centering on surface modification, formation of a conductive surface layer, and tribology. (Nogami, K.) 60 refs

  19. Magnetic nanoparticles: surface effects and properties related to biomedicine applications.

    Science.gov (United States)

    Issa, Bashar; Obaidat, Ihab M; Albiss, Borhan A; Haik, Yousef

    2013-10-25

    Due to finite size effects, such as the high surface-to-volume ratio and different crystal structures, magnetic nanoparticles are found to exhibit interesting and considerably different magnetic properties than those found in their corresponding bulk materials. These nanoparticles can be synthesized in several ways (e.g., chemical and physical) with controllable sizes enabling their comparison to biological organisms from cells (10-100 μm), viruses, genes, down to proteins (3-50 nm). The optimization of the nanoparticles' size, size distribution, agglomeration, coating, and shapes along with their unique magnetic properties prompted the application of nanoparticles of this type in diverse fields. Biomedicine is one of these fields where intensive research is currently being conducted. In this review, we will discuss the magnetic properties of nanoparticles which are directly related to their applications in biomedicine. We will focus mainly on surface effects and ferrite nanoparticles, and on one diagnostic application of magnetic nanoparticles as magnetic resonance imaging contrast agents.

  20. Investigation of CVD graphene topography and surface electrical properties

    International Nuclear Information System (INIS)

    Wang, Rui; Pearce, Ruth; Gallop, John; Patel, Trupti; Pollard, Andrew; Hao, Ling; Zhao, Fang; Jackman, Richard; Klein, Norbert; Zurutuza, Amaia

    2016-01-01

    Combining scanning probe microscopy techniques to characterize samples of graphene, a selfsupporting, single atomic layer hexagonal lattice of carbon atoms, provides far more information than a single technique can. Here we focus on graphene grown by chemical vapour deposition (CVD), grown by passing carbon containing gas over heated copper, which catalyses single atomic layer growth of graphene on its surface. To be useful for applications the graphene must be transferred onto other substrates. Following transfer it is important to characterize the CVD graphene. We combine atomic force microscopy (AFM) and scanning Kelvin probe microscopy (SKPM) to reveal several properties of the transferred film. AFM alone provides topographic information, showing ‘wrinkles’ where the transfer provided incomplete substrate attachment. SKPM measures the surface potential indicating regions with different electronic properties for example graphene layer number. By combining AFM and SKPM local defects and impurities can also be observed. Finally, Raman spectroscopy can confirm the structural properties of the graphene films, such as the number of layers and level of disorder, by observing the peaks present. We report example data on a number of CVD samples from different sources. (paper)

  1. Theoretical Insight of Physical Adsorption for a Single-Component Adsorbent + Adsorbate System: I. Thermodynamic Property Surfaces

    KAUST Repository

    Chakraborty, Anutosh

    2009-02-17

    Thermodynamic property surfaces for a single-component adsorbent + adsorbate system are derived and developed from the viewpoint of classical thermodynamics, thermodynamic requirements of chemical equilibrium, Gibbs law, and Maxwell relations. They enable us to compute the entropy and enthalpy of the adsorbed phase, the isosteric heat of adsorption, specific heat capacity, and the adsorbed phase volume thoroughly. These equations are very simple and easy to handle for calculating the energetic performances of any adsorption system. We have shown here that the derived thermodynamic formulations fill up the information gap with respect to the state of adsorbed phase to dispel the confusion as to what is the actual state of the adsorbed phase. We have also discussed and established the temperature-entropy diagrams of (i) CaCl 2-in-silica gel + water system for cooling applications, and (ii) activated carbon (Maxsorb III) + methane system for gas storage. © Copyright 2009 American Chemical Society.

  2. Tribological properties of nanostripe surface structures-a design concept for improving tribological properties

    International Nuclear Information System (INIS)

    Miyake, K; Nakano, M; Korenaga, A; Mano, H; Ando, Y

    2010-01-01

    The tribological properties of nanostripe surface structures were investigated using a pin-on-plate tribometer in order to propose a design concept for improving the tribological properties. The authors used four kinds of nanostripe structures consisting of different combinations of materials (Fe-Au, C-SiC, Al-Al 2 O 3 and Al-Pt) fabricated by a process they had previously proposed. The frictional properties of the nanostripe structures depended on the materials that constituted the nanostripes. When the sliding direction in friction tests was parallel to the microgrooves, nanostripe structures remained on all surfaces even after friction tests. Based on the friction test results, the authors considered a design concept for nanostripe structures in tribological applications.

  3. On the Link between the Release of Solar Energetic Particles Measured at Widespread Heliolongitudes and the Properties of the Associated Coronal Shocks

    Energy Technology Data Exchange (ETDEWEB)

    Lario, D.; Kwon, R.-Y.; Raouafi, N. E. [The Johns Hopkins University Applied Physics Laboratory, 11100 Johns Hopkins Road Laurel, MD 20723 (United States); Riley, P., E-mail: david.lario@jhuapl.edu, E-mail: Nour.Eddine.Raouafi@jhuapl.edu, E-mail: ryunyoung.kwon@gmail.com, E-mail: pete@predsci.com [Predictive Science, 9990 Mesa Rim Road, Suite 170 San Diego, CA 92121 (United States)

    2017-10-01

    Under the paradigm that the main agents in the acceleration of solar energetic particles (SEPs) are shocks initially driven by coronal mass ejections, we analyze whether the properties of the shocks in the corona inferred from combining extreme-ultraviolet (EUV) and white-light (WL) observations from multiple vantage points together with magnetohydrodynamic (MHD) simulations of the corona can be used to determine the release of SEPs into different regions of the heliosphere and hence determine the longitudinal extent of the SEP events. We analyze the SEP events observed on 2011 November 3, 2013 April 11, and 2014 February 25 over a wide range of heliolongitudes. MHD simulations provide the characteristics of the background medium where shocks propagate, in particular the Alfvén and sound speed profiles that allow us to determine both the extent of the EUV waves in the low corona and the fast magnetosonic Mach number ( M {sub FM}) of the shocks. The extent of the EUV waves in the low corona is controlled by this background medium and does not coincide with the extent of the SEP events in the heliosphere. Within the uncertainties of (i) the extent and speed of the shock inferred from EUV and WL images and (ii) the assumptions made in the MHD models, we follow the evolution of M {sub FM} at the region of the shock magnetically connected to each spacecraft. The estimated release times of the first SEPs measured by each spacecraft does not coincide with the time when the M {sub FM} at this region exceeds a given threshold.

  4. On the Link between the Release of Solar Energetic Particles Measured at Widespread Heliolongitudes and the Properties of the Associated Coronal Shocks

    Science.gov (United States)

    Lario, D.; Kwon, R.-Y.; Riley, P.; Raouafi, N. E.

    2017-10-01

    Under the paradigm that the main agents in the acceleration of solar energetic particles (SEPs) are shocks initially driven by coronal mass ejections, we analyze whether the properties of the shocks in the corona inferred from combining extreme-ultraviolet (EUV) and white-light (WL) observations from multiple vantage points together with magnetohydrodynamic (MHD) simulations of the corona can be used to determine the release of SEPs into different regions of the heliosphere and hence determine the longitudinal extent of the SEP events. We analyze the SEP events observed on 2011 November 3, 2013 April 11, and 2014 February 25 over a wide range of heliolongitudes. MHD simulations provide the characteristics of the background medium where shocks propagate, in particular the Alfvén and sound speed profiles that allow us to determine both the extent of the EUV waves in the low corona and the fast magnetosonic Mach number (M FM) of the shocks. The extent of the EUV waves in the low corona is controlled by this background medium and does not coincide with the extent of the SEP events in the heliosphere. Within the uncertainties of (I) the extent and speed of the shock inferred from EUV and WL images and (II) the assumptions made in the MHD models, we follow the evolution of M FM at the region of the shock magnetically connected to each spacecraft. The estimated release times of the first SEPs measured by each spacecraft does not coincide with the time when the M FM at this region exceeds a given threshold.

  5. Near surface mechanical properties of optical single crystals and surface response to deterministic microgrinding

    Science.gov (United States)

    Randi, Joseph A., III

    2005-12-01

    This thesis makes use of microindentation, nanoindentation and nanoscratching methods to better understand the mechanical properties of single crystalline silicon, calcium fluoride, and magnesium fluoride. These properties are measured and are used to predict the material's response to material removal, specifically by grinding and polishing, which is a combination of elastic, plastic and fracture processes. The hardness anisotropy during Knoop microindentation, hardness from nanoindentation, and scratch morphology from nanoscratching are reported. This information is related to the surface microroughness from grinding. We show that mechanical property relationships that predict the surface roughness from lapping and deterministic microgrinding of optical glasses are applicable to single crystals. We show the range of hardness from some of the more common crystallographic faces. Magnesium fluoride, having a tetragonal structure, has 2-fold hardness anisotropy. Nanoindentation, as expected provides higher hardness than microindentation, but anisotropy is not observed. Nanoscratching provides the scratch profile during loading, after the load has been removed, and the coefficient of friction during the loading. Ductile and brittle mode scratching is present with brittle mode cracking being orientation specific. Subsurface damage (SSD) measurements are made using a novel process known as the MRF technique. Magnetorheological finishing is used to polish spots into the ground surface where SSD can be viewed. SSD is measured using an optical microscope and knowledge of the spot profile. This technique is calibrated with a previous technique and implemented to accurately measure SSD in single crystals. The data collected are compared to the surface microroughness of the ground surface, resulting in an upper bound relationship. The results indicate that SSD is always less than 1.4 times the peak-to-valley surface microroughness for single crystals regardless of the

  6. Nonlinear mean field theory for nuclear matter and surface properties

    International Nuclear Information System (INIS)

    Boguta, J.; Moszkowski, S.A.

    1983-01-01

    Nuclear matter properties are studied in a nonlinear relativistic mean field theory. We determine the parameters of the model from bulk properties of symmetric nuclear matter and a reasonable value of the effective mass. In this work, we stress the nonrelativistic limit of the theory which is essentially equivalent to a Skyrme hamiltonian, and we show that most of the results can be obtained, to a good approximation, analytically. The strength of the required parameters is determined from the binding energy and density of nuclear matter and the effective nucleon mass. For realistic values of the parameters, the nonrelativistic approximation turns out to be quite satisfactory. Using reasonable values of the parameters, we can account for other key properties of nuclei, such as the spin-orbit coupling, surface energy, and diffuseness of the nuclear surface. Also the energy dependence of the nucleon-nucleus optical model is accounted for reasonably well except near the Fermi surface. It is found, in agreement with empirical results, that the Landau parameter F 0 is quite small in normal nuclear matter. Both density dependence and momentum dependence of the NN interaction, but especially the former, are important for nuclear saturation. The required scalar and vector coupling constants agree fairly well with those obtained from analyses of NN scattering phase shifts with one-boson-exchange models. The mean field theory provides a semiquantitative justification for the weak Skyrme interaction in odd states. The strength of the required nonlinear term is roughly consistent with that derived using a new version of the chiral mean field theory in which the vector mass as well as the nucleon mass is generated by the sigma-field. (orig.)

  7. Microstructure and surface mechanical properties of pulse electrodeposited nickel

    Energy Technology Data Exchange (ETDEWEB)

    Ul-Hamid, A., E-mail: anwar@kfupm.edu.sa [Center of Research Excellence in Corrosion (CoRE-C), Research Institute, King Fahd University of Petroleum and Minerals, P.O. Box 1073, Dhahran 31261 (Saudi Arabia); Dafalla, H.; Quddus, A.; Saricimen, H.; Al-Hadhrami, L.M. [Center of Research Excellence in Corrosion (CoRE-C), Research Institute, King Fahd University of Petroleum and Minerals, P.O. Box 1073, Dhahran 31261 (Saudi Arabia)

    2011-09-01

    The surface of carbon steel was modified by electrochemical deposition of Ni in a standard Watt's bath using dc and pulse plating electrodeposition. The aim was to compare the microstructure and surface mechanical properties of the deposit obtained by both techniques. Materials characterization was conducted using field emission scanning electron microscope fitted with scanning transmission electron detector, atomic force microscope and X-ray diffractometer. Nanoindentation hardness, elastic modulus, adhesion, coefficients of friction and wear rates were determined for both dc and pulse electrodeposits. Experimental results indicate that pulse electrodeposition produced finer Ni grains compared to dc plating. Size of Ni grains increased with deposition. Both dc and pulse deposition resulted in grain growth in preferred (2 0 0) orientation. However, presence of Ni (1 1 1) grains increased in deposits produced by pulse deposition. Pulse plated Ni exhibited higher hardness, creep and coefficient of friction and lower modulus of elasticity compared to dc plated Ni.

  8. Effect of nanofillers' size on surface properties after toothbrush abrasion.

    Science.gov (United States)

    Cavalcante, Larissa M; Masouras, Konstantinos; Watts, David C; Pimenta, Luiz A; Silikas, Nick

    2009-02-01

    To investigate the effect of filler-particle size of experimental and commercial resin composites, undergoing toothbrush abrasion, on three surface properties: surface roughness (SR), surface gloss (G) and color stability (CS). Four model (Ivoclar/Vivadent) and one commercial resin composite (Tokuyama) with varying filler-size from 100-1000 nm were examined. Six discs (10 mm x 2 mm) from each product were prepared and mechanically polished. The samples were then submitted to 20,000 brushing strokes in a toothbrush abrasion machine. SR parameters (Ra, Rt and RSm), G, and CS were measured before and after toothbrush abrasion. Changes in SR and G were analyzed by 2-way ANOVA, with Bonferroni post hoc test. CS values were submitted to one-way ANOVA and Bonferroni post hoc test (alpha=0.05). Initial G values ranged between 73-87 gloss units (GU) and were reduced after toothbrush abrasion to a range of 8-64 GU. Toothbrush abrasion resulted in significant modifications in SR and G amongst the materials tested, attributed to filler sizes. There was statistically significant difference in color (delta E* ranged from 0.38-0.88). Filler size did not affect color stability. Toothbrush abrasion resulted in rougher and matte surfaces for all materials tested. Although the individual differences in surface roughness among filler sizes were not always significant, the correlation showed a trend that larger filler sizes resulted in higher surface roughness after abrasion for the SR parameters Ra and Rt (r = 0.95; r = 0.93, respectively). RSm showed an increase after toothbrush abrasion for all resin composites, however no significant correlation was detected (r = 0.21).There was a significant correlation between G and Ra ratios (r = - 0.95).

  9. Modification of polyvinyl alcohol surface properties by ion implantation

    Energy Technology Data Exchange (ETDEWEB)

    Pukhova, I.V., E-mail: ivpuhova@mail.ru [National Research Tomsk State University, 36 Lenin Ave, Tomsk 634050 (Russian Federation); Institute of High Current Electronics, 2/3 Akademichesky Ave, Tomsk 634055 (Russian Federation); Kurzina, I.A. [National Research Tomsk State University, 36 Lenin Ave, Tomsk 634050 (Russian Federation); Savkin, K.P. [Institute of High Current Electronics, 2/3 Akademichesky Ave, Tomsk 634055 (Russian Federation); Laput, O.A. [National Research Tomsk Polytechnic University, 30 Lenin Ave, Tomsk 634050 (Russian Federation); Oks, E.M. [Institute of High Current Electronics, 2/3 Akademichesky Ave, Tomsk 634055 (Russian Federation)

    2017-05-15

    We describe our investigations of the surface physicochemical properties of polyvinyl alcohol modified by silver, argon and carbon ion implantation to doses of 1 × 10{sup 14}, 1 × 10{sup 15} and 1 × 10{sup 16} ion/cm{sup 2} and energies of 20 keV (for C and Ar) and 40 keV (for Ag). Infrared spectroscopy (IRS) indicates that destructive processes accompanied by chemical bond (−C=O) generation are induced by implantation, and X-ray photoelectron spectroscopy (XPS) analysis indicates that the implanted silver is in a metallic Ag3d state without stable chemical bond formation with polymer chains. Ion implantation is found to affect the surface energy: the polar component increases while the dispersion part decreases with increasing implantation dose. Surface roughness is greater after ion implantation and the hydrophobicity increases with increasing dose, for all ion species. We find that ion implantation of Ag, Ar and C leads to a reduction in the polymer microhardness by a factor of five, while the surface electrical resistivity declines modestly.

  10. Properties of bare strange stars associated with surface electric fields

    International Nuclear Information System (INIS)

    Picanco Negreiros, Rodrigo; Mishustin, Igor N.; Schramm, Stefan; Weber, Fridolin

    2010-01-01

    In this paper we investigate the electrodynamic surface properties of bare strange quark stars. The surfaces of such objects are characterized by the formation of ultrahigh electric surface fields which might be as high as ∼10 19 V/cm. These fields result from the formation of electric dipole layers at the stellar surfaces. We calculate the increase in gravitational mass associated with the energy stored in the electric dipole field, which turns out to be only significant if the star possesses a sufficiently strong net electric charge distribution. In the second part of the paper, we explore the intriguing possibility of what happens when the electron layer (sphere) rotates with respect to the stellar strange matter body. We find that in this event magnetic fields can be generated which, for moderate effective rotational frequencies between the electron layer and the stellar body, agree with the magnetic fields inferred for several central compact objects. These objects could thus be comfortably interpreted as strange stars whose electron atmospheres rotate at frequencies that are moderately different (∼10 Hz) from the rotational frequencies of the strange star itself.

  11. Engineered Surface Properties of Porous Tungsten from Cryogenic Machining

    Science.gov (United States)

    Schoop, Julius Malte

    Porous tungsten is used to manufacture dispenser cathodes due to it refractory properties. Surface porosity is critical to functional performance of dispenser cathodes because it allows for an impregnated ceramic compound to migrate to the emitting surface, lowering its work function. Likewise, surface roughness is important because it is necessary to ensure uniform wetting of the molten impregnate during high temperature service. Current industry practice to achieve surface roughness and surface porosity requirements involves the use of a plastic infiltrant during machining. After machining, the infiltrant is baked and the cathode pellet is impregnated. In this context, cryogenic machining is investigated as a substitutionary process for the current plastic infiltration process. Along with significant reductions in cycle time and resource use, surface quality of cryogenically machined un-infiltrated (as-sintered) porous tungsten has been shown to significantly outperform dry machining. The present study is focused on examining the relationship between machining parameters and cooling condition on the as-machined surface integrity of porous tungsten. The effects of cryogenic pre-cooling, rake angle, cutting speed, depth of cut and feed are all taken into consideration with respect to machining-induced surface morphology. Cermet and Polycrystalline diamond (PCD) cutting tools are used to develop high performance cryogenic machining of porous tungsten. Dry and pre-heated machining were investigated as a means to allow for ductile mode machining, yet severe tool-wear and undesirable smearing limited the feasibility of these approaches. By using modified PCD cutting tools, high speed machining of porous tungsten at cutting speeds up to 400 m/min is achieved for the first time. Beyond a critical speed, brittle fracture and built-up edge are eliminated as the result of a brittle to ductile transition. A model of critical chip thickness ( hc ) effects based on cutting

  12. Surface orientation effects on bending properties of surgical mesh are independent of tensile properties.

    Science.gov (United States)

    Simon, David D; Andrews, Sharon M; Robinson-Zeigler, Rebecca; Valdes, Thelma; Woods, Terry O

    2018-02-01

    Current mechanical testing of surgical mesh focuses primarily on tensile properties even though implanted devices are not subjected to pure tensile loads. Our objective was to determine the flexural (bending) properties of surgical mesh and determine if they correlate with mesh tensile properties. The flexural rigidity values of 11 different surgical mesh designs were determined along three textile directions (machine, cross-machine, and 45° to machine; n = 5 for each) using ASTM D1388-14 while tracking surface orientation. Tensile testing was also performed on the same specimens using ASTM D882-12. Linear regressions were performed to compare mesh flexural rigidity to mesh thickness, areal mass density, filament diameter, ultimate tensile strength, and maximum extension. Of 33 mesh specimen groups, 30 had significant differences in flexural rigidity values when comparing surface orientations (top and bottom). Flexural rigidity and mesh tensile properties also varied with textile direction (machine and cross-machine). There was no strong correlation between the flexural and tensile properties, with mesh thickness having the best overall correlation with flexural rigidity. Currently, surface orientation is not indicated on marketed surgical mesh, and a single mesh may behave differently depending on the direction of loading. The lack of correlation between flexural stiffness and tensile properties indicates the need to examine mesh bending stiffness to provide a more comprehensive understanding of surgical mesh mechanical behaviors. Further investigation is needed to determine if these flexural properties result in the surgical mesh behaving mechanically different depending on implantation direction. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 854-862, 2018. © 2017 Wiley Periodicals, Inc.

  13. Electronic properties of semiconductor surfaces and metal/semiconductor interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Tallarida, M.

    2005-05-15

    This thesis reports investigations of the electronic properties of a semiconductor surface (silicon carbide), a reactive metal/semiconductor interface (manganese/silicon) and a non-reactive metal/semiconductor interface (aluminum-magnesium alloy/silicon). The (2 x 1) reconstruction of the 6H-SiC(0001) surface has been obtained by cleaving the sample along the (0001) direction. This reconstruction has not been observed up to now for this compound, and has been compared with those of similar elemental semiconductors of the fourth group of the periodic table. This comparison has been carried out by making use of photoemission spectroscopy, analyzing the core level shifts of both Si 2p and C 1s core levels in terms of charge transfer between atoms of both elements and in different chemical environments. From this comparison, a difference between the reconstruction on the Si-terminated and the C-terminated surface was established, due to the ionic nature of the Si-C bond. The growth of manganese films on Si(111) in the 1-5 ML thickness range has been studied by means of LEED, STM and photoemission spectroscopy. By the complementary use of these surface science techniques, two different phases have been observed for two thickness regimes (<1 ML and >1 ML), which exhibit a different electronic character. The two reconstructions, the (1 x 1)-phase and the ({radical}3 x {radical}3)R30 -phase, are due to silicide formation, as observed in core level spectroscopy. The growth proceeds via island formation in the monolayer regime, while the thicker films show flat layers interrupted by deep holes. On the basis of STM investigations, this growth mode has been attributed to strain due to lattice mismatch between the substrate and the silicide. Co-deposition of Al and Mg onto a Si(111) substrate at low temperature (100K) resulted in the formation of thin alloy films. By varying the relative content of both elements, the thin films exhibited different electronic properties

  14. Effects of a Chitosan Coating Layer on the Surface Properties and Barrier Properties of Kraft Paper

    Directory of Open Access Journals (Sweden)

    Shanhui Wang

    2016-01-01

    Full Text Available Biodegradable chitosan can be applied as a coating on the surface of kraft paper in order to improve its barrier properties against water vapor and air. The food packaging industry can benefit from the addition of chitosan to its current packaging, and in turn reduce pollution from plastic packaging plants. This paper discusses the film formation of chitosan, the permeability of paper coated with a chitosan layer, and the influence on the paper’s surface and barrier properties under different process conditions. SEM (scanning electron microscope, AFM (atomic force microscope, ATR-FTIR (Fourier transmission infrared spectroscope with attenuated total reflection, and PDA (penetration dynamics analysis were used to analyze the properties of chitosan’s film formation and permeability. A controlled experiment showed that the chitosan layer was smoother than the surface of the uncoated kraft paper, had better film formation, and that there was no chitosan penetration through the kraft paper. The barrier properties against water vapor were strongest when there was a higher concentration of chitosan solution at the optimum pH, stirring speed, and those with a thicker coating on the kraft paper.

  15. Adsorption of F{sub 2}C=CFCl on TiO{sub 2} nano-powder: Structures, energetics and vibrational properties from DRIFT spectroscopy and periodic quantum chemical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Tasinato, Nicola, E-mail: tasinato@unive.it; Moro, Daniele; Stoppa, Paolo; Pietropolli Charmet, Andrea; Toninello, Piero; Giorgianni, Santi

    2015-10-30

    Graphical abstract: - Highlights: • Adsorption of F{sub 2}C=CFCl on TiO{sub 2} unveiled by DRIFTS and periodic DFT. • Structural, energetic and vibrational properties of F{sub 2}C=CFCl @ anatase (1 0 1). • Binding energies (B3LYP-D2) between −17 and −46 kJ mol{sup −1} depending on the anchor point. • Theory and experiment converge on the CF{sub 2} moiety as the main anchor point. - Abstract: Photodegradation over titanium dioxide (TiO{sub 2}) is a very appealing technology for removing environmental pollutants from the air, the adsorption interaction being the first step of the whole reaction pathway. In the present work the adsorption of F{sub 2}C=CFCl (chlorotrifluoroethene, halon 1113), a compound used by industry and detected in the atmosphere, on a commercial TiO{sub 2} nano-powder is investigated experimentally by in situ DRIFT spectroscopy and theoretically through periodic ab initio calculations rooted in DFT. The spectra of the adsorbed molecule suggest that the anchoring to the surface mainly takes place through F atoms. Theoretically, five adsorption configurations for the molecule interacting with the anatase (1 0 1) surface are simulated at B3LYP level and for each of them, structures, binding energies and vibrational frequencies are derived. The interplay between theory and experiments shows the coexistence of different adsorption configurations, the foremost ones featuring the interaction of one F atom with a fivefold coordinated Ti{sup 4+} of the surface. These two adsorption models, which mostly differ for the orientation of the adsorbate with respect to the surface, feature a binding energy of −45.6 and −41.0 kJ mol{sup −1} according to dispersion corrected DFT calculations. The favorable adsorption interaction appears as an important requirement toward the application of titanium dioxide technologies for the photocatalytic degradation of halon 1113.

  16. Surface ferromagnetism and superconducting properties of nanocrystalline niobium nitride

    International Nuclear Information System (INIS)

    Shipra, R.; Kumar, Nitesh; Sundaresan, A.

    2013-01-01

    Nanocrystalline δ-NbN x samples have been synthesized by reacting NbCl 5 and urea at three different temperatures. A comparison of their structural, magnetic, transport and thermal properties is reported in the present study. The size of the particles and their agglomeration extent increase with increasing reaction temperature. The sample prepared at 900 °C showed the highest superconducting transition temperature (T c ) of 16.2 K with a transition width, ∼1.8 K, as obtained from the resistivity measurement on cold-pressed bars. Above T c , magnetization measurements revealed the presence of surface ferromagnetism which coexists with superconductivity below T c . Heat capacity measurements confirm superconductivity with strong electron–phonon coupling constant. The sample prepared at 800 °C shows a lower T c (10 K) while that prepared at 700 °C exhibit no superconductivity down to the lowest temperature (3 K) measured. - Highlights: ► Synthesis of δ-NbN nanoparticles by urea nitridation of NbCl 5 . ► Superconducting transition temperature (T c ) is 16.2 K. ► Superconductivity and surface ferromagnetism coexist in the nanoparticles. ► Effect of size and agglomeration on the physical properties of nanoparticles

  17. Yttrium ion implantation on the surface properties of magnesium

    International Nuclear Information System (INIS)

    Wang, X.M.; Zeng, X.Q.; Wu, G.S.; Yao, S.S.

    2006-01-01

    Owing to their excellent physical and mechanical properties, magnesium and its alloys are receiving more attention. However, their application has been limited to the high reactivity and the poor corrosion resistance. The aim of the study was to investigate the beneficial effects of ion-implanted yttrium using a MEVVA ion implanter on the surface properties of pure magnesium. Isothermal oxidation tests in pure O 2 at 673 and 773 K up to 90 min indicated that the oxidation resistance of magnesium had been significantly improved. Surface morphology of the oxide scale was analyzed using scanning electron microscope (SEM). Auger electron spectroscopy (AES) and X-ray diffraction (XRD) analyses indicated that the implanted layer was mainly composed of MgO and Y 2 O 3 , and the implanted layer with a duplex structure could decrease the inward diffusion of oxygen and reduce the outward diffusion of Mg 2+ , which led to improving the oxidation resistance of magnesium. Potentiodynamic polarization curves were used to evaluate the corrosion resistance of the implanted magnesium. The results show yttrium implantation could enhance the corrosion resistance of implanted magnesium compared with that of pure magnesium

  18. Properties and cleanability of new and traditional agricultural surface materials

    Directory of Open Access Journals (Sweden)

    J. MÄÄTTÄ

    2008-12-01

    Full Text Available The aim of the present study was to evaluate new and traditional surface materials for use in cattle barns. The evaluated concrete materials had different compositions and included different additives and coatings. Contact angle meter, optical profilometry and scanning electron microscopy SEM were used for characterization of surface properties. Radiochemical methods and a biochemical adenosine triphosphate ATP method were used to determine cleanability. A specific methodological aim was to examine the correlations between these determination methods. A statistically significant difference was observed between contact angles of non-coated concretes, coated concretes and joint materials. In general, coatings smoothened surfaces and the joint materials were the roughest surfaces, as illustrated by profilometry and SEM. On the basis of the radiochemical determination methods, coatings improved the cleanability of concrete. An epoxy joint material was cleaned efficiently from the oil model soil and from the labelled feed soil when compared to the two cement-based joint materials. According to the results of the biochemical ATP method the manure test soil was cleaned better from a concrete including inorganic sealant than from the other materials examined. The cleanability results of oil model soil used in the radiochemical method correlated with the results of the test feed soil used in the biochemical ATP method. Both determination methods of cleanability appeared to be suitable for examining the cleanability of surfaces soiled with agricultural soils. Only the radiochemical determination gives detailed quantitative results, but it can be used only in laboratory studies. The results of this laboratory study will be used for selecting materials for a pilot study in a cattle barn.;

  19. Surface Estimation, Variable Selection, and the Nonparametric Oracle Property.

    Science.gov (United States)

    Storlie, Curtis B; Bondell, Howard D; Reich, Brian J; Zhang, Hao Helen

    2011-04-01

    Variable selection for multivariate nonparametric regression is an important, yet challenging, problem due, in part, to the infinite dimensionality of the function space. An ideal selection procedure should be automatic, stable, easy to use, and have desirable asymptotic properties. In particular, we define a selection procedure to be nonparametric oracle (np-oracle) if it consistently selects the correct subset of predictors and at the same time estimates the smooth surface at the optimal nonparametric rate, as the sample size goes to infinity. In this paper, we propose a model selection procedure for nonparametric models, and explore the conditions under which the new method enjoys the aforementioned properties. Developed in the framework of smoothing spline ANOVA, our estimator is obtained via solving a regularization problem with a novel adaptive penalty on the sum of functional component norms. Theoretical properties of the new estimator are established. Additionally, numerous simulated and real examples further demonstrate that the new approach substantially outperforms other existing methods in the finite sample setting.

  20. Surface properties, solubility and dissolution kinetics of bamboo phytoliths

    Science.gov (United States)

    Fraysse, Fabrice; Pokrovsky, Oleg S.; Schott, Jacques; Meunier, Jean-Dominique

    2006-04-01

    Although phytoliths, constituted mainly by micrometric opal, exhibit an important control on silicon cycle in superficial continental environments, their thermodynamic properties and reactivity in aqueous solution are still poorly known. In this work, we determined the solubility and dissolution rates of bamboo phytoliths collected in the Réunion Island and characterized their surface properties via electrophoretic measurements and potentiometric titrations in a wide range of pH. The solubility product of "soil" phytoliths ( pKsp0=2.74 at 25 °C) is equal to that of vitreous silica and is 17 times higher than that of quartz. Similarly, the enthalpy of phytoliths dissolution reaction (ΔHr25-80°C=10.85kJ/mol) is close to that of amorphous silica but is significantly lower than the enthalpy of quartz dissolution. Electrophoretic measurements yield isoelectric point pH IEP = 1.2 ± 0.1 and 2.5 ± 0.2 for "soil" (native) and "heated" (450 °C heating to remove organic matter) phytoliths, respectively. Surface acid-base titrations allowed generation of a 2-p K surface complexation model. Phytoliths dissolution rates, measured in mixed-flow reactors at far from equilibrium conditions at 2 ⩽ pH ⩽ 12, were found to be intermediate between those of quartz and vitreous silica. The dissolution rate dependence on pH was modeled within the concept of surface coordination theory using the equation: R=k1·{>SiOH2+}n+k2·{>SiOH0}+k3·{>SiO-}m, where {> i} stands for the concentration of the surface species present at the SiO 2-H 2O interface, ki are the rate constants of the three parallel reactions and n and m represent the order of the proton- and hydroxy-promoted reactions, respectively. It follows from the results of this study that phytoliths dissolution rates exhibit a minimum at pH ˜ 3. This can explain their good preservation in the acidic soil horizons of Réunion Island. In terms of silicon biogeochemical cycle, phytoliths represent a large buffering reservoir

  1. Micromechanical and surface adhesive properties of single saccharomyces cerevisiae cells

    Science.gov (United States)

    Farzi, Bahman; Cetinkaya, Cetin

    2017-09-01

    The adhesion and mechanical properties of a biological cell (e.g. cell membrane elasticity and adhesiveness) are often strong indicators for the state of its health. Many existing techniques for determining mechanical properties of cells require direct physical contact with a single cell or a group of cells. Physical contact with the cell can trigger complex mechanotransduction mechanisms, leading to cellular responses, and consequently interfering with measurement accuracy. In the current work, based on ultrasonic excitation and interferometric (optical) motion detection, a non-contact method for characterizing the adhesion and mechanical properties of single cells is presented. It is experimentally demonstrated that the rocking (rigid body) motion and internal vibrational resonance frequencies of a single saccharomyces cerevisiae (SC) (baker’s yeast) cell can be acquired with the current approach, and the Young’s modulus and surface tension of the cell membrane as well as surface adhesion energy can be extracted from the values of these acquired resonance frequencies. The detected resonance frequency ranges for single SC cells include a rocking (rigid body) frequency of 330  ±  70 kHz and two breathing resonance frequencies of 1.53  ±  0.12 and 2.02  ±  0.31 MHz. Based on these values, the average work-of-adhesion of SC cells on a silicon substrate in aqueous medium is extracted, for the first time, as WASC-Si=16.2+/- 3.8 mJ {{m}-2} . Similarly, the surface tension and the Young’s modulus of the SC cell wall are predicted as {{σ }SC}=0.16+/- 0.02 N {{m}-1} and {{E}SC}= 9.20  ±  2.80 MPa, respectively. These results are compared to those reported in the literature by utilizing various methods, and good agreements are found. The current approach eliminates the measurement inaccuracies associated with the physical contact. Exciting and detecting cell dynamics at micro-second time-scales is significantly faster than the

  2. Conditioning of Si-interfaces by wet-chemical oxidation: Electronic interface properties study by surface photovoltage measurements

    International Nuclear Information System (INIS)

    Angermann, Heike

    2014-01-01

    Highlights: • Determination of electronic interface properties by contact-less surface photovoltage (SPV) technique. • Systematic correlations of substrate morphology and surface electronic properties. • Optimization of surface pre-treatment for flat, saw damage etched, and textured Si solar cell substrates. • Ultra-thin passivating Si oxide layers with low densities of rechargeable states by wet-chemical oxidation and subsequent annealing. • Environmentally acceptable processes, utilizing hot water, diluted HCl, or ozone low cost alternative to current approaches with concentrated chemicals. • The effect of optimized wet-chemical pre-treatments can be preserved during subsequent layer deposition. - Abstract: The field-modulated surface photovoltage (SPV) method, a very surface sensitive technique, was utilized to determine electronic interface properties on wet-chemically oxidized and etched silicon (Si) interfaces. The influence of preparation-induced surface micro-roughness and un-stoichiometric oxides on the resulting the surface charge, energetic distribution D it (E), and density D it,min of rechargeable states was studied by simultaneous, spectroscopic ellipsometry (SE) measurements on polished Si(111) and Si(100) substrates. Based on previous findings and new research, a study of conventional and newly developed wet-chemical oxidation methods was established, correlating the interactions between involved oxidizing and etching solutions and the initial substrate morphology to the final surface conditioning. It is shown, which sequences of wet-chemical oxidation and oxide removal, have to be combined in order to achieve atomically smooth, hydrogen terminated surfaces, as well as ultra-thin oxide layers with low densities of rechargeable states on flat, saw damage etched, and textured Si substrates, as commonly applied in silicon device and solar cell manufacturing. These conventional strategies for wet-chemical pre-treatment are mainly based on

  3. Toward a Modular Ionic Liquid Platform for the Custom Design of Energetic Materials: Understanding How the Dual Nature of Ionic Liquids Relates Key Physical Properties to Target Structures

    Science.gov (United States)

    2009-11-30

    Separations to Advanced Materials to Pharmaceuticals: Energetic and API Examples from the Ionic Liquid Cookbook" Presented by R. D. Rogers, before the 2nd...3322 (s), 3219 (s), 3144 (s), 1687 (m), 1571 (s), 1516 (s), 1468 (m), 1435 (m), 1380 (s), 1277 (s), 1205 (s), 1139 (s), 1104 (w), 1043 (w), 1014 (s

  4. Improvement of carbon fibre surface properties using electron beam irradiation

    International Nuclear Information System (INIS)

    Eddy Segura Pino; Luci Diva Brocardo Machado; Claudia Giovedi

    2006-01-01

    Carbon fiber-reinforced advance composites have been used for structural applications, mainly due to their mechanical properties, and additional features such as high strength-to-weight ratio, stiffness-to-weight ratio, corrosion resistance and wear properties. The main factor for a good mechanical performance of carbon fiber-reinforced composite is the interfacial interaction between the components that are fiber and polymeric matrix. The greatest challenge is to improve adhesion between components having elasticity modulus which differ by orders of magnitude and furthermore they are immiscible in each other. Another important factor is the sizing material on the carbon fiber, which protects the carbon fiber filaments and must be compatible with the matrix material in order to improve the adhesion process. The interaction of ionizing radiation from electron beam can induce in the irradiated material the formation of very active centers and free radicals. Further evolution of these active species can significantly modify structure and properties not only in the irradiated polymeric matrix but also on the fiber surface. So that, fiber and matrix play an important role in the production of chemical bonds, which promote better adhesion between both materials improving the composite mechanical performance. The aim of this work was to improve the surface properties of the carbon fiber surface using ionizing radiation from an electron beam in order to obtain improvement of the adhesion properties in the resulted composite. Commercial carbon fiber roving of high tensile strength with 12 000 filaments named 12 k, and sizing material of epoxy resin modified by ester groups was studied. EB irradiation has been carried out at the Institute for Nuclear and Energy Research (IPEN) facilities using a 1.5 MeV 37.5 kW Dynamitron electron accelerator model JOB-188. Rovings of carbon fibers with 1.78 g cm -3 density and 0.13 mm thickness were irradiated with 0.555 MeV, 6.43 mA and

  5. Intermolecular potential energy surface and thermophysical properties of propane.

    Science.gov (United States)

    Hellmann, Robert

    2017-03-21

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

  6. Substrate texture properties induce triatomine probing on bitten warm surfaces

    Directory of Open Access Journals (Sweden)

    Lorenzo Marcelo G

    2011-06-01

    Full Text Available Abstract Background In this work we initially evaluated whether the biting process of Rhodnius prolixus relies on the detection of mechanical properties of the substrate. A linear thermal source was used to simulate the presence of a blood vessel under the skin of a host. This apparatus consisted of an aluminium plate and a nickel-chrome wire, both thermostatized and presented at 33 and 36°C, respectively. To evaluate whether mechanical properties of the substrate affect the biting behaviour of bugs, this apparatus was covered by a latex membrane. Additionally, we evaluated whether the expression of probing depends on the integration of bilateral thermal inputs from the antennae. Results The presence of a latex cover on a thermal source induced a change in the biting pattern shown by bugs. In fact, with latex covered sources it was possible to observe long bites that were never performed in response to warm metal surfaces. The total number of bites was higher in intact versus unilaterally antennectomized insects. These bites were significantly longer in intact than in unilaterally antennectomized insects. Conclusions Our results suggest that substrate recognition by simultaneous input through thermal and mechanical modalities is required for triggering maxillary probing activity.

  7. Mapping surface properties of sinusoidal roughness standards by TPM

    International Nuclear Information System (INIS)

    Liu, X; Rubert, P

    2005-01-01

    We report our investigation on the surface properties of sinusoidal roughness standards made from pure electroformed nickel. Two specimens having a sinusoidal profile with nominal R a of 0.36 μm and a peak spacing of 25 μm are chosen for this investigation. One specimen is further treated with a hard protective coating of nickel-boron. The surface topography, friction, hardness and Young's modulus of the specimens were measured by a novel instrument, the multi-function Tribological Probe Microscope (TPM). The results show that hardness of these two specimens is 14.1 GPa for uncoated specimen and 25.7 GPa for the coated one, while the Young's modulus is 188 GPa and 225 GPa, respectively. The ramping force was set to 3mN for both the specimens and the effect of the tip penetration was investigated by comparing the topography measurements before and after hardness mapping. It has been found out that there is no significant change in the averaged profiles over the scanned area, which indicates the topography distortion seen in the multi-function mapping, is recoverable. Cross correlation between topography and its corresponding hardness/Young's modulus has been carried out and the result will be discussed in the paper

  8. Surface molecular aggregation structure and surface physicochemical properties of poly(fluoroalkyl acrylate) thin films

    International Nuclear Information System (INIS)

    Honda, K; Yamaguchi, H; Takahara, A; Kobayashi, M; Morita, M

    2008-01-01

    Effect of side chain length on the molecular aggregation states and surface properties of poly(fluoroalkyl acrylate)s [PFA-C y , where y is fluoromethylene number in R f group] thin films were systematically investigated. Spin-coated PFA-C y thin films were characterized by static and dynamic contact angle measurements, X-ray photoelectron spectroscopy (XPS), and grazing- incidence X-ray diffraction (GIXD). The receding contact angles showed small values for PFA-C y with short side chain (y≤6) and increased above y≥8. GIXD revealed that fluoroalkyl side chain of PFA-C y with y≥8 was crystallized and formed ordered structures at the surface region as well as bulk one. These results suggest that water repellent mechanism of PFA-C y can be attributed to the presence of highly ordered fluoroalkyl side chains at the outermost surfaces. The results of XPS in the dry and hydrated states and contact angle measurement in water support the mechanism of lowering contact angle for water by exposure of carbonyl group to the water interface through reorientation of short fluoroalkyl chains. The surface nanotextured PFA-C 8 through imprinting of anodic aluminum oxide mold showed extremely high hydrophobicity as well as high oleophobicity

  9. Engineering interfacial properties of organic semiconductors through soft-contact lamination and surface functionalization

    Science.gov (United States)

    Shu, Andrew Leo

    Organic electronics is a topic of interest due to its potential for low temperature and solution processing for large area and flexible applications. Examples of organic electronic devices are already available on the market; however these are, in general, still rather expensive. In order to fully realize inexpensive and efficient organic electronics, the properties of organic films need to be understood and strategies developed to take advantage of these properties to improve device performance. This work focuses on two strategies that can be used to control charge transport at interfaces with active organic semiconducting thin films. These strategies are studied and verified with a range of photoemission spectroscopy, surface probe microscopy, and electrical measurements. Vacuum evaporated molecular organic devices have long used layer stacking of different materials as a method of dividing roles in a device and modifying energy level alignment to improve device performance and efficiency. Applying this type of architecture for solution-processed devices, on the other hand, is nontrivial, as an issue of removal of or mixing with underlying layers arises. We present and examine here soft-contact lamination as a viable technique for depositing solution-processed multilayer structures. The energetics at homojunctions of a couple of air-stable polymers is investigated. Charge transport is then compared between a two-layer film and a single-layer film of equivalent thicknesses. The interface formed by soft-contact lamination is found to be transparent with respect to electronic charge carriers. We also propose a technique for modifying electronic level alignment at active organic-organic heterojunctions using dipolar self-assembled monolayers (SAM). An ultra-thin metal oxide is first deposited via a gentle low temperature chemical vapor deposition as an adhesion layer for the SAM. The deposition is shown to be successful for a variety of organic films. A series of

  10. Adaptive Surface Modeling of Soil Properties in Complex Landforms

    Directory of Open Access Journals (Sweden)

    Wei Liu

    2017-06-01

    Full Text Available Abstract: Spatial discontinuity often causes poor accuracy when a single model is used for the surface modeling of soil properties in complex geomorphic areas. Here we present a method for adaptive surface modeling of combined secondary variables to improve prediction accuracy during the interpolation of soil properties (ASM-SP. Using various secondary variables and multiple base interpolation models, ASM-SP was used to interpolate soil K+ in a typical complex geomorphic area (Qinghai Lake Basin, China. Five methods, including inverse distance weighting (IDW, ordinary kriging (OK, and OK combined with different secondary variables (e.g., OK-Landuse, OK-Geology, and OK-Soil, were used to validate the proposed method. The mean error (ME, mean absolute error (MAE, root mean square error (RMSE, mean relative error (MRE, and accuracy (AC were used as evaluation indicators. Results showed that: (1 The OK interpolation result is spatially smooth and has a weak bull's-eye effect, and the IDW has a stronger ‘bull’s-eye’ effect, relatively. They both have obvious deficiencies in depicting spatial variability of soil K+. (2 The methods incorporating combinations of different secondary variables (e.g., ASM-SP, OK-Landuse, OK-Geology, and OK-Soil were associated with lower estimation bias. Compared with IDW, OK, OK-Landuse, OK-Geology, and OK-Soil, the accuracy of ASM-SP increased by 13.63%, 10.85%, 9.98%, 8.32%, and 7.66%, respectively. Furthermore, ASM-SP was more stable, with lower MEs, MAEs, RMSEs, and MREs. (3 ASM-SP presents more details than others in the abrupt boundary, which can render the result consistent with the true secondary variables. In conclusion, ASM-SP can not only consider the nonlinear relationship between secondary variables and soil properties, but can also adaptively combine the advantages of multiple models, which contributes to making the spatial interpolation of soil K+ more reasonable.

  11. The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density.

    Science.gov (United States)

    Varadwaj, Pradeep R; Marques, Helder M

    2010-03-07

    Spin-unrestricted DFT-X3LYP/6-311++G(d,p) calculations have been performed on a series of complexes of the form [Co(H(2)O)(6-n)(NH(3))(n)](2+) (n = 0-6) to examine their equilibrium gas-phase structures, energetics, and electronic properties in their quartet electronic ground states. In all cases Co(2+) in the energy-minimised structures is in a pseudo-octahedral environment. The calculations overestimate the Co-O and Co-N bond lengths by 0.04 and 0.08 A, respectively, compared to the crystallographically observed mean values. There is a very small Jahn-Teller distortion in the structure of [Co(H(2)O)(6)](2+) which is in contrast to the very marked distortions observed in most (but not all) structures of this cation that have been observed experimentally. The successive replacement of ligated H(2)O by NH(3) leads to an increase in complex stability by 6 +/- 1 kcal mol(-1) per additional NH(3) ligand. Calculations using UB3LYP give stabilisation energies of the complexes about 5 kcal mol(-1) smaller and metal-ligand bond lengths about 0.005 A longer than the X3LYP values since the X3LYP level accounts for the London dispersion energy contribution to the overall stabilisation energy whilst it is largely missing at the B3LYP level. From a natural population analysis (NPA) it is shown that the formation of these complexes is accompanied by ligand-to-metal charge transfer the extent of which increases with the number of NH(3) ligands in the coordination sphere of Co(2+). From an examination of the topological properties of the electron charge density using Bader's quantum theory of atoms in molecules it is shown that the electron density rho(c) at the Co-O bond critical points is generally smaller than that at the Co-N bond critical points. Hence Co-O bonds are weaker than Co-N bonds in these complexes and the stability increases as NH(3) replaces H(2)O in the metal's coordination sphere. Several indicators, including the sign and magnitude of the Laplacian of the

  12. Safer energetic materials by a nanotechnological approach

    Science.gov (United States)

    Siegert, Benny; Comet, Marc; Spitzer, Denis

    2011-09-01

    Energetic materials - explosives, thermites, populsive powders - are used in a variety of military and civilian applications. Their mechanical and electrostatic sensitivity is high in many cases, which can lead to accidents during handling and transport. These considerations limit the practical use of some energetic materials despite their good performance. For industrial applications, safety is one of the main criteria for selecting energetic materials. The sensitivity has been regarded as an intrinsic property of a substance for a long time. However, in recent years, several approaches to lower the sensitivity of a given substance, using nanotechnology and materials engineering, have been described. This feature article gives an overview over ways to prepare energetic (nano-)materials with a lower sensitivity.Energetic materials - explosives, thermites, populsive powders - are used in a variety of military and civilian applications. Their mechanical and electrostatic sensitivity is high in many cases, which can lead to accidents during handling and transport. These considerations limit the practical use of some energetic materials despite their good performance. For industrial applications, safety is one of the main criteria for selecting energetic materials. The sensitivity has been regarded as an intrinsic property of a substance for a long time. However, in recent years, several approaches to lower the sensitivity of a given substance, using nanotechnology and materials engineering, have been described. This feature article gives an overview over ways to prepare energetic (nano-)materials with a lower sensitivity. Electronic supplementary information (ESI) available: Experimental details for the preparation of the V2O5@CNF/Al nanothermite; X-ray diffractogram of the V2O5@CNF/Al combustion residue; installation instructions and source code for the nt-timeline program. See DOI: 10.1039/c1nr10292c

  13. Anisotropic surface chemistry properties and adsorption behavior of silicate mineral crystals.

    Science.gov (United States)

    Xu, Longhua; Tian, Jia; Wu, Houqin; Fang, Shuai; Lu, Zhongyuan; Ma, Caifeng; Sun, Wei; Hu, Yuehua

    2018-03-07

    Anisotropic surface properties of minerals play an important role in a variety of fields. With a focus on the two most intensively investigated silicate minerals (i.e., phyllosilicate minerals and pegmatite aluminosilicate minerals), this review highlights the research on their anisotropic surface properties based on their crystal structures. Four surface features comprise the anisotropic surface chemistry of minerals: broken bonds, energy, wettability, and charge. Analysis of surface broken bond and energy anisotropy helps to explain the cleavage and growth properties of mineral crystals, and understanding surface wettability and charge anisotropy is critical to the analysis of minerals' solution behavior, such as their flotation performance and rheological properties. In a specific reaction, the anisotropic surface properties of minerals are reflected in the adsorption strengths of reagents on different mineral surfaces. Combined with the knowledge of mineral crushing and grinding, a thorough understanding of the anisotropic surface chemistry properties and the anisotropic adsorption behavior of minerals will lead to the development of effective relational models comprising their crystal structure, surface chemistry properties, and targeted reagent adsorption. Overall, such a comprehensive approach is expected to firmly establish the connection between selective cleavage of mineral crystals for desired surfaces and designing novel reagents selectively adsorbed on the mineral surfaces. As tools to characterize the anisotropic surface chemistry properties of minerals, DLVO theory, atomic force microscopy (AFM), and molecular dynamics (MD) simulations are also reviewed. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Designed cellulose nanocrystal surface properties for improving barrier properties in polylactide nanocomposites.

    Science.gov (United States)

    Espino-Pérez, Etzael; Bras, Julien; Almeida, Giana; Plessis, Cédric; Belgacem, Naceur; Perré, Patrick; Domenek, Sandra

    2018-03-01

    Nanocomposites are an opportunity to increase the performance of polymer membranes by fine-tuning their morphology. In particular, the understanding of the contribution of the polymer matrix/nanofiller interface to the overall transport properties is key to design membranes with tailored selective and adsorptive properties. In that aim, cellulose nanocrystals (CNC)/polylactide (PLA) nanocomposites were fabricated with chemically designed interfaces, which were ensuring the compatibility between the constituents and impacting the mass transport mechanism. A detailed analysis of the mass transport behaviour of different permeants in CNC/PLA nanocomposites was carried out as a function of their chemical affinity to grafted CNC surfaces. Penetrants (O 2 and cyclohexane), which were found to slightly interact with the constituents of the nanocomposites, provided information on the small tortuosity effect of CNC on diffusive mass transport. The mass transport of water (highly interacting with CNC) and anisole (interacting only with designed CNC surfaces) exhibited non-Fickian, Case II behaviour. The water vapour caused significant swelling of the CNC, which created a preferential pathway for mass transport. CNC surface grafting could attenuate this phenomenon and decrease the water transport rate. Anisole, an aromatic organic vapour, became reversibly trapped at the specifically designed CNC/PLA interface, but without any swelling or creation of an accelerated pathway. This caused the decrease of the overall mass transport rate. The latter finding could open a way to the creation of materials with specifically designed barrier properties by designing nanocomposites interfaces with specific interactions towards permeants. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Characterization of gloss properties of differently treated polymer coating surfaces by surface clarity measurement methodology.

    Science.gov (United States)

    Gruber, Dieter P; Buder-Stroisznigg, Michael; Wallner, Gernot; Strauß, Bernhard; Jandel, Lothar; Lang, Reinhold W

    2012-07-10

    With one measurement configuration, existing gloss measurement methodologies are generally restricted to specific gloss levels. A newly developed image-analytical gloss parameter called "clarity" provides the possibility to describe the perceptual result of a broad range of different gloss levels with one setup. In order to analyze and finally monitor the perceived gloss of products, a fast and flexible method also for the automated inspection is highly demanded. The clarity parameter is very fast to calculate and therefore usable for fast in-line surface inspection. Coated metal specimens were deformed by varying degree and polished afterwards in order to study the clarity parameter regarding the quantification of varying surface gloss types and levels. In order to analyze the correlation with the human gloss perception a study was carried out in which experts were asked to assess gloss properties of a series of surface samples under standardized conditions. The study confirmed clarity to exhibit considerably better correlation to the human perception than alternative gloss parameters.

  16. Chemical, mechanical and biological properties of contemporary composite surface sealers.

    Science.gov (United States)

    Anagnostou, Maria; Mountouris, George; Silikas, Nick; Kletsas, Dimitris; Eliades, George

    2015-12-01

    To evaluate the chemical, mechanical, and biological properties of modern composite surface sealers (CSS) having different compositions. The CSS products tested were Biscover LV (BC), Durafinish (DF), G-Coat Plus (GC), and Permaseal (PS). The tests performed were: (A): degree of conversion (DC%) by ATR-FTIR spectroscopy; (B): thickness of O2-inhibition layer by transmission optical microscopy; (C): surface hardness, 10 min after irradiation and following 1 week water storage, employing a Vickers indenter (VHN); (D): color (ΔE*) and gloss changes (ΔGU) after toothbrush abrasion, using L*a*b* colorimetry and glossimetry; (E): accelerated wear (GC,PS only) by an OHSU wear simulator plus 3D profilometric analysis, and (F): cytotoxicity testing of aqueous CSS eluents on human gingival fibroblast cultures employing the methyl-(3)H thymidine DNA labeling method. Statistical analyses included 1-way (A, B, ΔE*, ΔGU) and 2-way (C, F) ANOVAs, plus Tukey post hoc tests. Student's t-test was used to evaluate the results of the accelerated wear test (α=0.05 for all). The rankings of the statistical significant differences were: (A) PS (64.9)>DF,BC,GC (56.1-53.9) DC%; (B) DF,PS (12.3,9.8)>GC,BC (5.2,4.8) μm; (C): GC (37.6)>BC,DF (32.6,31.1)>PS (26.6) VHN (10 min/dry) and BC,DF (29.3,28.7)>GC(26.5)>PS(21.6) VHN (1w/water), with no significant material/storage condition interaction; (D): no differences were found among GC,DF,BC,PS (0.67-1.11) ΔE*, with all values within the visually acceptable range and PS,BC (32.8,29.4)>GC,DF (19.4,12.9) ΔGU; (E): no differences were found between GC and PS in volume loss (0.10,0.11 mm(3)), maximum (113.9,130.5 μm) and mean wear depths (30.3,27.5 μm); (F): at 1% v/v concentration, DF showed toxicity (23% vital cells vs 95-102% for others). However, at 5% v/v concentration DF (0%) and BC (9%) were the most toxic, whereas GC (58%) and PS (56%) showed moderate toxicity. Important chemical, mechanical, and biological properties exist among

  17. Energetic certification in Europe

    International Nuclear Information System (INIS)

    1998-01-01

    At community level the problem of energy quality control in a building was introduced by EEC recommendation n. 93/76 in 1993. In this item are reported some notes on energetic certification in European countries [it

  18. Energetics Laboratory Facilities

    Data.gov (United States)

    Federal Laboratory Consortium — These energetic materials laboratories are equipped with explosion proof hoods with blow out walls for added safety, that are certified for safe handling of primary...

  19. Validation of a laboratory method for evaluating dynamic properties of reconstructed equine racetrack surfaces.

    Directory of Open Access Journals (Sweden)

    Jacob J Setterbo

    Full Text Available Racetrack surface is a risk factor for racehorse injuries and fatalities. Current research indicates that race surface mechanical properties may be influenced by material composition, moisture content, temperature, and maintenance. Race surface mechanical testing in a controlled laboratory setting would allow for objective evaluation of dynamic properties of surface and factors that affect surface behavior.To develop a method for reconstruction of race surfaces in the laboratory and validate the method by comparison with racetrack measurements of dynamic surface properties.Track-testing device (TTD impact tests were conducted to simulate equine hoof impact on dirt and synthetic race surfaces; tests were performed both in situ (racetrack and using laboratory reconstructions of harvested surface materials. Clegg Hammer in situ measurements were used to guide surface reconstruction in the laboratory. Dynamic surface properties were compared between in situ and laboratory settings. Relationships between racetrack TTD and Clegg Hammer measurements were analyzed using stepwise multiple linear regression.Most dynamic surface property setting differences (racetrack-laboratory were small relative to surface material type differences (dirt-synthetic. Clegg Hammer measurements were more strongly correlated with TTD measurements on the synthetic surface than the dirt surface. On the dirt surface, Clegg Hammer decelerations were negatively correlated with TTD forces.Laboratory reconstruction of racetrack surfaces guided by Clegg Hammer measurements yielded TTD impact measurements similar to in situ values. The negative correlation between TTD and Clegg Hammer measurements confirms the importance of instrument mass when drawing conclusions from testing results. Lighter impact devices may be less appropriate for assessing dynamic surface properties compared to testing equipment designed to simulate hoof impact (TTD.Dynamic impact properties of race surfaces

  20. Tailoring Novel PTFE Surface Properties: Promoting Cell Adhesion and Antifouling Properties via a Wet Chemical Approach.

    Science.gov (United States)

    Gabriel, Matthias; Niederer, Kerstin; Becker, Marc; Raynaud, Christophe Michel; Vahl, Christian-Friedrich; Frey, Holger

    2016-05-18

    Many biomaterials used for tissue engineering applications lack cell-adhesiveness and, in addition, are prone to nonspecific adsorption of proteins. This is especially important for blood-contacting devices such as vascular grafts and valves where appropriate surface properties should inhibit the initial attachment of platelets and promote endothelial cell colonization. As a consequence, the long-term outcome of the implants would be improved and the need for anticoagulation therapy could be reduced or even abolished. Polytetrafluoroethylene (PTFE), a frequently used polymer for various medical applications, was wet-chemically activated and subsequently modified by grafting the endothelial cell (EC) specific peptide arginine-glutamic acid-aspartic acid-valine (REDV) using a bifunctional polyethylene glycol (PEG)-spacer (known to reduce platelet and nonspecific protein adhesion). Modified and control surfaces were both evaluated in terms of EC adhesion, colonization, and the attachment of platelets. In addition, samples underwent bacterial challenges. The results strongly suggested that PEG-mediated peptide immobilization renders PTFE an excellent substrate for cellular growth while simultaneously endowing the material with antifouling properties.

  1. First-principles investigation of the electronic and Li-ion diffusion properties of LiFePO4 by sulfur surface modification

    International Nuclear Information System (INIS)

    Xu, Guigui; Zhong, Kehua; Zhang, Jian-Min; Huang, Zhigao

    2014-01-01

    We present a first-principles calculation for the electronic and Li-ion diffusion properties of the LiFePO 4 (010) surface modified by sulfur. The calculated formation energy indicates that the sulfur adsorption on the (010) surface of the LiFePO 4 is energetically favored. Sulfur is found to form Fe-S bond with iron. A much narrower band gap (0.67 eV) of the sulfur surface-modified LiFePO 4 [S-LiFePO 4 (010)] is obtained, indicating the better electronic conductive properties. By the nudged elastic band method, our calculations show that the activation energy of Li ions diffusion along the one-dimensional channel on the surface can be effectively reduced by sulfur surface modification. In addition, the surface diffusion coefficient of S-LiFePO 4 (010) is estimated to be about 10 −11 (cm 2 /s) at room temperature, which implies that sulfur modification will give rise to a higher Li ion carrier mobility and enhanced electrochemical performance

  2. Evaluating non-stick properties of different surface materials for contact frying

    DEFF Research Database (Denmark)

    Ashokkumar, Saranya; Adler-Nissen, Jens

    2011-01-01

    to evaluate non-stick and cleaning properties of the coatings. In accordance with industry standards pancake was selected as the food model for the non-stick properties. The performance of different frying surfaces (stainless steel, aluminium, PTFE (polytetrafluoroethylene) and three ceramic coatings with two...... on their non-stick properties, so that the smoother surfaces gave a higher force of adhesion between pancake and surface....

  3. Thermodynamic and surface properties of Sb–Sn and In–Sn liquid ...

    Indian Academy of Sciences (India)

    properties through the activity coefficients of the alloy components in the bulk. .... In the model for studying surface properties, a statistical mechanical approach .... experimental values of Scc(0) determined by fitting the experimental activity ...

  4. Model of coordination melting of crystals and anisotropy of physical and chemical properties of the surface

    Science.gov (United States)

    Bokarev, Valery P.; Krasnikov, Gennady Ya

    2018-02-01

    Based on the evaluation of the properties of crystals, such as surface energy and its anisotropy, the surface melting temperature, the anisotropy of the work function of the electron, and the anisotropy of adsorption, were shown the advantages of the model of coordination melting (MCM) in calculating the surface properties of crystals. The model of coordination melting makes it possible to calculate with an acceptable accuracy the specific surface energy of the crystals, the anisotropy of the surface energy, the habit of the natural crystals, the temperature of surface melting of the crystal, the anisotropy of the electron work function and the anisotropy of the adhesive properties of single-crystal surfaces. The advantage of our model is the simplicity of evaluating the surface properties of the crystal based on the data given in the reference literature. In this case, there is no need for a complex mathematical tool, which is used in calculations using quantum chemistry or modeling by molecular dynamics.

  5. Investigation of surface properties of physico-chemically modified natural fibres using inverse gas chromatography

    CSIR Research Space (South Africa)

    Cordeiro, N

    2011-01-01

    Full Text Available Inverse gas chromatography (IGC) is a suitable method to determine surface energy of natural fibres when compared to wetting techniques. In the present study, the surface properties of raw and modified lignocellulosic fibres have been investigated...

  6. Geotechnical properties of surface sediments in the INDEX area

    Digital Repository Service at National Institute of Oceanography (India)

    Khadge, N.H.

    As a part of the environmental impact assessment studies, geotechnical properties of sediments were determined in the Central Indian Basin. The undrained shear strength and index properties of the siliceous sediments were determined on 20 box cores...

  7. Surface morphology, structural and electrical properties of RF ...

    Indian Academy of Sciences (India)

    2018-05-19

    May 19, 2018 ... ITO thin films; sputtering; structure; electrical properties; AFM; Hall effect. 1. Introduction ... ness range (61–768 nm) and to see if this system present properties that .... using the Bragg equation, and the relation linking the inter-.

  8. Determination of Mechanical and Surface Properties of Semicrystalline Polyhedral Oligomeric Silsesquioxane (POSS) Nanocomposites

    National Research Council Canada - National Science Library

    Moody, Laura E; Marchant, Darrell; Grabow, Wade W; Lee, Andre Y; Mabry, Joseph M

    2005-01-01

    INTRODUCTION: (1) Nanomodification of semicrystalline polymers -- unequalled thermal, mechanical and surface properties at low volume fractions that cannot be obtained using conventional fillers; (2...

  9. Determination of Mechanical and Surface Properties of Semicrystalline Polyhedral Oligomeric Silsequioxane (POSS) Nanocomposites

    National Research Council Canada - National Science Library

    Moody, Laura E; Marchant, Darrell; Grabow, Wade W; Lee, Andre Y; Mabry, Joseph M

    2005-01-01

    .... This study examines the ability of POSS to improve the mechanical and surface properties of three semicrystalline polymers, fluorinated ethylene-propylene (FEP), poly(vinylidene fluoride) (PVDF...

  10. Modeling the Acid-Base Properties of Montmorillonite Edge Surfaces.

    Science.gov (United States)

    Tournassat, Christophe; Davis, James A; Chiaberge, Christophe; Grangeon, Sylvain; Bourg, Ian C

    2016-12-20

    The surface reactivity of clay minerals remains challenging to characterize because of a duality of adsorption surfaces and mechanisms that does not exist in the case of simple oxide surfaces: edge surfaces of clay minerals have a variable proton surface charge arising from hydroxyl functional groups, whereas basal surfaces have a permanent negative charge arising from isomorphic substitutions. Hence, the relationship between surface charge and surface potential on edge surfaces cannot be described using the Gouy-Chapman relation, because of a spillover of negative electrostatic potential from the basal surface onto the edge surface. While surface complexation models can be modified to account for these features, a predictive fit of experimental data was not possible until recently, because of uncertainty regarding the densities and intrinsic pK a values of edge functional groups. Here, we reexamine this problem in light of new knowledge on intrinsic pK a values obtained over the past decade using ab initio molecular dynamics simulations, and we propose a new formalism to describe edge functional groups. Our simulation results yield reasonable predictions of the best available experimental acid-base titration data.

  11. Properties of surface waves in granular media under gravity

    International Nuclear Information System (INIS)

    Zheng He-Peng

    2014-01-01

    Acoustical waves propagating along the free surface of granular media under gravity are investigated in the framework of elasticity theory. The influence of stress on a surface wave is analyzed. The results have shown that two types of surface waves, namely sagittal and transverse modes exist depending on initial stress states, which may have some influence on the dispersion relations of surface waves, but the influence is not great. Considering that the present experimental accuracy is far from distinguishing this detail, the validity of elasticity theory on the surface waves propagating in granular media can still be maintained. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  12. Photoactive energetic materials

    Science.gov (United States)

    Chavez, David E.; Hanson, Susan Kloek; Scharff, Robert Jason; Veauthier, Jacqueline Marie; Myers, Thomas Winfield

    2018-02-27

    Energetic materials that are photoactive or believed to be photoactive may include a conventional explosive (e.g. PETN, nitroglycerine) derivatized with an energetic UV-absorbing and/or VIS-absorbing chromophore such as 1,2,4,5-tetrazine or 1,3,5-triazine. Absorption of laser light having a suitably chosen wavelength may result in photodissociation, decomposition, and explosive release of energy. These materials may be used as ligands to form complexes. Coordination compounds include such complexes with counterions. Some having the formula M(L).sub.n.sup.2+ were synthesized, wherein M is a transition metal and L is a ligand and n is 2 or 3. These may be photoactive upon exposure to a laser light beam having an appropriate wavelength of UV light, near-IR and/or visible light. Photoactive materials also include coordination compounds bearing non-energetic ligands; in this case, the counterion may be an oxidant such as perchlorate.

  13. Friction Surface Treatment Selection: Aggregate Properties, Surface Characteristics, Alternative Treatments, and Safety Effects

    Science.gov (United States)

    2017-07-01

    This study aimed to evaluate the long term performance of the selected surface friction treatments, including high friction surface treatment (HFST) using calcined bauxite and steel slag, and conventional friction surfacing, in particular pavement pr...

  14. Surface modification, microstructure and mechanical properties of investment cast superalloy

    OpenAIRE

    M. Zielińska; K. Kubiak; J. Sieniawski

    2009-01-01

    Purpose: The aim of this work is to determine physical and chemical properties of cobalt aluminate (CoAl2O4) modifiers produced by different companies and the influence of different types of modifiers on the grain size, the microstructure and mechanical properties of high temperature creep resisting superalloy René 77.Design/methodology/approach: The first stage of the research work took over the investigations of physical and chemical properties of cobalt aluminate manufactured by three diff...

  15. Ultra-fast boriding of metal surfaces for improved properties

    Science.gov (United States)

    Timur, Servet; Kartal, Guldem; Eryilmaz, Osman L.; Erdemir, Ali

    2015-02-10

    A method of ultra-fast boriding of a metal surface. The method includes the step of providing a metal component, providing a molten electrolyte having boron components therein, providing an electrochemical boriding system including an induction furnace, operating the induction furnace to establish a high temperature for the molten electrolyte, and boriding the metal surface to achieve a boride layer on the metal surface.

  16. Electrochemical Properties of High Surface Area Vanadium Oxide Aerogels

    National Research Council Canada - National Science Library

    Dong, Winny

    2001-01-01

    .... Traditional composite electrode structures have prevented truly quantitative analysis of surface area effects in nanoscale battery materials, as well as a study of their innate electrochemical behavior...

  17. Energetical fly ashes – separation and utilization of metallic valuable components

    Directory of Open Access Journals (Sweden)

    Michalíková Františka

    2000-12-01

    Full Text Available In the contribution, methods of separating metals – Fe, Al, Ge from energetic wastes – fly ashes are presented along with further possibilities of utilization of particular valuable components for industrial purposes.In the contribution, properties of energetic wastes are presented influencing the contents, separability, and utilizability of metal-bearing valuable components. From among physical properties these are grain size distribution and surface area. Chemical properties are characterized by elements contained in combusted coal whose content after combustion is increased 2 to 4 times, depending on the content of ash and combustible matters in original coal. Mineralogical properties of energetic wastes are determined by the combustion process conditions in the course of which mineral novelties are produced in concentrations suitable for separation.In the contribution, methods of separation and utilization of metals such as Fe, Al, Ge are described. From literature information on the processing of Fe component, as well as from results of experiments made at the Department of Mineral Processing and Environmental Protection, Technical University of Kosice follows that the highest concentration and mass yield of the component can be obtained from black coal fly ashes produced in smelting boilers. The content of Al in Slovak energetic wastes is lower than the 30 % Al2O3 limit that conditions an economic technological processing. Only in the case of black coal fly ash from TEKO Kosice and EVO Vojany was the Al2O3 content of 32.93 %. Therefore, in an indirect way – by separating the residues of uncombusted coal and magnetite Fe – the content of Al in fly ash was increased.For Ge, a principle of selective sizing has been utilized.A complex utilization of energetic wastes, that is the separation of metallic components, elimination of particular metals and the subsequent treatment of nonmetallic residue, should be an effective solution in various

  18. Surface properties of adsorption layers formed from triterpenoid and steroid saponins

    NARCIS (Netherlands)

    Pagureva, N.; Tcholakova, S.; Golemanov, K.; Denkov, N.; Pelan, E.; Stoyanov, S.D.

    2016-01-01

    Saponins are natural surfactants with non-trivial surface and aggregation properties which find numerous important applications in several areas (food, pharma, cosmetic and others). In the current paper we study the surface properties of ten saponin extracts, having different molecular structure

  19. [Surface Property and Sorption Characteristics of Phosphorus onto Surface Sediments in Sanggou Bay].

    Science.gov (United States)

    Zhu, Jia-mei; Cao, Xiao-yan; Liu, Su-mei; Wang, Li-sha; Yang, Gui-peng; Ge, Cheng-feng; Lu, Min

    2016-02-15

    Kinetic curves and isotherms were investigated to study the sorption mechanism of phosphorus onto the sediments of Sanggou Bay, together with the surface charge properties of sediments and the forms of phosphorus studied. The results showed that the sorption including a fast process and a slow one, and could be described by a two-compartment first order equation. The thermodynamic isotherms were well fitted with a modified Langmuir equation. The maximum adsorption capacity was larger in summer than in spring, and the smaller particle size was favorable to the sorption. The maximum adsorption capacities (Qm) were 0.0471-0.1230 mg x g(-1), and the zero equilibrium phosphorus concentration (EPC0) of the sediments ranged from 0.0596 mg x L(-1) to 0.1927 mg x L(-1), which indicated that the sediments from Sanggou Bay were sources of phosphorus. Inorganic phosphorus (IP) was the main form of total phosphorus (TP). The contents of exchangeable or loosely absorbed P and Fe-bound P increased significantly in the samples after sorption. The sorption process involved physical sorption and chemical sorption, with the former being the predominant.

  20. Superior Properties of Energetically Stable La2/3Sr1/3MnO3/Tetragonal BiFeO3 Multiferroic Superlattices

    KAUST Repository

    Feng, Nan; Mi, Wenbo; Wang, Xiaocha; Cheng, Yingchun; Schwingenschlö gl, Udo

    2015-01-01

    The superlattice of energetically stable La2/3Sr1/3MnO3 and tetragonal BiFeO3 is investigated by means of density functional theory. The superlattice as a whole exhibits a half-metallic character, as is desired for spintronic devices. The interfacial electronic states and exchange coupling are analyzed in details. We demonstrate that the interfacial O atoms play a key role in controlling the coupling. The higher ferroelectricity of tetragonal BiFeO3 and stronger response to the magnetic moment in La2/3Sr1/3MnO3/BiFeO3 superlattice show a strongly enhanced electric control of the magnetism as compared to the rhombohedral one. Therefore, it is particularly practical interest in the magnetoelectric controlled spintronic devices.

  1. Superior Properties of Energetically Stable La2/3Sr1/3MnO3/Tetragonal BiFeO3 Multiferroic Superlattices

    KAUST Repository

    Feng, Nan

    2015-04-30

    The superlattice of energetically stable La2/3Sr1/3MnO3 and tetragonal BiFeO3 is investigated by means of density functional theory. The superlattice as a whole exhibits a half-metallic character, as is desired for spintronic devices. The interfacial electronic states and exchange coupling are analyzed in details. We demonstrate that the interfacial O atoms play a key role in controlling the coupling. The higher ferroelectricity of tetragonal BiFeO3 and stronger response to the magnetic moment in La2/3Sr1/3MnO3/BiFeO3 superlattice show a strongly enhanced electric control of the magnetism as compared to the rhombohedral one. Therefore, it is particularly practical interest in the magnetoelectric controlled spintronic devices.

  2. Automated Surface Classification of SRF Cavities for the Investigation of the Influence of Surface Properties onto the Operational Performance

    International Nuclear Information System (INIS)

    Wenskat, Marc

    2015-07-01

    Superconducting niobium radio-frequency cavities are fundamental for the European XFEL and the International Linear Collider. To use the operational advantages of superconducting cavities, the inner surface has to fulfill quite demanding requirements. The surface roughness and cleanliness improved over the last decades and with them, the achieved maximal accelerating field. Still, limitations of the maximal achieved accelerating field are observed, which are not explained by localized geometrical defects or impurities. The scope of this thesis is a better understanding of these limitations in defect free cavities based on global, rather than local, surface properties. For this goal, more than 30 cavities underwent subsequent surface treatments, cold RF tests and optical inspections within the ILC-HiGrade research program and the XFEL cavity production. An algorithm was developed which allows an automated surface characterization based on an optical inspection robot. This algorithm delivers a set of optical surface properties, which describes the inner cavity surface. These optical surface properties deliver a framework for a quality assurance of the fabrication procedures. Furthermore, they shows promising results for a better understanding of the observed limitations in defect free cavities.

  3. Automated Surface Classification of SRF Cavities for the Investigation of the Influence of Surface Properties onto the Operational Performance

    Energy Technology Data Exchange (ETDEWEB)

    Wenskat, Marc

    2015-07-15

    Superconducting niobium radio-frequency cavities are fundamental for the European XFEL and the International Linear Collider. To use the operational advantages of superconducting cavities, the inner surface has to fulfill quite demanding requirements. The surface roughness and cleanliness improved over the last decades and with them, the achieved maximal accelerating field. Still, limitations of the maximal achieved accelerating field are observed, which are not explained by localized geometrical defects or impurities. The scope of this thesis is a better understanding of these limitations in defect free cavities based on global, rather than local, surface properties. For this goal, more than 30 cavities underwent subsequent surface treatments, cold RF tests and optical inspections within the ILC-HiGrade research program and the XFEL cavity production. An algorithm was developed which allows an automated surface characterization based on an optical inspection robot. This algorithm delivers a set of optical surface properties, which describes the inner cavity surface. These optical surface properties deliver a framework for a quality assurance of the fabrication procedures. Furthermore, they shows promising results for a better understanding of the observed limitations in defect free cavities.

  4. Dynamic surface properties of poly(methylalkyldiallylammonium chloride) solutions

    Czech Academy of Sciences Publication Activity Database

    Novikova, A. A.; Vlasov, P. S.; Lin, S.-Y.; Sedláková, Zdeňka; Noskov, B. A.

    2017-01-01

    Roč. 80, November (2017), s. 122-127 ISSN 1876-1070 Institutional support: RVO:61389013 Keywords : polymer solutions * dynamic surface tension * dilational surface rheology Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 4.217, year: 2016

  5. Synthesis, surface characterization and optical properties of 3

    Indian Academy of Sciences (India)

    3-Thiopropionic acid (TPA) capped ZnS:Cu nanocrystals have been successfully synthesized by simple aqueous method. Powder X-ray diffraction (XRD) studies revealed the particle size to be 4.2 nm. Surface characterization of the nanocrystals by FTIR spectroscopy has been done and the structure for surface bound TPA ...

  6. Basic Surface Properties of Mononuclear Cells from Didelphis marsupialis

    Directory of Open Access Journals (Sweden)

    Nacife Valéria Pereira

    1998-01-01

    Full Text Available The electrostatic surface charge and surface tension of mononuclear cells/monocytes obtained from young and adult marsupials (Didelphis marsupialis were investigated by using cationized ferritin and colloidal iron hydroxyde, whole cell electrophoresis, and measurements of contact angles. Anionic sites were found distributed throughout the entire investigated cell surfaces. The results revealed that the anionic character of the cells is given by electrostatic charges corresponding to -18.8 mV (cells from young animals and -29.3 mV (cells from adult animals. The surface electrostatic charge decreased from 10 to 65.2% after treatment of the cells with each one of trypsin, neuraminidase and phospholipase C. The hydrophobic nature of the mononuclear cell surfaces studied by using the contact angle method revealed that both young and adult cells possess cell surfaces of high hidrofilicity since the angles formed with drops of saline water were 42.5°and 40.8°, respectively. Treatment of the cells with trypsin or neuraminidase rendered their surfaces more hydrophobic, suggesting that sialic acid-containing glycoproteins are responsible for most of the hydrophilicity observed in the mononuclear cell surfaces from D. marsupialis.

  7. Effects of surface atomistic modification on mechanical properties of gold nanowires

    International Nuclear Information System (INIS)

    Sun, Xiao-Yu; Xu, Yuanjie; Wang, Gang-Feng; Gu, Yuantong; Feng, Xi-Qiao

    2015-01-01

    Highlights: • Molecular dynamics simulations of surface modification effect of Au nanowires. • Surface modification can greatly affect the mechanical properties of nanowires. • Core–shell model is used to elucidate the effect of residual surface stress. - Abstract: Modulation of the physical and mechanical properties of nanowires is a challenging issue for their technological applications. In this paper, we investigate the effects of surface modification on the mechanical properties of gold nanowires by performing molecular dynamics simulations. It is found that by modifying a small density of silver atoms to the surface of a gold nanowire, the residual surface stress state can be altered, rendering a great improvement of its plastic yield strength. This finding is in good agreement with experimental measurements. The underlying physical mechanisms are analyzed by a core–shell nanowire model. The results are helpful for the design and optimization of advanced nanomaterial with superior mechanical properties

  8. Structural And Energetic Changes of Si (100 Surface With Fluorine in Presence of Water – A Density Functional Study

    Directory of Open Access Journals (Sweden)

    Takeo Ebina

    2001-05-01

    Full Text Available Abstract: We report density functional electronic structure calculations to monitor the change in the surface characteristics of the Si (100-2x1 surface after fluorination followed by interaction with water. Embedded finite silicon clusters are used to model an extended Si (100-2x1 surface. Two high symmetry pathways and subsequent adsorption sites were examined: (i adsorption of an fluorine atom directing onto a silicon dangling bond to form a monocoordinated fluorine atom (ii adsorption of a fluorine atom directing on top of silicon dimer to form a bridging dicoordinated fluorine atom. However, in the later case we find that no barrier exists for the bridging fluorine atom to slide towards silicon dimer dangling bond to form more stable mono coordinated Si-F bond. We calculated activation barriers and equilibrium surface configuration as a function of fluorine coverage upto 2.0 ML. We compared the stability of the fluorinated surface. The results were compared with existing experimental and theoretical results. The reaction of water with HF treated Si surface is monitored. It produces, as a first step, the exchange of Si-F with water to form Si-OH groups reducing the concentration of the fluorine on the surface, followed by a rapture of Si-Si bonds and finally the Si-O-Si bridge formation in the lattice.

  9. Forecast of nuclear energetics

    Energy Technology Data Exchange (ETDEWEB)

    Sikora, W

    1976-01-01

    The forecast concerning the development of nuclear energetics is presented. Some information on economics of nuclear power plants is given. The nuclear fuel reserves are estimated on the background of power resources of the world. The safety and environment protection problems are mentioned.

  10. First principle study of structural, electronic and fermi surface properties of aluminum praseodymium

    Science.gov (United States)

    Shugani, Mani; Aynyas, Mahendra; Sanyal, S. P.

    2018-05-01

    We present a structural, Electronic and Fermi surface properties of Aluminum Praseodymium (AlPr) using First-principles density functional calculation by using full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA). The ground state properties along with electronic and Fermi surface properties are studied. It is found that AlPr is metallic and the bonding between Al and Pr is covalent.

  11. Manipulation of fluids in three-dimensional porous photonic structures with patterned surface properties

    Energy Technology Data Exchange (ETDEWEB)

    Aizenberg, Joanna; Burgess, Ian; Mishchenko, Lidiya; Hatton, Benjamin; Loncar, Marko

    2017-12-26

    A three-dimensional porous photonic structure, whose internal pore surfaces can be provided with desired surface properties in a spatially selective manner with arbitrary patterns, and methods for making the same are described. When exposed to a fluid (e.g., via immersion or wicking), the fluid can selectively penetrate the regions of the structure with compatible surface properties. Broad applications, for example in security, encryption and document authentication, as well as in areas such as simple microfluidics and diagnostics, are anticipated.

  12. An instrument for the measurement of road surface reflection properties

    DEFF Research Database (Denmark)

    Corell, Dennis Dan; Sørensen, K.

    2017-01-01

    surfaces in use have changed - for instance to road surface types with less noise from wheel passages. Because of this, a co-operation between the road administrations of the Nordic countries (abbreviated NMF) decided to construct a portable instrument to be used on selections of traffic roads within......Road surface reflection data in the form of standard r-tables serve as input for design calculations of road lighting installations on traffic roads. However, in several countries the use of the standard r-tables has not been verified by measurement in a long period of time, while the types of road...

  13. Mechanisms and energetics of surface reactions at the copper-water interface. A critical literature review with implications for the debate on corrosion of copper in anoxic water

    Energy Technology Data Exchange (ETDEWEB)

    Johansson, Adam Johannes; Brinck, Tore [Applied Physical Chemistry, KTH Royal Inst. of Technology, Stockholm (Sweden)

    2012-06-15

    In order to make a critical analysis of the discussion of corrosion of copper in pure anoxic water it is necessary to understand the chemical reactivity at the copper-water interface. Even though the most fundamental issue, i.e. the nature and existence of a hypothetical product that is thermodynamically stable, is still under debate, it is clear that if anoxic corrosion really exists, it must be initiated through oxidative surface reactions at the copper-water interface. This report presents a survey of the peer reviewed literature on the reactivity of copper surfaces in water. Reactions discussed involve molecular adsorption of water, dissociation of the OH-bonds in adsorbed water molecules and hydroxyl groups, the disproportionation/synproportionation equilibrium between hydroxyl groups/hydroxide ions, water molecules and atomic oxygen, the surface diffusion of adsorbed species, and the formation of hydrogen gas (molecular hydrogen). Experimental, as well as theoretical (quantum chemical) studies are reviewed. It is concluded that a limited amount of hydrogen gas (H{sub 2}) should be formed as the result of dissociative water adsorption at certain copper surfaces. Quantitative estimates of the amounts of H2 that could form at the copper-water interface are made. Assuming that the water-cleavage/hydrogen-formation reaction proceeds on an ideal [110] or [100] surface until a hydroxyl monolayer (ML) is reached, the amount of H{sub 2} formed is {approx} 2.4 ng cm{sup -2} copper surface. Based on the literature cited, this is most likely possible, thermodynamically as well as kinetically. Although not proven, it is not unlikely that the reaction can proceed until an oxide ML is formed, which would give 4.8 ng cm{sup -2}. If the formation of an oxide ML is thermodynamically feasible the surface will probably react further, since Cu{sub 2}O(s) is known to activate and cleave the water molecule when it adsorbs at the Cu{sub 2}O(s) surface. Assuming the formation of a

  14. Titanium. Properties, raw datum surface, physicochemical basis and fabrication technique

    International Nuclear Information System (INIS)

    Garmata, V.A.; Petrun'ko, A.N.; Galitskij, N.V.; Olesov, Yu.G.; Sandler, R.A.

    1983-01-01

    On the nowadays science and technology achievements the complex of titanium metallurgy problems comprising raw material base, physico-chemical basis and fabrication technique, properties and titanium usage fields is considered for the first time. A particular attention is given to raw material base, manufacturing titanium concentrates and titanium tetrachloride, metallothermal reduction, improvement of metal quality. Data on titanium properties are given, processes of titanium powder metallurgy, scrap and waste processing, problems of economics and complex raw material use are considered

  15. Surface adhesion properties of graphene and graphene oxide studied by colloid-probe atomic force microscopy

    International Nuclear Information System (INIS)

    Ding Yanhuai; Zhang Ping; Ren Huming; Zhuo Qin; Yang Zhongmei; Jiang Xu; Jiang Yong

    2011-01-01

    Surface adhesion properties are important to various applications of graphene-based materials. Atomic force microscopy is powerful to study the adhesion properties of samples by measuring the forces on the colloidal sphere tip as it approaches and retracts from the surface. In this paper we have measured the adhesion force between the colloid probe and the surface of graphene (graphene oxide) nanosheet. The results revealed that the adhesion force on graphene and graphene oxide surface were 66.3 and 170.6 nN, respectively. It was found the adhesion force was mainly determined by the water meniscus, which was related to the surface contact angle of samples.

  16. An expert system to characterize the surface morphological properties according to their functionalities

    International Nuclear Information System (INIS)

    Bigerelle, M; Mathia, T; Iost, A; Correvits, T; Anselme, K

    2011-01-01

    In this paper we propose a new methodology to characterize the morphological properties of a surface in relation with its functionality (tribological properties, surface coating adhesion, brightness, wettability...). We create a software based on experimental design and surface profile recording. Using an appropriate database structure, the roughness parameters are automatically computed at different scales. The surface files are saved in a hard disk directory and roughness parameters are computed at different scales. Finally, a statistical analysis system proposes the roughness parameter (or the pair of roughness parameters) that better describe(s) the functionality of the surface and the spatial scales at which the parameter(s) is (are) the more relevant.

  17. An expert system to characterize the surface morphological properties according to their functionalities

    Energy Technology Data Exchange (ETDEWEB)

    Bigerelle, M [Laboratoire Roberval, UMR 6253, UTC/CNRS, UTC Centre de Recherches de Royallieu BP 20529, 60205 Compiegne France stol BS1 6BE (United Kingdom); Mathia, T [Laboratoire de Tribologie et Dynamique des Systemes, UMR 5513, Ecole Centrale de Lyon, 36 Av Guy de Collongue, 69134 Ecully Cedex (France); Iost, A [Laboratoire de Mecanique de Lille, UMR CNRS 8107, Arts et Metiers ParisTech - Lille, 8, boulevard Louis XIV 59046 Lille (France); Correvits, T [Laboratoire de Metrologie. Arts et Metiers ParisTech, ENSAM, 8 boulevard Louis XIV, 59046 LILLE Cedex (France); Anselme, K, E-mail: maxence.bigerelle@utc.fr [Institut De Sciences Des Materiaux De Mulhouse, CNRS LRC 7228, 15, rue Jean Starcky, Universite De Haute-Alsace, BP 2488, 68057 Mulhouse (France)

    2011-08-19

    In this paper we propose a new methodology to characterize the morphological properties of a surface in relation with its functionality (tribological properties, surface coating adhesion, brightness, wettability...). We create a software based on experimental design and surface profile recording. Using an appropriate database structure, the roughness parameters are automatically computed at different scales. The surface files are saved in a hard disk directory and roughness parameters are computed at different scales. Finally, a statistical analysis system proposes the roughness parameter (or the pair of roughness parameters) that better describe(s) the functionality of the surface and the spatial scales at which the parameter(s) is (are) the more relevant.

  18. Investigation of some properties of Nylon-6 surface treated by corona discharge in helium

    International Nuclear Information System (INIS)

    Dumitrascu, N.; Surdu, S.; Popa, Gh.; Raileanu, D.

    1996-01-01

    In this work an easy and less expensive method of treatment has been used by corona discharge. This allows to modify the surface properties and especially to improve the compatibility of polymers with biological tissue. The Nylon-6 as a test material was chosen. A scanning electron microscope to visualize the morphology of the morphology of the surface and an IR spectrophotometer able to identify the amide groups and other as well, have been used. Morphology of the treated surface by corona discharge emphasis an etching an etching and/or a crosslinking of amorphous domains, generally important to improve the properties as wetting, dyeing, adhesion, etc. Over all treated surface there is significant blood compatible properties without the need of heparinization of surface. The treated surface influences the biological behaviour of micro-organisms, respectively, that surface is a favourable medium for division of cells and may increase their lifetime. (authors)

  19. Modulation of dry tribological property of stainless steel by femtosecond laser surface texturing

    Science.gov (United States)

    Wang, Zhuo; Zhao, Quanzhong; Wang, Chengwei; Zhang, Yang

    2015-06-01

    We reported on the modification of tribological properties of stainless steel by femtosecond laser surface microstructuring. Regular arranged micro-grooved textures with different spacing were produced on the AISI 304L steel surfaces by an 800-nm femtosecond laser. The tribological properties of smooth surface and textured surface were investigated by carrying out reciprocating ball-on-flat tests against Al2O3 ceramic balls under dry friction. Results show that the spacing of micro-grooves had a significant impact on friction coefficient of textured surfaces. Furthermore, the wear behaviors of smooth and textured surface were also investigated. Femtosecond laser surface texturing had a marked potential for modulating friction and wear properties if the micro-grooves were distributed in an appropriate manner.

  20. Symmetric scaling properties in global surface air temperature anomalies

    Science.gov (United States)

    Varotsos, Costas A.; Efstathiou, Maria N.

    2015-08-01

    We have recently suggested "long-term memory" or internal long-range correlation within the time-series of land-surface air temperature (LSAT) anomalies in both hemispheres. For example, an increasing trend in the LSAT anomalies is followed by another one at a different time in a power-law fashion. However, our previous research was mainly focused on the overall long-term persistence, while in the present study, the upward and downward scaling dynamics of the LSAT anomalies are analysed, separately. Our results show that no significant fluctuation differences were found between the increments and decrements in LSAT anomalies, over the whole Earth and over each hemisphere, individually. On the contrary, the combination of land-surface air and sea-surface water temperature anomalies seemed to cause a departure from symmetry and the increments in the land and sea surface temperature anomalies appear to be more persistent than the decrements.

  1. Tailoring surface properties of ArF resists thin films with functionally graded materials (FGM)

    Science.gov (United States)

    Takemoto, Ichiki; Ando, Nobuo; Edamatsu, Kunishige; Fuji, Yusuke; Kuwana, Koji; Hashimoto, Kazuhiko; Funase, Junji; Yokoyama, Hiroyuki

    2007-03-01

    Our recent research effort has been focused on new top coating-free 193nm immersion resists with regard to leaching of the resist components and lithographic performance. We have examined methacrylate-based resins that control the surface properties of ArF resists thin films by surface segregation behavior. For a better understanding of the surface properties of thin films, we prepared the six resins (Resin 1-6) that have three types fluorine containing monomers, a new monomer (Monomer A), Monomer B and Monomer C, respectively. We blended the base polymer (Resin 0) with Resin (1-6), respectively. We evaluated contact angles, surface properties and lithographic performances of the polymer blend resists. The static and receding contact angles of the resist that contains Resin (1-6) are greater than that of the base polymer (Resin 0) resist. The chemical composition of the surface of blend polymers was investigated with X-ray photoelectron spectroscopy (XPS). It was shown that there was significant segregation of the fluorine containing resins to the surface of the blend films. We analyzed Quantitative Structure-Property Relationships (QSPR) between the surface properties and the chemical composition of the surface of polymer blend resists. The addition of 10 wt% of the polymer (Resin 1-6) to the base polymer (Resin 0) did not influence the lithographic performance. Consequently, the surface properties of resist thin films can be tailored by the appropriate choice of fluorine containing polymer blends.

  2. Structure and properties of GMA surfaced armour plates

    OpenAIRE

    A. Klimpel; K. Luksa; M. Burda

    2010-01-01

    Purpose: In the combat vehicles many materials can be used for the armour. Application of the monolithic armour plates in light combat vehicles is limited by the high armour weigh. Introduction of the layered armour plates is a way to limit the vehicle weight. In the paper test results of graded and nanostructural GMA surfaced armour plates are presented.Design/methodology/approach: Metallographic structure, chemical composition and hardness of surfaced layers were investigated in order to ex...

  3. Thermal repellent properties of surface coating using silica

    Science.gov (United States)

    Lee, Y. Y.; Halim, M. S.; Aminudin, E.; Guntor, N. A.

    2017-11-01

    Extensive land development in urban areas is completely altering the surface profile of human living environment. As cities growing rapidly, impervious building and paved surfaces are replacing the natural landscape. In the developing countries with tropical climate, large masses of building elements, such as brick wall and concrete members, absorb and store large amount of heat, which in turn radiate back to the surrounding air during the night time. This bubble of heat is known as urban heat island (UHI). The use of high albedo urban surfaces is an inexpensive measure that can reduce surrounded temperature. Thus, the main focus of this study is to investigate the ability of silica, SiO2, with high albedo value, to be used as a thermal-repelled surface coating for brick wall. Three different silica coatings were used, namely silicone resin, silicone wax and rain repellent and one exterior commercial paint (jota shield paint) that commercially available in the market were applied on small-scale brick wall models. An uncoated sample also had been fabricated as a control sample for comparison. These models were placed at the outdoor space for solar exposure. Outdoor environment measurement was carried out where the ambient temperature, surface temperature, relative humidity and UV reflectance were recorded. The effect of different type of surface coating on temperature variation of the surface brick wall and the thermal performance of coatings as potential of heat reduction for brick wall have been studied. Based on the results, model with silicone resin achieved the lowest surface temperature which indicated that SiO2 can be potentially used to reduce heat absorption on the brick wall and further retains indoor passive thermal comfortability.

  4. Energetic Techniques For Planetary Defense

    Science.gov (United States)

    Barbee, B.; Bambacus, M.; Bruck Syal, M.; Greenaugh, K. C.; Leung, R. Y.; Plesko, C. S.

    2017-12-01

    Near-Earth Objects (NEOs) are asteroids and comets whose heliocentric orbits tend to approach or cross Earth's heliocentric orbit. NEOs of various sizes periodically collide with Earth, and efforts are currently underway to discover, track, and characterize NEOs so that those on Earth-impacting trajectories are discovered far enough in advance that we would have opportunities to deflect or destroy them prior to Earth impact, if warranted. We will describe current efforts by the National Aeronautics and Space Administration (NASA) and the National Nuclear Security Administration (NNSA) to assess options for energetic methods of deflecting or destroying hazardous NEOs. These methods include kinetic impactors, which are spacecraft designed to collide with an NEO and thereby alter the NEO's trajectory, and nuclear engineering devices, which are used to rapidly vaporize a layer of NEO surface material. Depending on the amount of energy imparted, this can result in either deflection of the NEO via alteration of its trajectory, or robust disruption of the NEO and dispersal of the remaining fragments. We have studied the efficacies and limitations of these techniques in simulations, and have combined the techniques with corresponding spacecraft designs and mission designs. From those results we have generalized planetary defense mission design strategies and drawn conclusions that are applicable to a range of plausible scenarios. We will present and summarize our research efforts to date, and describe approaches to carrying out planetary defense missions with energetic NEO deflection or disruption techniques.

  5. Nb and Ta layer doping effects on the interfacial energetics and electronic properties of LaAlO3/SrTiO3 heterostructure: first-principles analysis.

    Science.gov (United States)

    Nazir, Safdar; Behtash, Maziar; Cheng, Jianli; Luo, Jian; Yang, Kesong

    2016-01-28

    The two-dimensional electron gas (2DEG) formed at the n-type (LaO)(+1)/(TiO2)(0) interface in the polar/nonpolar LaAlO3/SrTiO3 (LAO/STO) heterostructure (HS) has emerged as a prominent research area because of its great potential for nanoelectronic applications. Due to its practical implementation in devices, desired physical properties such as high charge carrier density and mobility are vital. In this respect, 4d and 5d transition metal doping near the interfacial region is expected to tailor electronic properties of the LAO/STO HS system effectively. Herein, we studied Nb and Ta-doping effects on the energetics, electronic structure, interfacial charge carrier density, magnetic moment, and the charge confinements of the 2DEG at the n-type (LaO)(+1)/(TiO2)(0) interface of LAO/STO HS using first-principles density functional theory calculations. We found that the substitutional doping of Nb(Ta) at Ti [Nb(Ta)@Ti] and Al [Nb(Ta)@Al] sites is energetically more favorable than that at La [Nb(Ta)@La] and Sr [Nb(Ta)@Sr] sites, and under appropriate thermodynamic conditions, the changes in the interfacial energy of HS systems upon Nb(Ta)@Ti and Nb(Ta)@Al doping are negative, implying that the formation of these structures is energetically favored. Our calculations also showed that Nb(Ta)@Ti and Nb(Ta)@Al doping significantly improve the interfacial charge carrier density with respect to that of the undoped system, which is because the Nb(Ta) dopant introduces excess free electrons into the system, and these free electrons reside mainly on the Nb(Ta) ions and interfacial Ti ions. Hence, along with the Ti 3d orbitals, the Nb 4d and Ta 5d orbitals also contribute to the interfacial metallic states; accordingly, the magnetic moments on the interfacial Ti ions increase significantly. As expected, the Nb@Al and Ta@Al doped LAO/STO HS systems show higher interfacial charge carrier density than the undoped and other doped systems. In contrast, Nb@Ti and Ta@Ti doped systems may

  6. Supramolecular structures on silica surfaces and their adsorptive properties.

    Science.gov (United States)

    Belyakov, Vladimir N; Belyakova, Lyudmila A; Varvarin, Anatoly M; Khora, Olexandra V; Vasilyuk, Sergei L; Kazdobin, Konstantin A; Maltseva, Tetyana V; Kotvitskyy, Alexey G; Danil de Namor, Angela F

    2005-05-01

    The study of adsorptive and chemical immobilization of beta-cyclodextrin on a surface of hydroxylated silicas with various porous structure is described. Using IR spectroscopy, thermal gravimetrical analysis with a programmed heating, and chemical analysis of the silica surface, it is shown that the process of adsorption-desorption of beta-cyclodextrin depends on the porous structure of the silica. The reaction of esterification was used for chemical grafting of beta-cyclodextrin on the surface of hydroxylated silicas. Hydrolytic stability of silicas chemically modified by beta-cyclodextrin apparently is explained by simultaneous formation of chemical and hydrogen bonds between surface silanol groups and hydroxyl groups of beta-cyclodextrin. The uptake of the cations Cu(II), Cd(II), and Pb(II) and the anions Cr(VI) and As(V) by silicas modified with beta-cyclodextrin is investigated as a function of equilibrium ion concentrations. The increase of ion uptake and selectivity of ion extraction in comparison with starting silicas is established. It is due to the formation of surface inclusion complexes of the "host-guest" type in which one molecule of beta-cyclodextrin interacts simultaneously with several ions.

  7. Conditioning of Si-interfaces by wet-chemical oxidation: Electronic interface properties study by surface photovoltage measurements

    Energy Technology Data Exchange (ETDEWEB)

    Angermann, Heike, E-mail: angermann@helmholtz-berlin.de

    2014-09-01

    Highlights: • Determination of electronic interface properties by contact-less surface photovoltage (SPV) technique. • Systematic correlations of substrate morphology and surface electronic properties. • Optimization of surface pre-treatment for flat, saw damage etched, and textured Si solar cell substrates. • Ultra-thin passivating Si oxide layers with low densities of rechargeable states by wet-chemical oxidation and subsequent annealing. • Environmentally acceptable processes, utilizing hot water, diluted HCl, or ozone low cost alternative to current approaches with concentrated chemicals. • The effect of optimized wet-chemical pre-treatments can be preserved during subsequent layer deposition. - Abstract: The field-modulated surface photovoltage (SPV) method, a very surface sensitive technique, was utilized to determine electronic interface properties on wet-chemically oxidized and etched silicon (Si) interfaces. The influence of preparation-induced surface micro-roughness and un-stoichiometric oxides on the resulting the surface charge, energetic distribution D{sub it}(E), and density D{sub it,min} of rechargeable states was studied by simultaneous, spectroscopic ellipsometry (SE) measurements on polished Si(111) and Si(100) substrates. Based on previous findings and new research, a study of conventional and newly developed wet-chemical oxidation methods was established, correlating the interactions between involved oxidizing and etching solutions and the initial substrate morphology to the final surface conditioning. It is shown, which sequences of wet-chemical oxidation and oxide removal, have to be combined in order to achieve atomically smooth, hydrogen terminated surfaces, as well as ultra-thin oxide layers with low densities of rechargeable states on flat, saw damage etched, and textured Si substrates, as commonly applied in silicon device and solar cell manufacturing. These conventional strategies for wet-chemical pre-treatment are mainly

  8. Aerial energetic residue data from JBER C4 testing

    Data.gov (United States)

    U.S. Environmental Protection Agency — Aerially-collected energetic residues from surface detonation of C4. This dataset is associated with the following publication: Walsh, M., B. Gullett, M. Walsh, M....

  9. Surface electronic properties of discontinuous Pd films during hydrogen exposure

    International Nuclear Information System (INIS)

    Zhao, Ming; Nagata, Shinji; Shikama, Tatsuo; Inouye, Aichi; Yamamoto, Shunya; Yoshikawa, Masahito

    2011-01-01

    This paper explored the change in the surface resistance of the discontinuous palladium (Pd) films during hydrogen exposure. In our experiments, we observed a remarkable rise in the electrical resistance of the discontinuous film which consists of nano-sized particles, when it was exposed to thin hydrogen. By studying the resistance change ratio before and after hydrogen exposure, we have found that it demonstrates an inverse exponential relationship with the ratio of on-film particle radius to the inter island separation. This suggests that the change in the film resistance under hydrogen exposure is primarily associated with the variation of surface work function which is caused by the hydrogen absorption on the Pd surface. (author)

  10. Influence of submonolayer films on the metal surface properties

    International Nuclear Information System (INIS)

    Bigun, G.I.

    1979-01-01

    Carried out is the calculation of concentration dependence of the work function, surface energy and binding energy of adsorption systems in the framework of ''jelly'' model. Electron density is approximated with parametric exponential family. Unknown parameters are found from the neutrality and continuity conditions using obtained relation of electrostatic potential values in the depth of the substrate and on the surface. Each of the systems Li-W(110), Na-W(110), K-W(111) and Cs-W(112) is compared with a certain value of the thickness of positive charge substituting adsorbate ion film. Quantitative agreement of the theory and experiment takes place

  11. Local adhesive surface properties studied by force microscopy

    International Nuclear Information System (INIS)

    Lekka, M.; Lekki, J.; Marszalek, M.; Stachura, Z.; Cleff, B.

    1998-01-01

    Scanning force microscopy was used in the contact mode to determine the adhesion force between a mica surface and a silicon nitride tip. The measurements were performed in an aqueous solution of sodium and calcium chlorides. The adhesion force according to the Derjaguin-Landau-Verwey-Overbeek theory depends on the competition between two kinds of forces: van der Waals and electrostatic 'double layer'. Two different curves of adhesion force versus salt concentration were obtained from the experiment with monovalent and divalent ions. The tip-surface adhesion force was determined from a statistical analysis of data obtained from the force vs. distance retracting curves. (author)

  12. Producing the surface structures with required properties with the help of concentrated fluxes of particles

    International Nuclear Information System (INIS)

    Li, I.P.; Rukhlyada, N.Ya.

    2005-01-01

    Pulsed plasma treatment has been proposed for modification of the surface layers of metal-matrix-porous cathodes and parts of electronic-vacuum devices. Surface plasma treatment leads to improvement of thermal emission properties of effective cathodes: work function decreases, secondary electron emission coefficient increases, and surface emission uniformity improves. With the help of pulse plasma, surface smoothing as well as formation of composite coatings can be done [ru

  13. Acoustic Determination of Near-Surface Soil Properties

    Science.gov (United States)

    2008-12-01

    requiring geostatistical analysis, while nearby others are spatially independent. In studies involving many different soil properties and chemistry ...Am 116(6), p. 3354-3369. Kravchenko, N., C.W. Boast, D.G. Bullock, 1991. Fractal analysis of soil spatial variability. Agronomy Journal 91

  14. Running Economy from a Muscle Energetics Perspective

    Directory of Open Access Journals (Sweden)

    Jared R. Fletcher

    2017-06-01

    Full Text Available The economy of running has traditionally been quantified from the mass-specific oxygen uptake; however, because fuel substrate usage varies with exercise intensity, it is more accurate to express running economy in units of metabolic energy. Fundamentally, the understanding of the major factors that influence the energy cost of running (Erun can be obtained with this approach. Erun is determined by the energy needed for skeletal muscle contraction. Here, we approach the study of Erun from that perspective. The amount of energy needed for skeletal muscle contraction is dependent on the force, duration, shortening, shortening velocity, and length of the muscle. These factors therefore dictate the energy cost of running. It is understood that some determinants of the energy cost of running are not trainable: environmental factors, surface characteristics, and certain anthropometric features. Other factors affecting Erun are altered by training: other anthropometric features, muscle and tendon properties, and running mechanics. Here, the key features that dictate the energy cost during distance running are reviewed in the context of skeletal muscle energetics.

  15. A computational study on the energetics and mechanisms for the dissociative adsorption of SiHx(x = 1-4) on W(1 1 1) surface

    Science.gov (United States)

    Lin, Y. H.; Raghunath, P.; Lin, M. C.

    2016-01-01

    The adsorption and dissociation mechanisms of SiHx(x = 1-4) species on W(1 1 1) surface have been investigated by using the periodic density functional theory with the projector-augmented wave approach. The adsorption of all the species on four surface sites: top (T), bridge (B), shallow (S), and deep (D) sites have been analyzed. For SiH4 on a top site, T-SiH4(a), it is more stable with an adsorption energy of 2.6 kcal/mol. For SiH3, the 3-fold shallow site is most favorable with adsorption energy of 46.0 kcal/mol. For SiH2, its adsorption on a bridge site is most stable with 73.0 kcal/mol binding energy, whereas for SiH and Si the most stable adsorption configurations are on 3-fold deep sites with very high adsorption energies, 111.8 and 134.7 kcal/mol, respectively. The potential energy surfaces for the dissociative adsorption of all SiHx species on the W(1 1 1) surface have been constructed using the CINEB method. The barriers for H-atom migration from SiHx(a) to its neighboring W atoms, preferentially on B-sites, were predicted to be 0.4, 1.0, 4.5 and, 8.0 kcal/mol, respectively, for x = 4, 3, 2, and 1, respectively. The adsorption energy of the H atom on a bridge site on the clean W(1 1 1) surface was predicted to be 65.9 kcal/mol, which was found to be slightly affected by the co-adsorption of SiHx-1 within ± 1 kcal/mol.

  16. Modification of surface properties of LLDPE by water plasma discharge

    International Nuclear Information System (INIS)

    Chantara Thevy Ratnam; Hill, D.J.T.; Firas Rasoul; Whittaker, A.K.; Imelda Keen

    2007-01-01

    Linear low density polyethylene (LLDPE) surface was modified by water plasma treatment. The LLDPE surface was treated at 10 and 20 W discharge power at various exposure times. A laboratory scale Megatherm radio frequency (RF) plasma apparatus that operates at 27 MHz was used to generate the water plasmas. The changes in chemical structure of the LLDPE polymeric chain upon plasma treatment were characterized by FTIR and XPS techniques. The selectivity of trifluoroacetic anhydride (TFAA) toward hydroxyl groups is used to quantify the hydroxyl groups formed on the polymer surface upon plasma treatment. After exposition to the plasma discharge a decline in water contact angle were observed. FTIR and XPS measurements indicate an oxidation of degraded polymeric chains and creation of hydroxyl, carbonyl, ether, ester and carboxyl groups. Chemical derivatization with TFAA of water plasma treated polymer surfaces has shown that under the conditions employed, a very small (less than 5%) of the oxygen introduced by the water plasma treatment was present as hydroxyl group. (Author)

  17. Tuning Acoustic Wave Properties by Mechanical Resonators on a Surface

    DEFF Research Database (Denmark)

    Dühring, Maria Bayard; Laude, Vincent; Khelif, Abdelkrim

    Vibrations generated by high aspects ratio electrodes are studied by the finite element method. It is found that the modes are combined of a surface wave and vibration in the electrodes. For increasing aspect ratio most of the mechanical energy is confined to the electrodes which act as mechanical...

  18. An instrument for the measurement of road surface reflection properties

    DEFF Research Database (Denmark)

    Corell, Dennis Dan; Sørensen, K.

    2017-01-01

    Road surface reflection data in the form of standard r-tables serve as input for design calculations of road lighting installations on traffic roads. However, in several countries the use of the standard r-tables has not been verified by measurement in a long period of time, while the types of road...

  19. The surface layer of austempered ductile iron investment castings properties

    Directory of Open Access Journals (Sweden)

    D. Myszka

    2009-01-01

    Full Text Available The article presents a unique process of carbonnitriding and nitriding the precision casting surfaces of austempered ductile iron. The results of the research are pointing that adequate process parameters allow to obtain multiple increase of wear resistance and a significant increase of corrosion resistance. Also, changes of cast microstructure and hardness are presented.

  20. Mechanical Properties of Glass Surfaces Coated with Tin Oxide

    DEFF Research Database (Denmark)

    Swindlehurst, W. E.; Cantor, B.

    1978-01-01

    The effect of tin oxide coatings on the coefficient of friction and fracture strength of glass surfaces is studied. Experiments were performed partly on commercially treated glass bottles and partly on laboratory prepared microscope slides. Coatings were applied in the laboratory by decomposition...

  1. Physics of energetic ions

    International Nuclear Information System (INIS)

    1999-01-01

    Physics knowledge (theory and experiment) in energetic particles relevant to design of a reactor scale tokamak is reviewed, and projections for ITER are provided in this Chapter of the ITER Physics Basis. The review includes single particle effects such as classical alpha particle heating and toroidal field ripple loss, as well as collective instabilities that might be generated in ITER plasmas by energetic alpha particles. The overall conclusion is that fusion alpha particles are expected to provide an efficient plasma heating for ignition and sustained burn in the next step device. The major concern is localized heat loads on the plasma facing components produced by alpha particle loss, which might affect their lifetime in a tokamak reactor. (author)

  2. Electrical properties of Titan's surface from Cassini RADAR scatterometer measurements

    Science.gov (United States)

    Wye, Lauren C.; Zebker, Howard A.; Ostro, Steven J.; West, Richard D.; Gim, Yonggyu; Lorenz, Ralph D.; The Cassini Radar Team

    2007-06-01

    We report regional-scale low-resolution backscatter images of Titan's surface acquired by the Cassini RADAR scatterometer at a wavelength of 2.18-cm. We find that the average angular dependence of the backscatter from large regions and from specific surface features is consistent with a model composed of a quasi-specular Hagfors term plus a diffuse cosine component. A Gaussian quasi-specular term also fits the data, but less well than the Hagfors term. We derive values for the mean dielectric constant and root-mean-square (rms) slope of the surface from the quasi-specular term, which we ascribe to scattering from the surface interface only. The diffuse term accommodates contributions from volume scattering, multiple scattering, or wavelength-scale near-surface structure. The Hagfors model results imply a surface with regional mean dielectric constants between 1.9 and 3.6 and regional surface roughness that varies between 5.3° and 13.4° in rms-slope. Dielectric constants between 2 and 3 are expected for a surface composed of solid simple hydrocarbons, water ice, or a mixture of both. Smaller dielectric constants, between 1.6 and 1.9, are consistent with liquid hydrocarbons, while larger dielectric constants, near 4.5, may indicate the presence of water-ammonia ice [Lorenz, R.D., 1998. Icarus 136, 344-348] or organic heteropolymers [Thompson, W.R., Squyres, S.W., 1990. Icarus 86, 336-354]. We present backscatter images corrected for angular effects using the model residuals, which show strong features that correspond roughly to those in 0.94-μm ISS images. We model the localized backscatter from specific features to estimate dielectric constant and rms slope when the angular coverage is within the quasi-specular part of the backscatter curve. Only two apparent surface features are scanned with angular coverage sufficient for accurate modeling. Data from the bright albedo feature Quivira suggests a dielectric constant near 2.8 and rms slope near 10.1°. The dark

  3. Dielectric properties of DNA oligonucleotides on the surface of silicon nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Bagraev, N. T., E-mail: bagraev@mail.ioffe.ru [St. Petersburg Polytechnic University (Russian Federation); Chernev, A. L. [Russian Academy of Sciences, St. Petersburg Academic University—Nanotechnology Research and Education Center (Russian Federation); Klyachkin, L. E. [St. Petersburg Polytechnic University (Russian Federation); Malyarenko, A. M. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Emel’yanov, A. K.; Dubina, M. V. [Russian Academy of Sciences, St. Petersburg Academic University—Nanotechnology Research and Education Center (Russian Federation)

    2016-10-15

    Planar silicon nanostructures that are formed as a very narrow silicon quantum well confined by δ barriers heavily doped with boron are used to study the dielectric properties of DNA oligonucleotides deposited onto the surface of the nanostructures. The capacitance characteristics of the silicon nanostructures with oligonucleotides deposited onto their surface are determined by recording the local tunneling current–voltage characteristics by means of scanning tunneling microscopy. The results show the possibility of identifying the local dielectric properties of DNA oligonucleotide segments consisting of repeating G–C pairs. These properties apparently give grounds to correlate the segments with polymer molecules exhibiting the properties of multiferroics.

  4. Use of neutrals backscattering for studying the vibrational properties of solid surfaces

    International Nuclear Information System (INIS)

    Lapujoulade, J.

    1975-01-01

    The neutrals (rare gases) elastic scattering may be used for studying some interesting properties of surfaces. However, an analysis of inelastic phenomena is mostly to be performed when vibrational properties of metallic surfaces are investigated. The dispersion relation of surface phonons has not yet been experimentally obtained from neutrals backscattering from solid surfaces, but the quasi-elastic scattering of helium should give this information on condition that velocity measurements are refined in view of directly obtained the distribution function rather than its moments and determining the preponderance of one-phonon transitions, or obtaining a detailed description of many-phonon exchanges [fr

  5. Effect of surface physical and chemical properties on interaction and annihilation mechanisms of positrons

    International Nuclear Information System (INIS)

    Gol'danskij, V.I.; Levin, B.M.; Shantarovich, V.P.

    1982-01-01

    The possibility of positron use is illustrated, to investigate physical and chemical properties of the surface, by a number of effects found by the authors while studying the interaction and annihilation of β + -decay positrons in highly-dispersed heterogeneous systems positronium formation and ortho-para conversion close to the surface of metal particles in a dielectric matrix, postronium oxidation by proton centers on the surface of an aluminosilicate catalyst). The ways, new in the main, are revealed to study the properties of the surface by the technique of monochromatic positron beams of low energy

  6. Depth-dependent and surface damages in MgAl sub 2 O sub 4 and MgO irradiated with energetic iodine ions

    CERN Document Server

    Aruga, T; Ohmichi, T; Okayasu, S; Kazumata, Y; Jitsukawa, S

    2002-01-01

    Samples of polycrystalline ceramics of MgAl sub 2 O sub 4 irradiated at the ambient temperature with 85 MeV I sup 7 sup + iodine ions to doses up to 1x10 sup 1 sup 9 m sup - sup 2 is observed to be amorphized up to depths around 6 mu m from the ion-incident surface for a dose of 1.2x10 sup 1 sup 9 m sup - sup 2 , through a cross-sectional transmission electron microscopy. A step height of 1 mu m is formed across the border between the masked and irradiated regions of the surface. The height of the step is observed to increase sharply from the irradiated area towards the edge at the border, forming a peak as tall as 1.5 mu m. A glossy, silver-gray film with a thickness less than 0.1 mu m is unexpectedly observed to have formed on the surface of samples of MgAl sub 2 O sub 4 and MgO, in about 3.5 years aging after the irradiation to 1.2x10 sup 1 sup 9 m sup - sup 2 , being left untouched in the air. The film is easily peeled off along grain boundaries and found to be amorphous from the electron diffraction patt...

  7. An effect of surface properties on detachment of adhered solid to cooling surface for formation of clathrate hydrate slurry

    Science.gov (United States)

    Daitoku, Tadafumi; Utaka, Yoshio

    In air-conditioning systems, it is desirable that the liquid-solid phase change temperature of a cool energy storage material is approximately 10 °C from the perspective of improving coefficient of performance (COP). Moreover, a thermal storage material that forms slurry can realize large heat capacity of working fluids. Since the solid that adheres to the heat transfer surface forms a thermal resistance layer and remarkably reduces the rate of cold storage, it is important to avoid the adhesion of a thick solid layer on the surface so as to realize efficient energy storage. Considering a harvest type cooling unit, the force required for removing the solid phase from the heat transfer surface was studied. Tetra-n-butylammonium Bromide (TBAB) clathrate hydrate was used as a cold storage material. The effect of the heat transfer surface properties on the scraping force for detachment of adhered solid of TBAB hydrate to the heat transfer surface was examined experimentally.

  8. Fluorinated cellular polypropylene films with time-invariant excellent surface electret properties by post-treatments

    International Nuclear Information System (INIS)

    An Zhenlian; Mao Mingjun; Yao Junlan; Zhang Yewen; Xia Zhongfu

    2010-01-01

    In this work, to improve the electret properties of cellular polypropylene films, they were fluorinated and post-treated with nitrous oxide and by isothermal crystallization. Surface electret properties of the samples were investigated by thermally stimulated discharge current measurements, and their compositions and structures were analysed by attenuated total reflection infrared spectroscopy and wide angle x-ray diffraction, respectively. Time-dependent deterioration of surface electret properties was observed for the fluorinated samples without the nitrous oxide post-treatment. However, deterioration did not occur for the fluorinated samples post-treated with nitrous oxide, and time-invariant excellent surface electret properties or deep surface charge traps were obtained by the combined post-treatments of the fluorinated samples with nitrous oxide and by isothermal crystallization. Based on the analyses of composition and structure of the treated samples, the deterioration was clarified to be due to a trace of oxygen in the reactive mixture, which led to the formation of peroxy RO 2 . radicals in the fluorinated surface layer. The time invariability of surface electret properties was owing to the rapid termination of the peroxy RO 2 . radicals by nitrous oxide. And the deep surface charge traps resulted from the isothermal crystallization treatment which led to an increase in the efficient charging interface between the crystallite and amorphous region and its property change.

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

    Science.gov (United States)

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

    2014-10-28

    A six-dimensional potential energy hypersurface (PES) for two interacting rigid ethylene oxide (C2H4O) molecules was determined from high-level quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the MP2 and CCSD(T) levels of theory was utilized to determine interaction energies for 10178 configurations of two molecules. An analytical site-site potential function with 19 sites per ethylene oxide molecule was fitted to the interaction energies and fine tuned to agree with data for the second acoustic virial coefficient from accurate speed of sound measurements. The PES was validated by computing the second virial coefficient, shear viscosity, and thermal conductivity. The values of these properties are substantiated by the best experimental data as they tend to fall within the uncertainty intervals and also obey the experimental temperature functions, except for viscosity, where experimental data are insufficient. Due to the lack of reliable data, especially for the transport properties, our calculated values are currently the most accurate estimates for these properties of ethylene oxide.

  10. Influence of the step properties on submonolayer growth of Ge and Si at the Si(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Romanyuk, Konstantin

    2009-10-21

    preferred steps direction resulting into different islands shapes. The symmetry of the properties of the different step directions can determine the symmetry of the 2D islands. The growth shape of reconstructed 2D islands (nanostructures) on reconstructed surfaces can deviate from the internal symmetry of the substrate and the island. An analysis of the symmetry of the combined system of reconstructed substrate and island can deduce predictions for the island growth shape. It was found experimentally that the shape of two-dimensional (2D) Si or Ge islands has a lower symmetry than the threefold symmetry of the underlying Si(111) substrate if Bi is used as a surfactant during growth. Arrow-shaped or rhomb-shaped 2D islands were observed by scanning tunneling microscopy. This symmetry breaking was explained by a mutual shift between the surface reconstructions present on the substrate and on the islands. The mutual shift results into different step structure for initially symmetry related step directions. Using the kinematic Wulff construction the growth velocities of the steps could be determined from the island shape if the nucleation center had been located by a marker technique. The structural stability of 2D SiGe nanostructures was studied by scanning tunneling microscopy (STM). The formation of pits with a diameter of 2 - 30 nm in one atomic layer thick Ge stripes was observed. The unanticipated pit formation occurs due to an energetically driven motion of the Ge atoms out of the Ge stripe towards the Si terminated step edge followed by an entropy driven GeSi intermixing at the step edge. The pit formation can be also used for nanostructuring. Using conditions at which pit formation is enhanced the fabrication of freestanding GeSi stipes with single digit nanometer width is possible. Continuous {proportional_to} 8 nm wide freestanding GeSi wires have been fabricated by pit coalescence. (orig.)

  11. The effect of radiosterilization on surface properties of polyurethane film

    International Nuclear Information System (INIS)

    Sheikh, N.

    2003-01-01

    In this paper the effect of sterilization method by gamma-ray on structure and cytotoxicity of polyurethane film surface has been investigated. For this purpose reactive urethan prepolymer was synthesized by the reaction between Tdi with a mixture of Peg and castro oil (50/50, w/w). The cured prepolymer films were prepared due to the reaction of reactive prepolymer with air moister under ambient conditions. The polyurethane films were sterilized by gamma-ray (25 kGy). The surface of sterilized polyurethane film was observed by Sem and compared to that of the unsterilized film. Also, the in vitro interaction of fibroblast L 929 cells and sterilized polyurethane film was evaluated. Results showed no signs of cell toxicity

  12. Survey of surface roughness properties of synchrotron radiation optics

    International Nuclear Information System (INIS)

    Takacs, P.Z.; Colbert, J.; Church, E.L.

    1986-03-01

    Measurements of surface roughness were made on a large number of grazing incidence mirrors delivered for use at the National Synchrotron Light Source (NSLS) at Brookhaven National Laboratory. The measurements were made with a WYKO optical profiler using a 2.5X and a 10X objective and analyzed with our PROFILE code to generate an average periodogram representation for each surface. The data is presented in the form of representative profiles with all of the periodogram curves arranged according to figure type. Analysis of the periodograms allows one to compute bandwidth-limited values for RMS roughness and slope, to provide valuable feedback information to manufacturers regarding compliance with specifications, and to predict the performance of the optic at x-ray wavelengths

  13. Application of Anodization Process for Cast Aluminium Surface Properties Enhancement

    Directory of Open Access Journals (Sweden)

    Włodarczyk-Fligier A.

    2016-09-01

    Full Text Available An huge interest is observed in last years in metal matrix composite, mostly light metal based, which have found their applications in many industry branches, among others in the aircraft industry, automotive-, and armaments ones, as well as in electrical engineering and electronics, where one of the most important issue is related to the corrosion resistance, especially on the surface layer of the used aluminium alloys. This elaboration presents the influence of ceramic phase on the corrosion resistance, quality of the surface layer its thickness and structure of an anodic layer formed on aluminium alloys. As test materials it was applied the aluminium alloys Al-Si-Cu and Al-Cu-Mg, for which heat treatment processes and corrosion tests were carried out. It was presented herein grindability test results and metallographic examination, as well. Hardness of the treated alloys with those ones subjected to corrosion process were compared.

  14. Reflection properties of hydrogen ions at helium irradiated tungsten surfaces

    International Nuclear Information System (INIS)

    Doi, K; Tawada, Y; Kato, S; Sasao, M; Kenmotsu, T; Wada, M; Lee, H T; Ueda, Y; Tanaka, N; Kisaki, M; Nishiura, M; Matsumoto, Y; Yamaoka, H

    2016-01-01

    Nanostructured W surfaces prepared by He bombardment exhibit characteristic angular distributions of hydrogen ion reflection upon injection of 1 keV H + beam. A magnetic momentum analyzer that can move in the vacuum chamber has measured the angular dependence of the intensity and the energy of reflected ions. Broader angular distributions were observed for He-irradiated tungsten samples compared with that of the intrinsic polycrystalline W. Both intensity and energy of reflected ions decreased in the following order: the polycrystalline W, the He-bubble containing W, and the fuzz W. Classical trajectory Monte Carlo simulations based on Atomic Collision in Amorphous Target code suggests that lower atom density near the surface can make the reflection coefficients lower due to increasing number of collisions. (paper)

  15. A comparison of surface properties of metallic thin film photocathodes

    CERN Document Server

    Mistry, Sonal; Valizadeh, Reza; Jones, L.B; Middleman, Keith; Hannah, Adrian; Militsyn, B.L; Noakes, Tim

    2017-01-01

    In this work the preparation of metal photocathodes by physical vapour deposition magnetron sputtering has been employed to deposit metallic thin films onto Cu, Mo and Si substrates. The use of metallic cathodes offers several advantages: (i) metal photocathodes present a fast response time and a relative insensitivity to the vacuum environment (ii) metallic thin films when prepared and transferred in vacuum can offer smoother and cleaner emitting surfaces. The photocathodes developed here will ultimately be used in S-band Normal Conducting RF (NCRF) guns such as that used in VELA (Versatile Electron Linear Accelerator) and the proposed CLARA (Compact Linear Accelerator for Research and Applications) Free Electron Laser test facility. The samples grown on Si substrates were used to investigate the morphology and thickness of the film. The samples grown onto Cu and Mo substrates were analysed and tested as photocathodes in a surface characterisation chamber, where X-Ray Photoelectron spectroscopy (XPS) was emp...

  16. Surface-bound microgels - From physicochemical properties to biomedical applications

    DEFF Research Database (Denmark)

    Nyström, Lina; Malmsten, Martin

    2016-01-01

    Microgels offer robust and facile approaches for surface modification, as well as opportunities to introduce biological functionality by loading such structures with bioactive agents, e.g., in the context of drug delivery, functional biomaterials, and biosensors. As such, they provide a versatile...... and covalent grafting in dilute systems, to directed self-assembly, multilayer structures, and composites, as well as loading an release of drugs and other cargo molecules into/from such systems, and biomedical applications of these....

  17. Microstructural evolution and surface properties of nanostructured Cu-based alloy by ultrasonic nanocrystalline surface modification technique

    Energy Technology Data Exchange (ETDEWEB)

    Amanov, Auezhan, E-mail: amanov_a@yahoo.com [Department of Mechanical Engineering, Sun Moon University, Asan 336-708 (Korea, Republic of); Cho, In-Sik [R& D Group, Mbrosia Co., Ltd., Asan 336-708 (Korea, Republic of); Pyun, Young-Sik [Department of Mechanical Engineering, Sun Moon University, Asan 336-708 (Korea, Republic of)

    2016-12-01

    Graphical abstract: - Highlights: • A nanostructured surface was produced by UNSM technique. • Porosities were eliminated from the surface by UNSM technique. • Extremely high hardness obtained at the top surface after UNSM treatment. • Friction and wear behavior was improved by UNSM technique. • Resistance to scratch behavior was improved by UNSM technique. - Abstract: A nanostructured surface layer with a thickness of about 180 μm was successfully produced in Cu-based alloy using an ultrasonic nanocrystalline surface modification (UNSM) technique. Cu-based alloy was sintered onto low carbon steel using a powder metallurgy (P/M) method. Transmission electron microscope (TEM) characterization revealed that the severe plastic deformation introduced by UNSM technique resulted in nano-sized grains in the topmost surface layer and deformation twins. It was also found by atomic force microscope (AFM) observations that the UNSM technique provides a significant reduction in number of interconnected pores. The effectiveness of nanostructured surface layer on the tribological and micro-scratch properties of Cu-based alloy specimens was investigated using a ball-on-disk tribometer and micro-scratch tester, respectively. Results exhibited that the UNSM-treated specimen led to an improvement in tribological and micro-scratch properties compared to that of the sintered specimen, which may be attributed to the presence of nanostructured surface layer having an increase in surface hardness and reduction in surface roughness. The findings from this study are expected to be implemented to the automotive industry, in particular connected rod bearings and bushings in order to increase the efficiency and performance of internal combustion engines (ICEs).

  18. Atomic interactions at the (100) diamond surface and the impact of surface and interface changes on the electronic transport properties

    Science.gov (United States)

    Deferme, Wim

    Centuries and centuries already, diamond is a material that speaks to ones imagination. Till the 18th century it was only mined in India, after it was also found in Brazil and South-Africa. But along the fascinating properties of diamond, it is also a very interesting material for industry. After the discovery at the end of the 18th century that diamond consists of carbon, it took until the 50's of the previous century before research groups from Russia, Japan and the USA were able to reproduce the growth process of diamond. In 1989 it was discovered that the surface of intrinsic, insulation diamond can be made conductive by hydrogenating the surface. It was clear that not only hydrogen at the surface but also the so called "adsorbates" were responsible for this conductivity. It was still not completely clear what was the influence of other species (like oxygen) on the mechanism of surface conductivity and therefore in this thesis the influence of oxygen on the electronic transport properties of atomically flat diamond are researched. Besides the growth of atomically flat diamond with the use of CVD (chemical vapour deposition) en the study of the grown surfaces with characterising techniques such as AFM (atomic force microscopy) and STM (scanning tunnelling microscopy), the study of the surface treatment with plasma techniques is the main topic of this thesis. The influence of oxygen on the surface conductivity is studied and with the ToF (Time-of-Flight) technique the transport properties of the freestanding diamond are examined. With a short laserflash, electrons and holes are created at the diamond/aluminium interface and due to an electric field (up to 500V) the charge carriers are translated to the back contact. In this way the influence of the surface and the changes at the aluminum contacts is studied leading to very interesting results.

  19. The Influence of the Tool Surface Texture on Friction and the Surface Layers Properties of Formed Component

    Directory of Open Access Journals (Sweden)

    Jana Šugárová

    2018-03-01

    Full Text Available The morphological texturing of forming tool surfaces has high potential to reduce friction and tool wear and also has impact on the surface layers properties of formed material. In order to understand the effect of different types of tool textures, produced by nanosecond fibre laser, on the tribological conditions at the interface tool-formed material and on the integrity of formed part surface layers, the series of experimental investigations have been carried out. The coefficient of friction for different texture parameters (individual feature shape, including the depth profile of the cavities and orientation of the features relative to the material flow was evaluated via a Ring Test and the surface layers integrity of formed material (surface roughness and subsurface micro hardness was also experimentally analysed. The results showed a positive effect of surface texturing on the friction coefficients and the strain hardening of test samples material. Application of surface texture consisting of dimple-like depressions arranged in radial layout contributed to the most significant friction reduction of about 40%. On the other hand, this surface texture contributed to the increase of surface roughness parameters, Ra parameter increased from 0.49 μm to 2.19 μm and the Rz parameter increased from 0.99 μm to 16.79 μm.

  20. Fluorination effects on the thermodynamic, thermophysical and surface properties of ionic liquids

    International Nuclear Information System (INIS)

    Vieira, N.S.M.; Luís, A.; Reis, P.M.; Carvalho, P.J.; Lopes-da-Silva, J.A.; Esperança, J.M.S.S.; Araújo, J.M.M.; Rebelo, L.P.N.; Freire, M.G.; Pereiro, A.B.

    2016-01-01

    Highlights: • Surface tension of fluorinated ionic liquids. • Thermophysical properties of fluorinated ionic liquids. • Thermal properties and thermodynamic functions. - Abstract: This paper reports the thermal, thermodynamic, thermophysical and surface properties of eight ionic liquids with fluorinated alkyl side chain lengths equal or greater than four carbon atoms. Melting and decomposition temperatures were determined together with experimental densities, surface tensions, refractive indices, dynamic viscosities and ionic conductivities in a temperature interval ranging from (293.15 to 353.15) K. The surface properties of these fluorinated ionic liquids were discussed and several thermodynamic functions, as well as critical temperatures, were estimated. Coefficients of isobaric thermal expansion, molecular volumes and free volume effects were calculated from experimental values of density and refractive index and compared with previous data. Finally, Walden plots were used to evaluate the ionicity of the investigated ionic liquids.

  1. Multilayered nanoclusters of platinum and gold: insights on electrodeposition pathways, electrocatalysis, surface and bulk compositional properties

    CSIR Research Space (South Africa)

    Mkwizu, TS

    2013-06-01

    Full Text Available Electrochemical, surface and bulk compositional properties of multilayered nanoclusters of Pt and Au, electrochemically deposited on glassy carbon under conditions involving sequential surface–limited redox–replacement reactions (performed at open...

  2. STRUCTURAL AND PHYSICOCHEMICAL SURFACE-PROPERTIES OF SERRATIA-MARCESCENS STRAINS

    NARCIS (Netherlands)

    VANDERMEI, HC; COWAN, MM; GENET, MJ; ROUXHET, PG; BUSSCHER, HJ

    1992-01-01

    Serratia marcescens is an important pathogen with noteworthy hydrophobicity characteristics as assessed by microbial adhesion to hydrocarbons. However, the present knowledge on the surface characteristics of S. marcescens strains does not include physicochemical properties relevant for adhesion such

  3. the study of thermal effect on the surface properties of gamma ...

    African Journals Online (AJOL)

    eobe

    excellent properties such as highly uniform channels, large surface area and narrow pore size distribution. It has been widely used as adsorbents, ... important material that can be prepared from bauxite or kaolin in several different phases.

  4. Surface electronic and structural properties of nanostructured titanium oxide grown by pulsed laser deposition

    NARCIS (Netherlands)

    Fusi, M.; Maccallini, E.; Caruso, T.; Casari, C. S.; Bassi, A. Li; Bottani, C. E.; Rudolf, P.; Prince, K. C.; Agostino, R. G.

    Titanium oxide nanostructured thin films synthesized by pulsed laser deposition (PLD) were here characterized with a multi-technique approach to investigate the relation between surface electronic, structural and morphological properties. Depending on the growth parameters, these films present

  5. Numerical study of propagation properties of surface plasmon polaritons in nonlinear media

    KAUST Repository

    Sagor, Rakibul Hasan; Ghulam Saber, Md.; Alsunaidi, Mohammad

    2016-01-01

    We present a time-domain algorithm for simulating nonlinear propagation of surface plasmon polaritons (SPPs) in chalcogenide glass. Due to the high non-linearity property and strong dispersion and confinement chalcogenide glasses are widely known

  6. Electronic properties of adsorbates and clean surfaces of metals and semiconductors

    International Nuclear Information System (INIS)

    Lecante, J.

    1980-01-01

    This paper surveys recent progress in experimental studies on electronic properties of adsorbates and clean metal surfaces. Electron spectroscopy and particularly angle resolved photoelectron spectroscopy appears to be a very powerful tool to get informations on electronic levels of adsorbates or clean surfaces. Moreover this technique may also give informations about the atomic geometry of the surface. Experimental investigation about surface plasmons, surface states, core level shifts are presented for clean surfaces. As examples of adsorbate covered surfaces two typical cases are chosen: two dimensional band structure and oriented molecules. Finally the photoelectron diffraction may be used for surface structure determination either in the case of an adsorbate or a clean metal surface [fr

  7. Microstructure and surface properties of lignocellulosic-based activated carbons

    International Nuclear Information System (INIS)

    González-García, P.; Centeno, T.A.; Urones-Garrote, E.; Ávila-Brande, D.; Otero-Díaz, L.C.

    2013-01-01

    Highlights: ► Activated carbons were produced by KOH activation at 700 °C. ► The observed nanostructure consists of highly disordered graphene–like layers with sp 2 bond content ≈ 95%. ► Textural parameters show high surface area (≈ 1000 m 2 /g) and pore width of 1.3–1.8 nm. ► Specific capacitance reaches values as high as 161 F/g. - Abstract: Low cost activated carbons have been produced via chemical activation, by using KOH at 700 °C, from the bamboo species Guadua Angustifolia and Bambusa Vulgaris Striata and the residues from shells of the fruits of Castanea Sativa and Juglans Regia as carbon precursors. The scanning electron microscopy micrographs show the conservation of the precursor shape in the case of the Guadua Angustifolia and Bambusa Vulgaris Striata activated carbons. Transmission electron microscopy analyses reveal that these materials consist of carbon platelet–like particles with variable length and thickness, formed by highly disordered graphene–like layers with sp 2 content ≈ 95% and average mass density of 1.65 g/cm 3 (25% below standard graphite). Textural parameters indicate a high porosity development with surface areas ranging from 850 to 1100 m 2 /g and average pore width centered in the supermicropores range (1.3–1.8 nm). The electrochemical performance of the activated carbons shows specific capacitance values at low current density (1 mA/cm 2 ) as high as 161 F/g in the Juglans Regia activated carbon, as a result of its textural parameters and the presence of pseudocapacitance derived from surface oxygenated acidic groups (mainly quinones and ethers) identified in this activated carbon.

  8. Relation between surface properties of thin composite films and osteoblast behaviour in vitro

    International Nuclear Information System (INIS)

    Polak, B; Olkowski, R; Kobiela, T; Lewandowska-Szumiel, M; Fabianowski, W

    2007-01-01

    Si supports for cell culture were modified using poly(acrylic acid) (PAA) and bentonite in order to obtain 'sandwich'-like structures. A layer of PAA cast from water solution was followed with a bentonite layer also cast from water dispersion, then another PAA layer and so on up to six layers. The prepared surfaces had different physical and chemical properties like thickness, topography and elasticity. Chemical composition was characterized by Raman spectroscopy. The elastic properties and topography of modified sandwich-like surfaces were evaluated using nanoindentation and atomic force microscopy measurements. In the next step bone cells were cultured on such modified surfaces composed of one to six layers. The influence of the substrate surface properties on the growth and behaviour of human bone derived cells (HBDC) was studied. The influence of surface topography, elasticity and chemical composition on cells is discussed

  9. Effect of complex alloying of powder materials on properties of laser melted surface layers

    International Nuclear Information System (INIS)

    Tesker, E.I.; Gur'ev, V.A.; Elistratov, V.S.; Savchenko, A.N.

    2001-01-01

    Quality and properties of laser melted surface layers produced using self-fluxing powder mixture of Ni-Cr-B-Si system and the same powders with enhanced Fe content alloyed with Co, Ti, Nb, Mo have been investigated. Composition of powder material is determined which does not cause of defect formation under laser melting and makes possible to produce a good mechanical and tribological properties of treated surface [ru

  10. Physical and chemical properties of materials surfaces and interfaces

    International Nuclear Information System (INIS)

    Barbier, G.; Chevarier, A.; Chevarier, N.; Duclot, J.C.; Jaffrezic, C.; Leblond, E.; Millard-Pinard, N.; Marest, G.; Moncoffre, N.; Plantier, A.; Somatri, R.

    1998-01-01

    These studies are based on the combination of ion implantation and nuclear analysis techniques. They are performed on metals, semiconductors and ceramic materials in collaboration with laboratories involved in the elaboration of these materials. The different studies are the following: 1. surface treatment of aluminium using ion beam techniques; 2. hydrogen release in new plasma facing materials in Tokamak devices; 3. development of ion beam analysis methods to determine elementary depth profiles in thin films used in micro electronics; 4. Moessbauer studies of oxides prepared by laser ablation and ion implantation. (authors)

  11. 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

  12. Surface properties of thermally treated composite wood panels

    Science.gov (United States)

    Croitoru, Catalin; Spirchez, Cosmin; Lunguleasa, Aurel; Cristea, Daniel; Roata, Ionut Claudiu; Pop, Mihai Alin; Bedo, Tibor; Stanciu, Elena Manuela; Pascu, Alexandru

    2018-04-01

    Composite finger-jointed spruce and oak wood panels have been thermally treated under standard pressure and oxygen content conditions at two different temperatures, 180 °C and respectively 200 °C for short time periods (3 and 5 h). Due to the thermally-aided chemical restructuration of the wood components, a decrease in water uptake and volumetric swelling values with up to 45% for spruce and 35% for oak have been registered, comparing to the reference samples. In relation to water resistance, a 15% increase of the dispersive component of the surface energy has been registered for the thermal-treated spruce panels, which impedes water spreading on the surface. The thermal-treated wood presents superior resistance to accelerated UV exposure and subsequently, with up to 10% higher Brinell hardness values than reference wood. The proposed thermal treatment improves the durability of the finger-jointed wood through a more economically and environmental friendly method than traditional impregnation, with minimal degradative impact on the structural components of wood.

  13. Assessment of soil compaction properties based on surface wave techniques

    Science.gov (United States)

    Jihan Syamimi Jafri, Nur; Rahim, Mohd Asri Ab; Zahid, Mohd Zulham Affandi Mohd; Faizah Bawadi, Nor; Munsif Ahmad, Muhammad; Faizal Mansor, Ahmad; Omar, Wan Mohd Sabki Wan

    2018-03-01

    Soil compaction plays an important role in every construction activities to reduce risks of any damage. Traditionally, methods of assessing compaction include field tests and invasive penetration tests for compacted areas have great limitations, which caused time-consuming in evaluating large areas. Thus, this study proposed the possibility of using non-invasive surface wave method like Multi-channel Analysis of Surface Wave (MASW) as a useful tool for assessing soil compaction. The aim of this study was to determine the shear wave velocity profiles and field density of compacted soils under varying compaction efforts by using MASW method. Pre and post compaction of MASW survey were conducted at Pauh Campus, UniMAP after applying rolling compaction with variation of passes (2, 6 and 10). Each seismic data was recorded by GEODE seismograph. Sand replacement test was conducted for each survey line to obtain the field density data. All seismic data were processed using SeisImager/SW software. The results show the shear wave velocity profiles increase with the number of passes from 0 to 6 passes, but decrease after 10 passes. This method could attract the interest of geotechnical community, as it can be an alternative tool to the standard test for assessing of soil compaction in the field operation.

  14. Microstructure and surface properties of lignocellulosic-based activated carbons

    Science.gov (United States)

    González-García, P.; Centeno, T. A.; Urones-Garrote, E.; Ávila-Brande, D.; Otero-Díaz, L. C.

    2013-01-01

    Low cost activated carbons have been produced via chemical activation, by using KOH at 700 °C, from the bamboo species Guadua Angustifolia and Bambusa Vulgaris Striata and the residues from shells of the fruits of Castanea Sativa and Juglans Regia as carbon precursors. The scanning electron microscopy micrographs show the conservation of the precursor shape in the case of the Guadua Angustifolia and Bambusa Vulgaris Striata activated carbons. Transmission electron microscopy analyses reveal that these materials consist of carbon platelet-like particles with variable length and thickness, formed by highly disordered graphene-like layers with sp2 content ≈ 95% and average mass density of 1.65 g/cm3 (25% below standard graphite). Textural parameters indicate a high porosity development with surface areas ranging from 850 to 1100 m2/g and average pore width centered in the supermicropores range (1.3-1.8 nm). The electrochemical performance of the activated carbons shows specific capacitance values at low current density (1 mA/cm2) as high as 161 F/g in the Juglans Regia activated carbon, as a result of its textural parameters and the presence of pseudocapacitance derived from surface oxygenated acidic groups (mainly quinones and ethers) identified in this activated carbon.

  15. Biological properties of Lactobacillus surface proteins 

    Directory of Open Access Journals (Sweden)

    Barbara Buda

    2013-04-01

    Full Text Available Lactobacillus, a genus of Gram-positive bacteria, includes many strains of probiotic microflora. Probiotics, by definition, are living microorganisms that exert beneficial effects on the host organism. The morphology and physiology of the Lactobacillus bacterial genus are described. The structure of the cell wall of Gram-positive bacteria is discussed. The surface S-layer of Lactobacillus composed of proteins (SLP with low molecular mass is presented. Cell surface proteins participating in the regulation of growth and survival of the intestinal epithelium cells are characterized. The influence of stress factors such as increased temperature, pH, and enzymes of gastric and pancreatic juice on SLP expression is described. The ability of binding of heavy metal ions by S-layer proteins is discussed. The characteristics of these structures, including the ability to adhere to epithelial cells, and the inhibition of invasion of pathogenic microflora of type Shigella, Salmonella, Escherichia coli and Clostridium and their toxins, are presented. 

  16. Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water Orientations.

    Science.gov (United States)

    Glatz, Brittany; Sarupria, Sapna

    2018-01-23

    Ice is ubiquitous in nature, and heterogeneous ice nucleation is the most common pathway of ice formation. How surface properties affect the propensity to observe ice nucleation on that surface remains an open question. We present results of molecular dynamics studies of heterogeneous ice nucleation on model surfaces. The models surfaces considered emulate the chemistry of kaolinite, an abundant component of mineral dust. We investigate the interplay of surface lattice and hydrogen bonding properties in affecting ice nucleation. We find that lattice matching and hydrogen bonding are necessary but not sufficient conditions for observing ice nucleation at these surfaces. We correlate this behavior to the orientations sampled by the metastable supercooled water in contact with the surfaces. We find that ice is observed in cases where water molecules not only sample orientations favorable for bilayer formation but also do not sample unfavorable orientations. This distribution depends on both surface-water and water-water interactions and can change with subtle modifications to the surface properties. Our results provide insights into the diverse behavior of ice nucleation observed at different surfaces and highlight the complexity in elucidating heterogeneous ice nucleation.

  17. Rocket measurements of energetic particles in the midlatitude precipitation zone

    Science.gov (United States)

    Voss, H. D.; Smith, L. G.; Braswell, F. M.

    1980-01-01

    Measurements of energetic ion and electron properties as a function of altitude in the midlatitude zone of nighttime energetic particle precipitation are reported. The measurements of particle fluxes, energy spectra and pitch angle distributions were obtained by a Langmuir probe, six energetic particle spectrometers and an electrostatic analyzer on board a Nike Apache rocket launched near the center of the midlatitude zone during disturbed conditions. It is found that the incident flux was primarily absorbed rather than backscattered, and consists of mainly energetic hydrogen together with some helium and a small energetic electron component. Observed differential energy spectra of protons having an exponential energy spectrum, and pitch angle distributions at various altitudes indicate that the energetic particle flux decreases rapidly for pitch angles less than 70 deg. An energetic particle energy flux of 0.002 ergs/sq cm per sec is calculated which indicates the significance of energetic particles as a primary nighttime ionization source for altitudes between 120 and 200 km in the midlatitude precipitation zone.

  18. Surface Functionalization of Thin-Film Composite Membranes with Copper Nanoparticles for Antimicrobial Surface Properties

    KAUST Repository

    Ben-Sasson, Moshe

    2014-01-07

    Biofouling is a major operational challenge in reverse osmosis (RO) desalination, motivating a search for improved biofouling control strategies. Copper, long known for its antibacterial activity and relatively low cost, is an attractive potential biocidal agent. In this paper, we present a method for loading copper nanoparticles (Cu-NPs) on the surface of a thin-film composite (TFC) polyamide RO membrane. Cu-NPs were synthesized using polyethyleneimine (PEI) as a capping agent, resulting in particles with an average radius of 34 nm and a copper content between 39 and 49 wt.%. The positive charge of the Cu-NPs imparted by the PEI allowed a simple electrostatic functionalization of the negatively charged RO membrane. We confirmed functionalization and irreversible binding of the Cu-NPs to the membrane surface with SEM and XPS after exposing the membrane to bath sonication. We also demonstrated that Cu-NP functionalization can be repeated after the Cu-NPs dissolve from the membrane surface. The Cu-NP functionalization had minimal impact on the intrinsic membrane transport parameters. Surface hydrophilicity and surface roughness were also maintained, and the membrane surface charge became positive after functionalization. The functionalized membrane exhibited significant antibacterial activity, leading to an 80-95% reduction in the number of attached live bacteria for three different model bacterial strains. Challenges associated with this functionalization method and its implementation in RO desalination are discussed. © 2013 American Chemical Society.

  19. Surface Functionalization of Thin-Film Composite Membranes with Copper Nanoparticles for Antimicrobial Surface Properties

    KAUST Repository

    Ben-Sasson, Moshe; Zodrow, Katherine R.; Genggeng, Qi; Kang, Yan; Giannelis, Emmanuel P.; Elimelech, Menachem

    2014-01-01

    Biofouling is a major operational challenge in reverse osmosis (RO) desalination, motivating a search for improved biofouling control strategies. Copper, long known for its antibacterial activity and relatively low cost, is an attractive potential biocidal agent. In this paper, we present a method for loading copper nanoparticles (Cu-NPs) on the surface of a thin-film composite (TFC) polyamide RO membrane. Cu-NPs were synthesized using polyethyleneimine (PEI) as a capping agent, resulting in particles with an average radius of 34 nm and a copper content between 39 and 49 wt.%. The positive charge of the Cu-NPs imparted by the PEI allowed a simple electrostatic functionalization of the negatively charged RO membrane. We confirmed functionalization and irreversible binding of the Cu-NPs to the membrane surface with SEM and XPS after exposing the membrane to bath sonication. We also demonstrated that Cu-NP functionalization can be repeated after the Cu-NPs dissolve from the membrane surface. The Cu-NP functionalization had minimal impact on the intrinsic membrane transport parameters. Surface hydrophilicity and surface roughness were also maintained, and the membrane surface charge became positive after functionalization. The functionalized membrane exhibited significant antibacterial activity, leading to an 80-95% reduction in the number of attached live bacteria for three different model bacterial strains. Challenges associated with this functionalization method and its implementation in RO desalination are discussed. © 2013 American Chemical Society.

  20. Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

    Energy Technology Data Exchange (ETDEWEB)

    Lollobrigida, V. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F. [Istituto Nazionale di Ricerca Metrologica (INRIM), I-10135 Torino (Italy); Borgatti, F. [CNR, Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), I-40129 Bologna (Italy); Torelli, P.; Panaccione, G. [CNR, Istituto Officina dei Materiali (IOM), Lab. TASC, I-34149 Trieste (Italy); Tortora, L. [Laboratorio di Analisi di Superficie, Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Ingegneria Meccanica, Università Tor Vergata, I-00133 Rome (Italy); Stefani, G.; Offi, F. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy)

    2014-05-28

    We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

  1. Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

    Science.gov (United States)

    Lollobrigida, V.; Basso, V.; Borgatti, F.; Torelli, P.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Tortora, L.; Stefani, G.; Panaccione, G.; Offi, F.

    2014-05-01

    We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

  2. Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

    International Nuclear Information System (INIS)

    Lollobrigida, V.; Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Borgatti, F.; Torelli, P.; Panaccione, G.; Tortora, L.; Stefani, G.; Offi, F.

    2014-01-01

    We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

  3. 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.

  4. Green colorants based on energetic azole borates.

    Science.gov (United States)

    Glück, Johann; Klapötke, Thomas M; Rusan, Magdalena; Stierstorfer, Jörg

    2014-11-24

    The investigation of green-burning boron-based compounds as colorants in pyrotechnic formulations as alternative for barium nitrate, which is a hazard to health and to the environment, is reported. Metal-free and nitrogen-rich dihydrobis(5-aminotetrazolyl)borate salts and dihydrobis(1,3,4-triazolyl)borate salts have been synthesized and characterized by NMR spectroscopy, elemental analysis, mass spectrometry, and vibrational spectroscopy. Their thermal and energetic properties have been determined as well. Several pyrotechnic compositions using selected azolyl borate salts as green colorants were investigated. Formulations with ammonium dinitramide and ammonium nitrate as oxidizers and boron and magnesium as fuels were tested. The burn time, dominant wavelength, spectral purity, luminous intensity, and luminous efficiency as well as the thermal and energetic properties of these compositions were measured. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Microstructures, surface properties, and topotactic transitions of manganite nanorods.

    Science.gov (United States)

    Gao, Tao; Krumeich, Frank; Nesper, Reinhard; Fjellvåg, Helmer; Norby, Poul

    2009-07-06

    Manganite (gamma-MnOOH) nanorods with typical diameters of 20-500 nm and lengths of several micrometers were prepared by reacting KMnO(4) and ethanol under hydrothermal conditions. Synchrotron X-ray diffraction (XRD) reveal that the gamma-MnOOH nanorods crystallize in the monoclinic space group P2(1)/c with unit cell dimensions a = 5.2983(3) A, b = 5.2782(2) A, c = 5.3067(3) A, and beta = 114.401(2) degrees . Transmission electron microscopy shows that the gamma-MnOOH nanorods are single crystalline and that lateral attachment occurs for primary rods elongated along 101. X-ray photoelectron spectroscopy studies indicate that the surfaces of the gamma-MnOOH nanorods are hydrogen deficient and compensated by surface complexation. The Raman scattering spectrum features five main contributions at 360, 389, 530, 558, and 623 cm(-1) along with four weak ones at 266, 453, 492, and 734 cm(-1), attributed to Mn-O vibrations within MnO(6) octahedral frameworks. The structural stability of the gamma-MnOOH nanorods was discussed by means of in situ time-resolved synchrotron XRD. The monoclinic gamma-MnOOH nanorods transform into tetragonal beta-MnO(2) upon heating in air at about 200 degrees C. The reaction is topotactic and shows distinctive differences from those seen for bulk counterparts. A metastable, intermediate phase is observed, possibly connected with hydrogen release via the interstitial (1 x 1) tunnels of the gamma-MnOOH nanorods.

  6. Applications of asymmetric nanotextured parylene surface using its wetting and transport properties

    Science.gov (United States)

    Sekeroglu, Koray

    In this thesis, basic digital fluidics devices were introduced using polymeric nanorods (nano-PPX) inspired from nature. Natural inspiration ignited this research by observing butterfly wings, water strider legs, rye grass leaves, and their asymmetric functions. Nano-PPX rods, manufactured by an oblique angle polymerization (OAP) method, are asymmetrically aligned structures that have unidirectional wetting properties. Nano-PPX demonstrates similar functions to the directional textured surfaces of animals and plants in terms of wetting, adhesion, and transport. The water pin-release mechanism on the asymmetric nano-PPX surface with adhesion function provides a great transport property. How the asymmetry causes transport is discussed in terms of hysteresis and interface contact of water droplets. In this study, the transport property of nano-PPX rods is used to guide droplets as well as transporting cargo such as microgels. With the addition of tracks on the nano-PPX rods, the surfaces were transformed into basic digital fluidics devices. The track-assisted nano-PPX has been employed to applications (i.e. sorting, mixing, and carrying cargo particles). Thus, digital fluidics devices fabricated on nano-PPX surface is a promising pathway to assemble microgels in the field of bioengineering. The characterization of the nano textured surface was completed using methods such as Scanning Electron Microscopy, Atomic Force Microscopy, Contact Angle Goniometry, and Fourier Transform Infra-Red Spectroscopy. These methods helped to understand the physical and chemical properties of nano-PPX. Parameters such as advancing and receding contact angles, nanorod tilt angle, and critical drop volumes were utilized to investigate the anisotropic wetting properties of nano-PPX surface. This investigation explained the directional wetting behavior of the surface as well as approaching new design parameters for adjusting surface properties. The nanorod tilt angle was a key parameter

  7. A comparison of reflectance properties on polymer micro-structured functional surface

    DEFF Research Database (Denmark)

    Regi, Francesco; Li, Dongya; Nielsen, Jannik Boll

    In this study, a functional micro-structure surface [1] has been developed as a combination of arrays of micro ridges. The scope of the surface is to achieve specific directional optical properties: that is, under constrained lighting, maximizing the reflectance from a certain viewing direction, ...

  8. Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

    International Nuclear Information System (INIS)

    Pei Xianqiang; Li Yan; Wang Qihua; Sun Xiaojun

    2009-01-01

    To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to 'carpet-like' structure after irradiation

  9. Surface properties correlate to the digestibility of hydrothermally pretreated lignocellulosic Poaceae biomass feedstocks

    DEFF Research Database (Denmark)

    Tristan Djajadi, Demi; Hansen, Aleksander R.; Jensen, Anders

    2017-01-01

    physical and chemical features of the biomass surfaces, specifically contact angle measurements (wettability) and attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy (surfacebiopolymer composition) produced data correlating pretreatment severity and enzymatic digestibility......, and they also revealed differences that correlated to enzymatic glucose yield responses among the three different biomass types. Conclusion: The study revealed that to a large extent, factors related to physico-chemical surface properties, namely surface wettability as assessed by contact angle measurements...

  10. Investigations of surface related electronic properties in SmB6 and LaAlO3/SrTiO3 heterostructures

    Science.gov (United States)

    Adhikari, Sanjay

    This dissertation reports research performed on two types of two-dimensional. systems: SmB6 and LaAlO3/SrTiO3 (LAO/STO). SmB6 has been proposed to be. a topological Kondo insulator at low temperature. In order to understand carriers/. lattice dynamics and their interactions, femtosecond pump-probe spectroscopy. is performed in SmB6 single crystals and thin lms at variable temperatures. The. collective oscillation modes in GHz - THz and the change of carrier relaxations is. observed as a function of temperature. From the temperature dependent results. f 􀀀?d hybridization, opening of the hybridization gap, phonon bottleneck", and th. possible topological surface state formation is revealed. The topological surface state. should support helical Dirac dispersion with momentum-spin lockage. This dissertation. reports on current injection in SmB6 thin lm with circularly polarized light. at oblique incidence. This spin polarized photocurrent is concluded to be a direct. result of spin momentum lockage in SmB6. LAO/STO interface shows 2-dimensional electron gas (2DEG) at the interface. when the thickness of LAO is more than 3 unit cell. Carrier properties at the. LAO/STO interfaces are highly sensitive to the top surface termination of LAO. The spontaneous dissociation of water on LAO surface is systematically studied by. density functional theory and experimental surface characterizations. Extrinsic effects. from surface adsorbates were often ignored in the previous studies of the 2DEG. From the experiments, it is found that the dissociated water molecules, especially the. surface protons, strongly aect the interface density of states, electron distributions. and lattice distortions. The investigations also reveal the importance of additional. molecular water layers. These additional water layers, through hydrogen bonds, provide. an energetically feasible pathway for manipulating the surface-bonded protons. and thus, the interface electrical characteristics.

  11. A new approach to the retrieval of surface properties from earthshine measurements

    Energy Technology Data Exchange (ETDEWEB)

    Spurr, R.J.D. E-mail: rspurr@cfa.harvard.edu

    2004-01-01

    Instruments such as the MODIS and MISR radiometers on EOS AM-1, and POLDER on ADEOS have been deployed for the remote sensing retrieval of surface properties. Typically, retrieval algorithms use linear combinations of semi-empirical bidirectional reflectance distribution function (BRDF) kernels to model surface reflectance. The retrieval proceeds in two steps; first, an atmospheric correction relates surface BRDF to top-of-atmosphere (TOA) reflectances, then regression is used to establish the linear coefficients used in the kernel combination. BRDF kernels may also depend on a number of physical or empirical non-linear parameters (e.g. ocean wind speed for a specular BRDF); such parameters are usually assumed known. A major source of error in this retrieval comes from lack of knowledge of planetary boundary layer (PBL) aerosol properties. In this paper, we present a different approach to surface property retrieval. For the radiative transfer simulations, we use the discrete ordinate LIDORT model, which has the capability to generate simultaneous fields of radiances and weighting functions in a multiply scattering multi-layer atmosphere. Surface-atmosphere coupling due to multiple scattering and reflection effects is treated in full; the use of an atmospheric correction is not required. Further, it is shown that sensitivities of TOA reflectances to both linear and non-linear surface BRDF parameters may be established directly by explicit analytic differentiation of the discrete ordinate radiative transfer equations. Surface properties may thus be retrieved directly and conveniently from satellite measurements using standard non-linear fitting methods. In the fitting for BRDF parameters, lower-boundary aerosol properties can either be retrieved as auxiliary parameters, or they can be regarded as forward model parameter errors. We present examples of simulated radiances and surface/aerosol weighting functions for combinations of multi-angle measurements at several

  12. A new approach to the retrieval of surface properties from earthshine measurements

    International Nuclear Information System (INIS)

    Spurr, R.J.D.

    2004-01-01

    Instruments such as the MODIS and MISR radiometers on EOS AM-1, and POLDER on ADEOS have been deployed for the remote sensing retrieval of surface properties. Typically, retrieval algorithms use linear combinations of semi-empirical bidirectional reflectance distribution function (BRDF) kernels to model surface reflectance. The retrieval proceeds in two steps; first, an atmospheric correction relates surface BRDF to top-of-atmosphere (TOA) reflectances, then regression is used to establish the linear coefficients used in the kernel combination. BRDF kernels may also depend on a number of physical or empirical non-linear parameters (e.g. ocean wind speed for a specular BRDF); such parameters are usually assumed known. A major source of error in this retrieval comes from lack of knowledge of planetary boundary layer (PBL) aerosol properties. In this paper, we present a different approach to surface property retrieval. For the radiative transfer simulations, we use the discrete ordinate LIDORT model, which has the capability to generate simultaneous fields of radiances and weighting functions in a multiply scattering multi-layer atmosphere. Surface-atmosphere coupling due to multiple scattering and reflection effects is treated in full; the use of an atmospheric correction is not required. Further, it is shown that sensitivities of TOA reflectances to both linear and non-linear surface BRDF parameters may be established directly by explicit analytic differentiation of the discrete ordinate radiative transfer equations. Surface properties may thus be retrieved directly and conveniently from satellite measurements using standard non-linear fitting methods. In the fitting for BRDF parameters, lower-boundary aerosol properties can either be retrieved as auxiliary parameters, or they can be regarded as forward model parameter errors. We present examples of simulated radiances and surface/aerosol weighting functions for combinations of multi-angle measurements at several

  13. A Method to Simulate the Observed Surface Properties of Proton Irradiated Silicon Strip Sensors

    CERN Document Server

    Peltola, Timo Hannu Tapani

    2014-01-01

    A defect model of Synopsys Sentaurus TCAD simulation package for the bulk properties of proton irradiated devices has been producing simulations closely matching to measurements of silicon strip detectors. However, the model does not provide the expected behavior due to the fluence increased surface damage. The solution requires an approach that does not affect the accurate bulk properties produced by the proton model, but only adds to it the required radiation induced properties close to the surface. These include the observed position dependency of the strip detector's...

  14. Role of molecular properties of ulvans on their ability to elaborate antiadhesive surfaces.

    Science.gov (United States)

    Gadenne, Virginie; Lebrun, Laurent; Jouenne, Thierry; Thebault, Pascal

    2015-03-01

    Antiadhesive properties of polysaccharides (such ulvans) once immobilized on a surface are described in the literature but the parameters governing their antifouling properties are not yet well identified. In the present study, the relationship between molecular parameters of ulvans and the inhibition of bacterial adhesion was investigated. To this aim, various ulvans were grafted on silicon wafers under two different experimental immobilization conditions. Results showed that the experimental immobilization conditions and the polysaccharides molecular weight led to specific layer conformations which exhibited a key role in the surface antiadhesive properties. © 2014 Wiley Periodicals, Inc.

  15. Modifying zirconia solid electrolyte surface property to enhance oxide transport

    Energy Technology Data Exchange (ETDEWEB)

    Liaw, B.Y.; Song, S.Y. [Univ. of Hawaii, Honolulu, HI (United States)

    1996-12-31

    Bismuth-strontium-calcium-copper oxide (Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}, BSCCO) is known for its high T{sub c} superconducting behavior and mixed conducting property. The applicability of similar high T{sub c} cuprates for intermediate-temperature solid oxide fuel cell (SOFC) application has been studied recently. We investigated the electrochemical behavior of several Ag{vert_bar}BSCCO{vert_bar}10 mol% yttria-stabilized zirconia (YSZ){vert_bar}Ag and Ag{vert_bar}YSZ{vert_bar}Ag cells using complex impedance spectroscopy. A highly uniform and porous microstructure was observed at the interface of the YSZ and BSCCO. The ionic conductivity determined from the Nyquest plots in the temperature range of 200-700{degrees}C agrees with the values reported in the literature. The specific resistance of the BSCCO{vert_bar}YSZ interface was also determined to be lower than those of the conventional manganite electrode, suggesting that BSCCO seems attractive for cathode applications in SOFC.

  16. Microstructure evolution and tribological properties of acrylonitrile-butadiene rubber surface modified by atmospheric plasma treatment

    Science.gov (United States)

    Shen, Ming-xue; Zhang, Zhao-xiang; Peng, Xu-dong; Lin, Xiu-zhou

    2017-09-01

    For the purpose of prolonging the service life for rubber sealing elements, the frictional behavior of acrylonitrile-butadiene rubber (NBR) surface by dielectric barrier discharge plasma treatments was investigated in this paper. Surface microstructure and chemical composition were measured by atomic force microscopy, field-emission scanning electron microscopy, and X-ray photoelectron spectroscopy, respectively. Water contact angles of the modified rubber surface were also measured to evaluate the correlation between surface wettability and tribological properties. The results show that plasma treatments can improve the properties of the NBR against friction and wear effectively, the surface microstructure and roughness of plasma-modified NBR surface had an important influence on the surface tribological behavior, and the wear depth first decreased and then increased along with the change of plasma treatment time. It was found that the wettability of the modified surface was gradually improved, which was mainly due to the change of the chemical composition after the treatment. This study suggests that the plasma treatment could effectively improve the tribological properties of the NBR surface, and also provides information for developing wear-resistant NBR for industrial applications.

  17. Effects of surface properties on droplet formation inside a microfluidic device

    Science.gov (United States)

    Steinhaus, Ben; Shen, Amy

    2004-11-01

    Micro-fluidic devices offer a unique method of creating and controlling droplets on small length scales. A microfluidic device is used to study the effects of surface properties on droplet formation of a 2-phase flow system. Four phase diagrams are generated to compare the dynamics of the 2 immiscible fluid system (silicone oil and water) inside microchannels with different surface properties. Results show that the channel surface plays an important role in determining the flow patterns and the droplet formation of the 2-phase fluid system.

  18. Effect of electropulsing on surface mechanical properties and microstructure of AISI 304 stainless steel during ultrasonic surface rolling process

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Haibo [Advanced Materials Institute, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Key Laboratory of Advanced Materials, Tsinghua University, Beijing 100084 (China); Song, Guolin [Advanced Materials Institute, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Tang, Guoyi, E-mail: tanggy@mail.tsinghua.edu.cn [Advanced Materials Institute, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Key Laboratory of Advanced Materials, Tsinghua University, Beijing 100084 (China)

    2016-04-26

    The present work integrates 3D digital optical microscopy (OM), nano-indentation, X-ray diffraction (XRD), scanning electron microscopy (SEM) with electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM) to systematically investigate the effect of electropulsing on the surface mechanical properties and microstructure of AISI 304 stainless steel during the ultrasonic surface rolling process (USRP). Compared with the original USRP, the introduction of electropulsing with optimal parameters can effectively facilitate surface crack healing and improve surface hardness and wear resistance dramatically, and the residual compressive stress is further enhanced. Meanwhile, more martensite phase and fewer deformation twins can be found in the strengthened layer. Rapid improvement of the surface mechanical properties should be attributed to the ultra-refined grains, accelerated martensitic phase transformation and suppressed deformation twining induced by the coupling effect of USRP and electropulsing. The high strain rate given by USRP, increased stacking fault energy and accelerated dislocation mobility caused by electropulsing are likely the primary intrinsic reasons for the observed phenomena.

  19. Surface fractal dimensions and textural properties of mesoporous alkaline-earth hydroxyapatites

    International Nuclear Information System (INIS)

    Vilchis-Granados, J.; Granados-Correa, F.; Barrera-Díaz, C.E.

    2013-01-01

    This work examines the surface fractal dimensions (D f ) and textural properties of three different alkaline-earth hydroxyapatites. Calcium, strontium and barium hydroxyapatite compounds were successfully synthesized via chemical precipitation method and characterized using X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectrometry, Fourier transform infrared spectroscopy, and N 2 -physisorption measurements. Surface fractal dimensions were determined using single N 2 -adsorption/desorption isotherms method to quantify the irregular surface of as-prepared compounds. The obtained materials were also characterized through their surface hydroxyl group content, determined by the mass titration method. It was found that the D f values for the three materials covered the range of 0.77 ± 0.04–2.33 ± 0.11; these results indicated that the materials tend to have smooth surfaces, except the irregular surface of barium hydroxyapatite. Moreover, regarding the synthesized calcium hydroxyapatite exhibited better textural properties compared with the synthesized strontium and barium hydroxyapatites for adsorbent purposes. However, barium hydroxyapatite shows irregular surface, indicating a high population of active sites across the surface, in comparison with the others studied hydroxyapatites. Finally, the results showed a linear correlation between the surface hydroxyl group content at the external surface of materials and their surface fractal dimensions.

  20. Synthesis and surface properties of submicron barium sulfate particles

    International Nuclear Information System (INIS)

    Zhang Ming; Zhang Bao; Li Xinhai; Yin Zhoulan; Guo Xueyi

    2011-01-01

    Barium sulfate particles were synthesized in the presence of EDTA at room temperature. X-ray diffractometry (XRD), Fourier transform infrared resonance (FTIR) and scanning electron microscopy (SEM) were used to characterize the structure and morphology of BaSO 4 particles. The effect of the preparation parameters on the particle size distribution and morphology was investigated. The conditional formation constants of Ba-EDTA at different pH values were calculated. The results show that the size and morphology of BaSO 4 particles can be effectively controlled by adding EDTA in the precipitation process. Among all the operation conditions, the pH value has significant effect on the particle size. The obtained barium sulfate particles are spherical and well dispersed at pH = 9-10. Zeta potentials of BaSO 4 were measured at different pH. The isoelectric point (IEP) of barium sulfate colloid appears at pH 6.92. The model of the solid-solution interface at a particle of BaSO 4 was presented. The FTIR result indicates that the surface of the prepared BaSO 4 absorbs the functional groups of EDTA, which lower the IEP of the barium sulfate particles.

  1. Synthesis and surface properties of submicron barium sulfate particles

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Ming, E-mail: csu.light@yahoo.com.cn [College of Chemistry and Chemical Engineering, Zhaoqing University, Zhaoqing 526061 (China); School of Chemistry and Chemical Engineering, Central South University, Changsha 410083 (China); Zhang Bao; Li Xinhai [School of Metallurgical Science and Engineering, Central South University, Changsha 410083 (China); Yin Zhoulan [School of Chemistry and Chemical Engineering, Central South University, Changsha 410083 (China); Guo Xueyi [School of Metallurgical Science and Engineering, Central South University, Changsha 410083 (China)

    2011-10-15

    Barium sulfate particles were synthesized in the presence of EDTA at room temperature. X-ray diffractometry (XRD), Fourier transform infrared resonance (FTIR) and scanning electron microscopy (SEM) were used to characterize the structure and morphology of BaSO{sub 4} particles. The effect of the preparation parameters on the particle size distribution and morphology was investigated. The conditional formation constants of Ba-EDTA at different pH values were calculated. The results show that the size and morphology of BaSO{sub 4} particles can be effectively controlled by adding EDTA in the precipitation process. Among all the operation conditions, the pH value has significant effect on the particle size. The obtained barium sulfate particles are spherical and well dispersed at pH = 9-10. Zeta potentials of BaSO{sub 4} were measured at different pH. The isoelectric point (IEP) of barium sulfate colloid appears at pH 6.92. The model of the solid-solution interface at a particle of BaSO{sub 4} was presented. The FTIR result indicates that the surface of the prepared BaSO{sub 4} absorbs the functional groups of EDTA, which lower the IEP of the barium sulfate particles.

  2. Surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy

    Science.gov (United States)

    Yang, Yan; Feng, Zhong-Ying; Zhang, Jian-Min

    2018-05-01

    The spin-polarized first-principles are used to study the surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy, and the bulk Zr2CoSn Heusler alloy are also discussed to make comparison. The conduction band minimum (CBM) of half-metallic (HM) bulk Zr2CoSn alloy is contributed by ZrA, ZrB and Co atoms, while the valence band maximum (VBM) is contributed by ZrB and Co atoms. The SnSn termination is the most stable surface with the highest spin polarizations P = 77.1% among the CoCo, ZrCo, ZrZr, ZrSn and SnSn terminations of the Zr2CoSn (001) surface. In the SnSn termination of the Zr2CoSn (001) surface, the atomic partial density of states (APDOS) of atoms in the surface, subsurface and third layers are much influenced by the surface effect and the total magnetic moment (TMM) is mainly contributed by the atomic magnetic moments of atoms in fourth to ninth layers.

  3. Surface properties and corrosion behavior of Co-Cr alloy fabricated with selective laser melting technique.

    Science.gov (United States)

    Xin, Xian-zhen; Chen, Jie; Xiang, Nan; Wei, Bin

    2013-01-01

    We sought to study the corrosion behavior and surface properties of a commercial cobalt-chromium (Co-Cr) alloy which was fabricated with selective laser melting (SLM) technique. For this purpose, specimens were fabricated using different techniques, such as SLM system and casting methods. Surface hardness testing, microstructure observation, surface analysis using X-ray photoelectron spectroscopy (XPS) and electrochemical corrosion test were carried out to evaluate the corrosion properties and surface properties of the specimens. We found that microstructure of SLM specimens was more homogeneous than that of cast specimens. The mean surface hardness values of SLM and cast specimens were 458.3 and 384.8, respectively; SLM specimens showed higher values than cast ones in hardness. Both specimens exhibited no differences in their electrochemical corrosion properties in the artificial saliva through potentiodynamic curves and EIS, and no significant difference via XPS. Therefore, we concluded that within the scope of this study, SLM-fabricated restorations revealed good surface properties, such as proper hardness, homogeneous microstructure, and also showed sufficient corrosion resistance which could meet the needs of dental clinics.

  4. Energetic cost of communication.

    Science.gov (United States)

    Stoddard, Philip K; Salazar, Vielka L

    2011-01-15

    Communication signals may be energetically expensive or inexpensive to produce, depending on the function of the signal and the competitive nature of the communication system. Males of sexually selected species may produce high-energy advertisement signals, both to enhance detectability and to signal their size and body condition. Accordingly, the proportion of the energy budget allocated to signal production ranges from almost nothing for many signals to somewhere in excess of 50% for acoustic signals in short-lived sexually selected species. Recent data from gymnotiform electric fish reveal mechanisms that regulate energy allocated to sexual advertisement signals through dynamical remodeling of the excitable membranes in the electric organ. Further, males of the short-lived sexually selected species, Brachyhypopomus gauderio, trade off among different metabolic compartments, allocating energy to signal production while reducing energy used in other metabolic functions. Female B. gauderio, by contrast, do not trade off energy between signaling and other functions. To fuel energetically expensive signal production, we expect a continuum of strategies to be adopted by animals of different life history strategies. Future studies should explore the relation between life history and energy allocation trade-offs.

  5. Surface modification and antimicrobial properties of cellulose nanocrystals

    Science.gov (United States)

    Bespalova, Yulia A.

    Surface modification of cellulose nanocrystals (CNC) was performed by acetylation and subsequent reaction with various tertiary amines with different lengths of alkyl groups. Chloroacetic anhydride (95%) was used for acetylation. The acetylation of CNC was confirmed using IR spectroscopy. The bands associated with C=0 stretching (1740 cm-1) and C-Cl stretching (793 cm -1) was present in the acetylated CNC but they were absent in the neat CNC. It has been suggested that the primary hydroxyl groups of CNC are substituted by chloro acetyl groups during acetylation reaction. Subsequent reaction of chloro acetylated CNC with N, N - Dimethyl ethylamine, N, N - Dimethyl hexylamine, N, N - Dimethyl dodecylamine, N, N - Dimethyl hexadecylamine and N, N - Dimethyl decylamine formed quaternary ammonium salts. These quaternary ammonium salts were characterized by FTIR and solid state13C NMR spectroscopy. FTIR spectra of five types of quaternary ammonium salts of CNC are similar and they showed infrared bands at 2905 -1 and 2850 cm-1, attributed to symmetrical and unsymmetrical C-H stretching vibration. The absence of C-Cl band at 793 cm-1 proves that quaternary salt formation was successful. The 13C NMR spectrum of quaternary ammonium modified CNC with N, N - Dimethyl dodecylamine shows several additional resonances ranging from 14.5 ppm to 58.0 ppm when compared to 13C NMR spectrum of pure CNC. This evidence proves that long alkyl chains have been added to the pure CNC. The disc diffusion method confirmed that quaternary ammonium modified CNCs with a chain longer than ten carbons are effective antimicrobial agents against Staphylococcus aureus and E. coli bacteria. Pure CNC and quaternary ammonium modified CNCs with an alkyl chain length of ten or less were not able to inhibit bacteria growth.

  6. Energetics Manufacturing Technology Center (EMTC)

    Data.gov (United States)

    Federal Laboratory Consortium — The Energetics Manufacturing Technology Center (EMTC), established in 1994 by the Office of Naval Research (ONR) Manufacturing Technology (ManTech) Program, is Navy...

  7. Energetic Particles Dynamics in Mercury's Magnetosphere

    Science.gov (United States)

    Walsh, Brian M.; Ryou, A.S.; Sibeck, D. G.; Alexeev, I. I.

    2013-01-01

    We investigate the drift paths of energetic particles in Mercury's magnetosphere by tracing their motion through a model magnetic field. Test particle simulations solving the full Lorentz force show a quasi-trapped energetic particle population that gradient and curvature drift around the planet via "Shabansky" orbits, passing though high latitudes in the compressed dayside by equatorial latitudes on the nightside. Due to their large gyroradii, energetic H+ and Na+ ions will typically collide with the planet or the magnetopause and will not be able to complete a full drift orbit. These simulations provide direct comparison for recent spacecraft measurements from MESSENGER. Mercury's offset dipole results in an asymmetric loss cone and therefore an asymmetry in particle precipitation with more particles precipitating in the southern hemisphere. Since the planet lacks an atmosphere, precipitating particles will collide directly with the surface of the planet. The incident charged particles can kick up neutrals from the surface and have implications for the formation of the exosphere and weathering of the surface

  8. Effect of Surface Densification on the Microstructure and Mechanical Properties of Powder Metallurgical Gears by Using a Surface Rolling Process

    Directory of Open Access Journals (Sweden)

    Jingguang Peng

    2016-10-01

    Full Text Available Powder metallurgy (PM components are widely used in the auto industry due to the advantage of net-shape forming, low cost, and high efficiency. Still, usage of PM components is limited in the auto industry when encountering rigorous situations, like heavy load, due to lower strength, hardness, wear resistance, and other properties compared to wrought components due to the existence of massive pores in the PM components. In this study, through combining the powder metallurgy process and rolling process, the pores in the PM components were decreased and a homogenous densified layer was formed on the surface, which resulted in the enhancement of the strength, hardness, wear resistance, and other properties, which can expand its range of application. In this paper, we study the impact of different rolling feeds on the performance of the components’ surfaces. We found that with the increase of the rolling feed, the depth of the densified layer increased.

  9. The influence of surface functionalisation on the electrical properties and thermal stability of nanodiamonds

    Energy Technology Data Exchange (ETDEWEB)

    Welch, Joseph O; Li, Pei; Chaudhary, Aysha; Edgington, Robert; Jackman, Richard B., E-mail: r.jackman@ucl.ac.uk [London Centre for Nanotechnology and the Department of Electronic and Electrical Engineering, University College London, 17-19 Gordon Street, London WC1H 0AH (United Kingdom)

    2014-10-07

    Detonation nanodiamond (ND) has recently emerged as a useful new class of diamond material. However, to date there has been little investigation of the electrical properties of this material. Due to the nanoscale dimensions, the surface functionalisation of the individual ND is of particular importance to the characteristics of ND films. Here, hydrogen and oxygen termination of ND, verified using Fourier transform infrared spectroscopy, are shown to strongly influence the electronic properties of NDs. Hydrogen terminated ND exhibiting a far greater resilience to thermal decomposition when compared to the oxygen terminated NDs. Moreover, H-NDs also displayed so-called “surface conductivity,” a property displayed by hydrogen-terminated bulk diamond films, whilst O-NDs display properties high resistivity. These results indicate that under the correct conditions ND layers can display similar electrical properties to “bulk” diamond thin films.

  10. Effects of high-temperature gas dealkalization on surface mechanical properties of float glass

    Science.gov (United States)

    Senturk, Ufuk

    The surface topography, and the near-surface structure and mechanical property changes on float glass, that was treated in atmospheres containing SOsb2, HCl, and 1,1 difluoroethane (DFE) gases, at temperatures in the glass transition region, were studied. Structure was investigated using surface sensitive infrared spectroscopy techniques (attenuated total reflectance (ATR) and diffuse reflectance (DRIFT)) and the topography was evaluated using atomic force microscopy (AFM). The results obtained from the two FTIR methods were in agreement with each other. Mechanical property characteristics of the surface were determined by measuring microhardness using a recording microindentation set-up. A simple analysis performed on the three hardness calculation methods-LVH, LVHsb2, and Lsb2VH-indicated that LVH and LVHsb2 are less effected by measurement errors and are better suited for the calculation of hardness. Contact damage characteristics of the treated glass was also studied by monitoring the crack initiation behavior during indentation, using acoustic emission. The results of the studies, aiming for the understanding of the structure, topography, and hardness property changes indicate that the treatment parameters-temperature, time, and treatment atmosphere conditions-are significant factors influencing these properties. The analysis of these results suggest a relation to exist between the three properties. This relation is used in understanding the surface mechanical properties of the treated float glasses. The difference in the thermal expansion coefficients between the dealkalized surface and bulk, the nature of surface structure changes, structural relaxation, surface water content, and glass transformation temperature are identified as the major factors having an influence on the properties. A model connecting these features is suggested. A difference in the structure, hardness, and topography on the air and tin sides of float glass is also shown to exist. The

  11. Improvement of Surface Properties of CP-Titanium by Thermo-Chemical Treatment (TCT) Process

    International Nuclear Information System (INIS)

    Jeong, Hyeon-Gyeong; Hur, Bo-Young; Lee, Dong-Geun; Lee, Yong-Tai; Yaskiv, O.

    2011-01-01

    The thermo-chemical treatment (TCT) process was applied to achieve surface hardening of CP titanium. The following three different surface modification conditions were tested so that the best surface hardening process could be selected:(a) PVD, (b) TCT+PVD, and (c) TCT+Aging+PVD. These specimens were tested and analyzed in terms of surface roughness, wear, friction coefficient, and the gradient of hardening from the surface of the matrix. The three test conditions were all beneficial to improve the surface hardness of CP titanium. Moreover, the TCT treated specimens, that is, (b) and (c), showed significantly improved surface hardness and low friction coefficients through the thickness up to 100um. This is due to the functionally gradient hardened surface improvement by the diffused interstitial elements. The hardened surface also showed improvement in bonding between the PVD and TCT surface, and this leads to improvement in wear resistance. However, TCT after aging treatment did not show much improvement in surface properties compared to TCT only. For the best surface hardening on CP titanium, TCT+PVD has advantages in surface durability and economics.

  12. Experimental study on surface properties of the PMMA used in high power spark gaps

    Science.gov (United States)

    Han, Ruoyu; Wu, Jiawei; Ding, Weidong; Liu, Yunfei; Gou, Yang

    2017-10-01

    This paper studies the surface properties of the Polymethylmethacrylate (PMMA) insulator samples used in high power spark gaps. Experiments on surface morphology, surface profile, surface chemical composition and surface leakage current were performed. Metal particles ejected in tangent direction of discharge spots were researched on the sample surface. Three kinds of distinct bands were found on the surface after 1500 shots: colorless and transparent sinking band, black band, and grey powdered coating band. The thickness of the coating band was tens of microns and the maximum radial erosion rate was about 10 μm/C. Surface content analysis indicated that the powdered coating was a mixture of decomposed insulator material and electrode material oxides. In addition, leakage current significantly depended on water content in the chamber and presented an U-shape curve distribution along the insulator surface, in keeping with the amount of powdered coating due to shock waves. Possible reasons of the surface property changes were discussed. Electroconductive oxides of low valence states of Cu and W produced by the reactions between electrode materials and arc plasmas were considered to be the cause of dielectric performance degradation.

  13. Design, development and applications of novel techniques for studying surface mechanical properties

    Science.gov (United States)

    Miyoshi, Kazuhisa

    1989-01-01

    Research is reviewed for the adhesion, friction, and micromechanical properties of materials and examples of the results presented. The ceramic and metallic materials studied include silicon carbide, aluminum oxide, and iron-base amorphous alloys. The design and operation of a torsion balance adapted for study of adhesion from the Cavendish balance are discussed first. The pull-off force (adhesion) and shear force (friction) required to break the interfacial junctions between contacting surfaces of the materials were examined at various temperatures in a vacuum. The surface chemistry of the materials was analyzed by X-ray photoelectron spectroscopy. Properties and environmental conditions of the surface regions which affect adhesion and friction-such as surface segregation, composition, crystal structure, surface chemistry, and temperature were also studied.

  14. Influence of viscoelastic property on laser-generated surface acoustic waves in coating-substrate systems

    International Nuclear Information System (INIS)

    Sun Hongxiang; Zhang Shuyi; Xu Baiqiang

    2011-01-01

    Taking account of the viscoelasticity of materials, the pulsed laser generation of surface acoustic waves in coating-substrate systems has been investigated quantitatively by using the finite element method. The displacement spectra of the surface acoustic waves have been calculated in frequency domain for different coating-substrate systems, in which the viscoelastic properties of the coatings and substrates are considered separately. Meanwhile, the temporal displacement waveforms have been obtained by applying inverse fast Fourier transforms. The numerical results of the normal surface displacements are presented for different configurations: a single plate, a slow coating on a fast substrate, and a fast coating on a slow substrate. The influences of the viscoelastic properties of the coating and the substrate on the attenuation of the surface acoustic waves have been studied. In addition, the influence of the coating thickness on the attenuation of the surface acoustic waves has been also investigated in detail.

  15. Surface transport properties of Fe-based superconductors: The influence of degradation and inhomogeneity

    Energy Technology Data Exchange (ETDEWEB)

    Plecenik, T.; Gregor, M.; Sobota, R.; Truchly, M.; Satrapinskyy, L.; Kus, P.; Plecenik, A. [Department of Experimental Physics, FMPI, Comenius University, 842 48 Bratislava (Slovakia); Kurth, F.; Holzapfel, B.; Iida, K. [Institute for Metallic Materials, IFW Dresden, P. O. Box 270116, D-01171 Dresden (Germany)

    2013-07-29

    Surface properties of Co-doped BaFe{sub 2}As{sub 2} epitaxial superconducting thin films were inspected by X-ray photoelectron spectroscopy, scanning spreading resistance microscopy (SSRM), and point contact spectroscopy (PCS). It has been shown that surface of Fe-based superconductors degrades rapidly if being exposed to air, what results in suppression of gap-like structure on PCS spectra. Moreover, SSRM measurements revealed inhomogeneous surface conductivity, what is consistent with strong dependence of PCS spectra on contact position. Presented results suggest that fresh surface and small probing area should be assured for surface sensitive measurements like PCS to obtain intrinsic properties of Fe-based superconductors.

  16. The effect of polyether functional polydimethylsiloxane on surface and thermal properties of waterborne polyurethane

    Science.gov (United States)

    Zheng, Guikai; Lu, Ming; Rui, Xiaoping

    2017-03-01

    Waterborne polyurethanes (WPU) modified with polyether functional polydimethylsiloxane (PDMS) were synthesized by pre-polymerization method using isophorone diisocyanate (IPDI) and 1,4-butanediol (BDO) as hard segments and polybutylene adipate glycol (PBA) and polyether functional PDMS as soft segments. The effect of polyether functional PDMS on phase separation, thermal properties, surface properties including surface composition, morphology and wettability were investigated by FTIR, contact angle measurements, ARXPS, SEM-EDS, AFM, TG and DSC. The results showed that the compatibility between urethane hard segment and PDMS modified with polyether was good, and there was no distinct phase separation in both bulk and surface of WPU films. The degradation temperature and low temperature flexibility increased with increasing amounts of polyether functional PDMS. The enrichment of polyether functional PDMS with low surface energy on the surface imparted excellent hydrophobicity to WPU films.

  17. Plasma surface modification of polypropylene track-etched membrane to improve its performance properties

    Science.gov (United States)

    Kravets, L. I.; Elinson, V. M.; Ibragimov, R. G.; Mitu, B.; Dinescu, G.

    2018-02-01

    The surface and electrochemical properties of polypropylene track-etched membrane treated by plasma of nitrogen, air and oxygen are studied. The effect of the plasma-forming gas composition on the surface morphology is considered. It has been found that the micro-relief of the membrane surface formed under the gas-discharge etching, changes. Moreover, the effect of the non-polymerizing gas plasma leads to formation of oxygen-containing functional groups, mostly carbonyl and carboxyl. It is shown that due to the formation of polar groups on the surface and its higher roughness, the wettability of the plasma-modified membranes improves. In addition, the presence of polar groups on the membrane surface layer modifies its electrochemical properties so that conductivity of plasma-treated membranes increase.

  18. Effect of Build Angle on Surface Properties of Nickel Superalloys Processed by Selective Laser Melting

    Science.gov (United States)

    Covarrubias, Ernesto E.; Eshraghi, Mohsen

    2018-03-01

    Aerospace, automotive, and medical industries use selective laser melting (SLM) to produce complex parts through solidifying successive layers of powder. This additive manufacturing technique has many advantages, but one of the biggest challenges facing this process is the resulting surface quality of the as-built parts. The purpose of this research was to study the surface properties of Inconel 718 alloys fabricated by SLM. The effect of build angle on the surface properties of as-built parts was investigated. Two sets of sample geometries including cube and rectangular artifacts were considered in the study. It was found that, for angles between 15° and 75°, theoretical calculations based on the "stair-step" effect were consistent with the experimental results. Downskin surfaces showed higher average roughness values compared to the upskin surfaces. No significant difference was found between the average roughness values measured from cube and rectangular test artifacts.

  19. Inverse gas chromatography as a method for determination of surface properties of binding materials

    Science.gov (United States)

    Yu, Jihai; Lu, Xiaolei; Yang, Chunxia; Du, Baoli; Wang, Shuxian; Ye, Zhengmao

    2017-09-01

    Inverse gas chromatography (IGC) is a promising measurement technique for investigating the surface properties of binding materials, which are the major influence element for the adsorption performance of superplasticizer. In this work, using the IGC method, blast furnace slag (BFS), sulphoaluminate cement (SAC) and portland cement (P·O) are employed to systematically evaluate the corresponding dispersive component (γsd), specific surface free energy (γsab), and acid-base properties. The obtained results show that γsd contributes to a major section of the surface free energy in the three binding materials, suggesting they are of a relatively low polarity. Compared to the two kinds of cements, the BFS possesses the highest dispersive and specific surface free energies (the values are 45.01 mJ/m2 and 11.68 mJ/m2, respectively), and also exhibits a wider distribution range of γsd, indicating their surfaces are heterogeneous. For acid-base properties, the results indicate the surfaces of three samples are basic in nature. In addition, the adsorption investigation shows that per unit surface of BFS adsorbs the most superplasticizer molecules, which indicates the higher surface free energies is beneficial to the superplasticizer adsorption.

  20. Nanomechanical and nanotribological properties of plasma nanotextured superhydrophilic and superhydrophobic polymeric surfaces

    International Nuclear Information System (INIS)

    Skarmoutsou, A; Charitidis, C A; Gnanappa, A K; Tserepi, A; Gogolides, E

    2012-01-01

    Oxygen plasma-induced surface modification of polymethylmethacrylate (PMMA), under plasma conditions favouring (maximizing) roughness formation, has been shown to create textured surfaces of roughness size and morphology dependent on the plasma-treatment time and subsequent morphology stabilization procedure. Superhydrophobic or superhydrophilic surfaces can thus be obtained, with potential applications in antireflective self-cleaning surfaces, microfluidics, wetting–dewetting control, anti-icing etc, necessitating determination of their mechanical properties. In this study, nanoindentation is used to determine the reduced modulus and hardness of the surface, while nanoscratch tests are performed to measure the coefficient of friction. The data are combined to assess the wear behaviour of such surfaces as a first guide for their practical applications. Short-time plasma treatment slightly changes mechanical, tribological and wear properties compared to untreated PMMA. However, a significant decrease in the reduced modulus and hardness and an increase in the coefficient of friction are observed after long plasma-treatment times. The C 4 F 8 plasma deposited thin hydrophobic layer on the polymeric surfaces (untreated and treated) reveals good adhesion, while its mechanical properties are greatly influenced by the substrate; it is also found that it effectively protects the polymeric surfaces, reducing plastic deformation. (paper)

  1. Zwitterionic sulfobetaine polymer-immobilized surface by simple tyrosinase-mediated grafting for enhanced antifouling property.

    Science.gov (United States)

    Kwon, Ho Joon; Lee, Yunki; Phuong, Le Thi; Seon, Gyeung Mi; Kim, Eunsuk; Park, Jong Chul; Yoon, Hyunjin; Park, Ki Dong

    2017-10-01

    Introducing antifouling property to biomaterial surfaces has been considered an effective method for preventing the failure of implanted devices. In order to achieve this, the immobilization of zwitterions on biomaterial surfaces has been proven to be an excellent way of improving anti-adhesive potency. In this study, poly(sulfobetaine-co-tyramine), a tyramine-conjugated sulfobetaine polymer, was synthesized and simply grafted onto the surface of polyurethane via a tyrosinase-mediated reaction. Surface characterization by water contact angle measurements, X-ray photoelectron spectroscopy and atomic force microscopy demonstrated that the zwitterionic polymer was successfully introduced onto the surface of polyurethane and remained stable for 7days. In vitro studies revealed that poly(sulfobetaine-co-tyramine)-coated surfaces dramatically reduced the adhesion of fibrinogen, platelets, fibroblasts, and S. aureus by over 90% in comparison with bare surfaces. These results proved that polyurethane surfaces grafted with poly(sulfobetaine-co-tyramine) via a tyrosinase-catalyzed reaction could be promising candidates for an implantable medical device with excellent bioinert abilities. Antifouling surface modification is one of the key strategy to prevent the thrombus formation or infection which occurs on the surface of biomaterial after transplantation. Although there are many methods to modify the surface have been reported, necessity of simple modification technique still exists to apply for practical applications. The purpose of this study is to modify the biomaterial's surface by simply immobilizing antifouling zwitterion polymer via enzyme tyrosinase-mediated reaction which could modify versatile substrates in mild aqueous condition within fast time period. After modification, pSBTA grafted surface becomes resistant to various biological factors including proteins, cells, and bacterias. This approach appears to be a promising method to impart antifouling property on

  2. Multipulse nanosecond laser irradiation of silicon for the investigation of surface morphology and photoelectric properties

    Science.gov (United States)

    Sardar, Maryam; Chen, Jun; Ullah, Zaka; Jelani, Mohsan; Tabassum, Aasma; Cheng, Ju; Sun, Yuxiang; Lu, Jian

    2017-12-01

    We irradiate the single crystal boron-doped silicon (Si) with different number of laser pulses at constant fluence (7.5 J cm-2) in ambient air using Nd:YAG laser and examine its surface morphology and photoelectric properties in details. The results obtained from optical micrographs reveal the increase in heat affected zone (HAZ) and melted area of laser irradiated Si with increasing number of laser pulses. The SEM micrographs evidence the formation of various surface morphologies like laser induced periodic surface structures, crater, microcracks, clusters, cavities, pores, trapped bubbles, nucleation sites, micro-bumps, redeposited material and micro- and nano-particles on the surface of irradiated Si. The surface profilometry analysis informs that the depth of crater is increased with increase in number of incident laser pulses. The spectroscopic ellipsometry reveals that the multipulse irradiation of Si changes its optical properties (refractive index and extinction coefficient). The current-voltage (I-V) characteristic curves of laser irradiated Si show that although the multipulse laser irradiation produces considerable number of surface defects and damages, the electrical properties of Si are well sustained after the multipulse irradiation. The current findings suggest that the multipulse irradiation can be an effective way to tune the optical properties of Si for the fabrication of wide range of optoelectronic devices.

  3. Novel Method to Characterize and Model the Multiaxial Constitutive and Damage Response of Energetic Materials.

    Energy Technology Data Exchange (ETDEWEB)

    Kaneshige, Michael J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Rabbi, Md Fazle [Univ. of Texas, El Paso, TX (United States); Kaneshige, Michael J. [Univ. of Texas, El Paso, TX (United States); Mach, Robert [Univ. of Texas, El Paso, TX (United States); Catzin, Carlos A. [Univ. of Texas, El Paso, TX (United States); Stewart, Calvin M. [Univ. of Texas, El Paso, TX (United States)

    2017-12-01

    Simulant polymer bonded explosives are widely used to simulate the mechanical response of real energetic materials. In this paper, the fracture resistance of a simulant polymer bo nded explosive (PBX) is experimentally investigated. The simulant is composed of 80 wt.% soda lime glass beads (SLGB) and 20 wt.% high impact Polystyrene 825 (HIPS). Brazilian disk tests are performed to characterize the tensile and compressive properties. Fracture toughness and energy tests are performed in the semi - circular bending (SCB) configuration on 80, 81, 82, and 83 wt % SLGB compositions. Digital image correlation is performed to record the surface displacements and calculate surface strains during testing. The m icromechanical behavior of ductile and brittle fracture are evaluated using digital microscopy and scanning electron microscopy of the fracture surface. It is determined that (i) the manufacturing process produces a credible simulant of PBX properties, and (ii) the SCB test measures fracture resistance with a reasonable coefficient of variation.

  4. Effects of air dielectric barrier discharge plasma treatment time on surface properties of PBO fiber

    International Nuclear Information System (INIS)

    Wang Qian; Chen Ping; Jia Caixia; Chen, Mingxin; Li Bin

    2011-01-01

    In this paper, the effects of air dielectric barrier discharge (DBD) plasma treatment time on surface properties of poly(p-phenylene benzobisoxazole) (PBO) fiber were investigated. The surface characteristics of PBO fiber before and after the plasma treatments were analyzed by dynamic contact angle (DCA) analysis, scanning electron microscopy (SEM), atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS). DCA measurements indicated that the surface wettability of PBO fiber was improved significantly by increasing the fiber surface free energy via air DBD plasma treatments. The results were confirmed by the improvement of adhesion of a kind of thermoplastic resin to PBO fiber which was observed by SEM, showing that more resin was adhering evenly to the fiber surface. AFM measurement revealed that the surface topography of PBO fiber became more complicated and the surface roughness was greatly enhanced after the plasma treatments, and XPS analysis showed that some new polar groups (e.g. -O-C=O) were introduced on plasma treated PBO fiber surface. The results of this study also showed that the surface properties of PBO fiber changed with the elongation of plasma treatment time.

  5. Structural and electronic properties of low-index stoichiometric BiOI surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Wen-Wu; Zhao, Zong-Yan, E-mail: zzy@kmust.edu.cn

    2017-06-01

    As promising photocatalyst driven by visible-light, BiOI has attracted more and more attention in the past years. However, the surface structure and properties of BiOI that is the most important place for the photocatalytic have not been investigated in details. To this end, density functional theory was performed to calculate the structural and electronic properties of four low-index stoichiometric surfaces of BiOI. It is found that the relaxation of the low-index BiOI surfaces are relatively small, especially the (001) surface. Thus, the surface energies of BiOI are very relatively small. Moreover, there are a few surface states below the bottom of conduction band in the first layer except the (001) surface, which maybe capture the photo-excited carriers. In all of the most stable terminated planes, all the dangling bonds are cleaved from the broken Bi-O bonds. In the case of (001) surface, the dangling bond density of Bi atoms for the (001) surface is zero per square nano. Therefore, the (001) surface is thermodynamically lowest-energy surface of BiOI, and it is the predominant surface (51.4%). As a final remark, the dangling bonds density of bismuth atoms determines not only the surface energy, but also the surface relaxation. Finally, the equilibrium morphology of BiOI was also proposed and provided, which is determined through the Wulff construction. These results will help us to better understand the underlying photocatalytic mechanism that is related to BiOI surfaces, and provide theoretical support for some experimental studies about BiOI-based photocatalyst in future. - Highlights: • Four low-index BiOI surfaces have been calculated by DFT method. • The relaxations of the low-index BiOI surfaces are relatively small. • There are a few surface states below the bottom of conduction band in the first layer. • The dangling bonds density of bismuth atoms determines not only the surface energy, but also the surface relaxation. • The thermodynamic

  6. About Russian nuclear energetic perspectives

    International Nuclear Information System (INIS)

    Laletin, N.I.

    2003-01-01

    My particular view about Russian nuclear energetics perspectives is presented. The nearest and the further perspectives are considered. The arguments are adduced that the most probable scenario of nuclear energetic development is its stabilization in the near future. Fur further development the arguments of supporters and opponents of nuclear energetics are analyzed. Three points of view are considered. The first point of view that there is not alternative for nuclear energetics. My notes are the following ones. a) I express a skeptic opinion about a statement of quick exhaustion of fossil organic fuel recourses and corresponding estimations are presented. b) It is expressed skeptic opinion about the statement that nuclear energetics can have a visual influence on ''steam effect''. c) I agree that nuclear energetics is the most ecological technology for normal work but however we can't disregard possibilities of catastrophic accidents. The second point of view that the use of nuclear energetics can't have the justification. I adduce the arguments contrary to this statement. The third point of view that nuclear energetics is a usual technology and the only criteria for discussions about what dimension and where one ought develop it is total cost of its unit. Expressed an opinion that the deceived for the choose of a way the skill of the estimate correctly and optimized so named the external parts of the unit energy costs for different energy technologies. (author)

  7. Rural energetic development: cuban experience

    International Nuclear Information System (INIS)

    Aguilera Barciela, M.

    1994-01-01

    The development of electro energetic national system in Cuba has been directed to the following objectives: to brake the rural population's exodus toward the cities, electrification of dairy farm, interconnection to the system electro energetic of all the sugar central production, these improves the rural population's conditions life

  8. Economical aspects of nuclear energetics

    International Nuclear Information System (INIS)

    Celinski, Z.

    2000-01-01

    The economical aspects of nuclear power generation in respect to costs of conventional energetics have been discussed in detail. The costs and competitiveness of nuclear power have been considered on the base of worldwide trends taking into account investment and fuel costs as well as 'social' costs being result of impact of different types of energetics on environment, human health etc

  9. Simulation of an oil film at the sea surface and its radiometric properties in the SWIR

    Science.gov (United States)

    Schwenger, Frédéric; Van Eijk, Alexander M. J.

    2017-10-01

    The knowledge of the optical contrast of an oil layer on the sea under various surface roughness conditions is of great interest for oil slick monitoring techniques. This paper presents a 3D simulation of a dynamic sea surface contaminated by a floating oil film. The simulation considers the damping influence of oil on the ocean waves and its physical properties. It calculates the radiance contrast of the sea surface polluted by the oil film in relation to a clean sea surface for the SWIR spectral band. Our computer simulation combines the 3D simulation of a maritime scene (open clear sea/clear sky) with an oil film at the sea surface. The basic geometry of a clean sea surface is modeled by a composition of smooth wind driven gravity waves. Oil on the sea surface attenuates the capillary and short gravity waves modulating the wave power density spectrum of these waves. The radiance of the maritime scene is calculated in the SWIR spectral band with the emitted sea surface radiance and the specularly reflected sky radiance as components. Wave hiding and shadowing, especially occurring at low viewing angles, are considered. The specular reflection of the sky radiance at the clean sea surface is modeled by an analytical statistical bidirectional reflectance distribution function (BRDF) of the sea surface. For oil at the sea surface, a specific BRDF is used influenced by the reduced surface roughness, i.e., the modulated wave density spectrum. The radiance contrast of an oil film in relation to the clean sea surface is calculated for different viewing angles, wind speeds, and oil types characterized by their specific physical properties.

  10. Adhesion defective BHK cell mutant has cell surface heparan sulfate proteoglycan of altered properties

    DEFF Research Database (Denmark)

    Couchman, J R; Austria, R; Woods, A

    1988-01-01

    In the light of accumulating data that implicate cell surface heparan sulfate proteoglycans (HSPGs) with a role in cell interactions with extracellular matrix molecules such as fibronectin, we have compared the properties of these molecules in wild-type BHK cells and an adhesion-defective ricin......-resistant mutant (RicR14). Our results showed that the mutant, unlike BHK cells, cannot form focal adhesions when adherent to planar substrates in the presence of serum. Furthermore, while both cell lines possess similar amounts of cell surface HSPG with hydrophobic properties, that of RicR14 cells had decreased...... sulfation, reduced affinity for fibronectin and decreased half-life on the cell surface when compared to the normal counterpart. Our conclusions based on this data are that these altered properties may, in part, account for the adhesion defect in the ricin-resistant mutant. Whether this results from...

  11. Effect of preparation conditions on physicochemical, surface and catalytic properties of cobalt ferrite prepared by coprecipitation

    Energy Technology Data Exchange (ETDEWEB)

    El-Shobaky, G.A., E-mail: elshobaky@yahoo.co [Physical Chemistry Department, National Research Center, Dokki, Cairo (Egypt); Turky, A.M.; Mostafa, N.Y.; Mohamed, S.K. [Chemistry Department, Faculty of Science, Suez Canal University, Ismailia 41522 (Egypt)

    2010-03-18

    Cobalt ferrite nanoparticles were prepared via thermal treatment of cobalt-iron mixed hydroxides at 400-600 {sup o}C. The mixed hydroxides were coprecipitated from their nitrates solutions using NaOH as precipitating agent. The effects of pH and temperature of coprecipitation and calcination temperature on the physicochemical, surface and catalytic properties of the prepared ferrites were studied. The prepared systems were characterized using TG, DTG, DTA, chemical analysis, atomic absorption spectroscopy (AAS), X-ray diffraction (XRD), energy dispersive X-ray (EDX) as well as surface and texture properties based on nitrogen adsorption-desorption isotherms. The prepared cobalt ferrites were found to be mesoporous materials that have crystallite size ranges between 8 and 45 nm. The surface and catalytic properties of the produced ferrite phase were strongly dependent on coprecipitation conditions of the mixed hydroxides and on their calcination temperature.

  12. Influence of Surface Properties and Impact Conditions on Adhesion of Insect Residues

    Science.gov (United States)

    Wohl, Christopher J.; Smith, Joseph G.; Connell, John W.; Siochi, Emilie J.; Doss, Jereme R.; Shanahan, Michelle H.; Penner, Ronald K.

    2015-01-01

    Insect residues can cause premature transition to turbulent flow on laminar flow airfoils. Engineered surfaces that mitigate the adhesion of insect residues provide, therefore, a route to more efficient aerodynamics and reduced fuel burn rates. Areal coverage and heights of residues depend not only on surface properties, but also on impact conditions. We report high speed photography of fruit fly impacts at different angles of inclination on a rigid aluminum surface, optical microscopy and profilometry, and contact angle goniometry to support the design of engineered surfaces. For the polyurethane and epoxy coatings studied, some of which exhibited superhydrophobicity, it was determined that impact angle and surface compositions play critical roles in the efficacy of these surfaces to reduce insect residue adhesion.

  13. Effect of plasma nitriding time on surface properties of hard chromium electroplated AISI 1010 steel

    International Nuclear Information System (INIS)

    Kocabas, Mustafa; Uelker, Suekrue

    2015-01-01

    Properties of steel can be enhanced by surface treatments such as coating. In some cases, further treatments such as nitriding can also be used in order to get even better results. In order to investigate the properties of nitride layer on hard Cr coated AISI 1010 steel, substrates were electroplated to form hard Cr coatings. Then hard Cr coatings were plasma nitrided at 700 C for 3 h, 5 h and 7 h and nitride phases on the coatings were investigated by X-ray diffraction analysis. The layer thickness and surface properties of nitride films were investigated by scanning electron microscopy. The hardness and adhesion properties of Cr-N phases were examined using nano indentation and Daimler-Benz Rockwell C adhesion tests. The highest measured hardness was 24.1 GPa and all the three samples exhibited poor adhesion.

  14. Effect of plasma nitriding time on surface properties of hard chromium electroplated AISI 1010 steel

    Energy Technology Data Exchange (ETDEWEB)

    Kocabas, Mustafa [Yildiz Technical Univ., Istanbul (Turkey). Metallurgical and Materials Engineering Dept.; Danisman, Murat [Gedik Univ., Istanbul (Turkey). Electrical and Electronic Engineering Dept.; Cansever, Nurhan [Yildiz Technical Univ., Istanbul (Turkey); Uelker, Suekrue [Afyon Kocatepe Univ. (Turkey). Dept. of Mechanical Engineering

    2015-06-01

    Properties of steel can be enhanced by surface treatments such as coating. In some cases, further treatments such as nitriding can also be used in order to get even better results. In order to investigate the properties of nitride layer on hard Cr coated AISI 1010 steel, substrates were electroplated to form hard Cr coatings. Then hard Cr coatings were plasma nitrided at 700 C for 3 h, 5 h and 7 h and nitride phases on the coatings were investigated by X-ray diffraction analysis. The layer thickness and surface properties of nitride films were investigated by scanning electron microscopy. The hardness and adhesion properties of Cr-N phases were examined using nano indentation and Daimler-Benz Rockwell C adhesion tests. The highest measured hardness was 24.1 GPa and all the three samples exhibited poor adhesion.

  15. Ionic liquids influence on the surface properties of electron beam irradiated wood

    Energy Technology Data Exchange (ETDEWEB)

    Croitoru, Catalin [“Transilvania” University of Brasov, Product Design and Environment Department, 29 Eroilor Str., 500036, Brasov (Romania); Patachia, Silvia, E-mail: st.patachia@unitbv.ro [“Transilvania” University of Brasov, Product Design and Environment Department, 29 Eroilor Str., 500036, Brasov (Romania); Doroftei, Florica; Parparita, Elena; Vasile, Cornelia [“Petru Poni” Institute of Macromolecular Chemistry, Physical Chemistry of Polymers Department, 41A Gr. Ghica Voda Alley, Iasi (Romania)

    2014-09-30

    Highlights: • Wood veneers impregnated with three imidazolium-based ionic liquids and irradiated with electron beam were studied by FTIR-ATR, SEM/EDX, AFM, contact angle and image analysis. • ILs preserve the surface properties of the wood (surface energy, roughness, color) upon irradiation, in comparison with the reference wood, but the surface composition is changed by treatment with IL-s, mainly with 1-butyl-3-methylimidazolium tetrafluoroborate. • Under electron beam irradiation covalent bonding of the imidazolium moiety to wood determines a higher resistance to water penetration and spreading on the surface. - Abstract: In this paper, the influence of three imidazolium-based ionic liquids (1-butyl-3-methylimidazolium tetrafluoroborate, 1-butyl-3-methylimidazolium hexafluorophosphate and 1-hexyl-3-methylimidazolium chloride) on the structure and surface properties of sycamore maple (Acer pseudoplatanus) veneers submitted to electron beam irradiation with a dose of 50 kGy has been studied by using Fourier transform infrared spectroscopy, as well as image, scanning electron microscopy/SEM/EDX, atomic force microscopy and contact angle analysis. The experimental results have proven that the studied ionic liquids determine a better preservation of the structural features of wood (cellulose crystallinity index and lignin concentration on the surface) as well as some of surface properties such as surface energy, roughness, color upon irradiation with electron beam, in comparison with the reference wood, but surface composition is changed by treatment with imidazolium-based ionic liquids mainly with 1-butyl-3-methylimidazolium tetrafluoroborate. Also, under electron beam irradiation covalent bonding of the imidazolium moiety to wood determines a higher resistance to water penetration and spreading on the surface.

  16. Surface modification and electrochemical properties of activated carbons for supercapacitor electrodes

    Science.gov (United States)

    Yang, Dan; Qiu, Wenmei; Xu, Jingcai; Han, Yanbing; Jin, Hongxiao; Jin, Dingfeng; Peng, Xiaoling; Hong, Bo; Li, Ji; Ge, Hongliang; Wang, Xinqing

    2015-12-01

    Modifications with different acids (HNO3, H2SO4, HCl and HF, respectively) were introduced to treat the activated carbons (ACs) surface. The microstructures and surface chemical properties were discussed by X-ray diffraction (XRD), thermogravimetric analysis (TGA), ASAP, Raman spectra and Fourier transform infrared (FTIR) spectra. The ACs electrode-based supercapacitors were assembled with 6 mol ṡ L-1 KOH electrolyte. The electrochemical properties were studied by galvanostatic charge-discharge and cyclic voltammetry. The results indicated that although the BET surface area of modified ACs decreased, the functional groups were introduced and the ash contents were reduced on the surface of ACs, receiving larger specific capacitance to initial AC. The specific capacitance of ACs modified with HCl, H2SO4, HF and HNO3 increased by 31.4%, 23%, 21% and 11.6%, respectively.

  17. Plasma treatment of porous GaAs surface formed by electrochemical etching method: Characterization and properties

    International Nuclear Information System (INIS)

    Naddaf, M.; Saloum, S.

    2008-12-01

    Porous GaAs samples were formed by electrochemical anodic etching of Zn doped p-type GaAs (100) wafers at different etching parameters (time, mode of applied voltage or current and electrolyte). The effect of etching parameters and plasma surface treatment on the optical properties of the prepared sample has been investigated by using room temperature photoluminescence (PL), Raman spectroscopy and reflectance spectroscopic measurements in the range (400-800 nm). The surface morphological changes were studied by using atomic force microscope. It has been found that etching parameters can be controlled to produce a considerably low optical reflectivity porous GaAs layer, attractive for use in solar cells. In addition, it has been observed that the deposition of plasma polymerized HMDSO thin film on porous GaAs surface can be utilized to produce a surface with novel optical properties interesting for solar cells and optoelectronic devices. (author)

  18. Effect of surface roughness scattering on the transport properties of a 2DEG

    International Nuclear Information System (INIS)

    Yarar, Z.

    2004-01-01

    In this work surface roughness scattering of electrons in a two dimensional electron gas (2DEG) formed at heterojunction interfaces is investigated for various auto-correlation functions. Gaussian, exponential and Lorentzian auto-correlation functions are used to represent surface roughness. Poisson and Schrodinger equations are solved self consistently at the hetero interface to find the energy levels, the wave functions corresponding to each level and electron concentrations at each level. Using these wave functions and the auto-correlation functions mentioned above, the scattering rates due to surface roughness are calculated. Scattering rates resulting from acoustic and optical phonons are also calculated. These rates are used to study the transport properties of the two dimensional electrons using ensemble Monte Carlo method at various temperatures. Emphasis is given to the effect of surface roughness scattering on the transport properties of the electrons

  19. Synthesis of Some New Quaternary Ammonium Compounds Evaluation of their Surface properties and Solubilization Activity

    International Nuclear Information System (INIS)

    Ismail, D.A.; Mohamed, A.S.; Mohamed, M.Z.

    2004-01-01

    Four cationic surfactants were prepared by condensing fatty acid methyl diethanolamine derivatives (C 6 , C I0 , C I2 , C I8 ) with stoichiometric amounts of trimethyl chlorosilane. The surface properties and parameters were investigated to find the relationship between the structure of the hydrophobic portion of such compounds and their efficiency toward solubilization. The properties studied included surface excess concentration (Γ m ax), critical micelle concentration (cmc). free energy of micellization (ΔG ο m ic) and adsorption (ΔG ο a ds) in addition to the surface tension (γ c mc) at cmc and effectiveness (Π c mc). The values of Γ m ax, ΔG ο mic and ΔG ο a ds were found to increase with increasing number of chain length. while cmc and minimum surface area occupied by one molecule (A m in) were decreased. Solubilization effect of these surfactants on paraffin oil as a non polar solubilizate and biodegradability were studied

  20. Preparation, Surface Properties, and Therapeutic Applications of Gold Nanoparticles in Biomedicine.

    Science.gov (United States)

    Panahi, Yunes; Mohammadhosseini, Majid; Nejati-Koshki, Kazem; Abadi, Azam Jafari Najaf; Moafi, Hadi Fallah; Akbarzadeh, Abolfazl; Farshbaf, Masoud

    2017-02-01

    Gold nanoparticles (AuNPs) due to their unique properties and manifold surface functionalities have been applied in bio-nanotechnology. The application of GNPs in recent medical and biological research is very extensive. Especially it involves applications such as detection and photothermalysis of microorganisms and cancer stem cells, biosensors; optical bio-imaging and observing of cells and these nanostructures also serve as practical platforms for therapeutic agents. In this review we studied all therapeutic applications of gold nanoparticles in biomedicine, synthesis methods, and surface properties. © Georg Thieme Verlag KG Stuttgart · New York.

  1. Effect of nanocoating with rhamnogalacturonan-I on surface properties and osteoblasts response

    DEFF Research Database (Denmark)

    Gurzawska, Katarzyna Aleksandra; Svava, Rikke; Syberg, Susanne

    2012-01-01

    -I) on surface properties and osteoblasts response. Three different RG-Is from apple and lupin pectins were modified and coated on amino-functionalized tissue culture polystyrene plates (aminated TCPS). Surface properties were evaluated by scanning electron microscopy, contact angle measurement, atomic force...... microscopy, and X-ray photoelectron spectroscopy. The effects of nanocoating on proliferation, matrix formation and mineralization, and expression of genes (real-time PCR) related to osteoblast differentiation and activity were tested using human osteoblast-like SaOS-2 cells. It was shown that RG-I coatings...

  2. Optical and thermal properties in ultrafast laser surface nanostructuring on biodegradable polymer

    Science.gov (United States)

    Yada, Shuhei; Terakawa, Mitsuhiro

    2015-03-01

    We investigate the effect of optical and thermal properties in laser-induced periodic surface structures (LIPSS) formation on a poly-L-lactic acid (PLLA), a biodegradable polymer. Surface properties of biomaterials are known to be one of the key factors in tissue engineering. Methods to process biomaterial surfaces have been studied widely to enhance cell adhesive and anisotropic properties. LIPSS formation has advantages in a dry processing which is able to process complex-shaped surfaces without using a toxic chemical component. LIPSS, however, was difficult to be formed on PLLA due to its thermal and optical properties compared to other polymers. To obtain new perspectives in effect of these properties above, LIPSS formation dependences on wavelength, pulse duration and repetition rate have been studied. At 800 nm of incident wavelength, high-spatial frequency LIPSS (HSFL) was formed after applying 10000 femtosecond pulses at 1.0 J/cm2 in laser fluence. At 400 nm of the wavelength, HSFL was formed at fluences higher than 0.20 J/cm2 with more than 3000 pulses. Since LIPSS was less formed with lower repetition rate, certain heat accumulation may be required for LIPSS formation. With the pulse duration of 2.0 ps, higher laser fluence as well as number of pulses compared to the case of 120 fs was necessary. This indicates that multiphoton absorption process is essential for LIPSS formation. Study on biodegradation modification was also performed.

  3. Enzymatic Treatments to Improve Mechanical Properties and Surface Hydrophobicity of Jute Fiber Membranes

    Directory of Open Access Journals (Sweden)

    Aixue Dong

    2016-02-01

    Full Text Available Fiber membranes prepared from jute fragments can be valuable, low cost, and renewable. They have broad application prospects in packing bags, geotextiles, filters, and composite reinforcements. Traditionally, chemical adhesives have been used to improve the properties of jute fiber membranes. A series of new laccase, laccase/mediator systems, and multi-enzyme synergisms were attempted. After the laccase treatment of jute fragments, the mechanical properties and surface hydrophobicity of the produced fiber membranes increased because of the cross-coupling of lignins with ether bonds mediated by laccase. The optimum conditions were a buffer pH of 4.5 and an incubation temperature of 60 °C with 0.92 U/mL laccase for 3 h. Laccase/guaiacol and laccase/alkali lignin treatments resulted in remarkable increases in the mechanical properties; in contrast, the laccase/2,2’-azino-bis-(3-ethylthiazoline-6-sulfonate (ABTS and laccase/2,6-dimethoxyphenol treatments led to a decrease. The laccase/ guaiacol system was favorable to the surface hydrophobicity of jute fiber membranes. However, the laccase/alkali lignin system had the opposite effect. Xylanase/laccase and cellulase/laccase combined treatments were able to enhance both the mechanical properties and the surface hydrophobicity of jute fiber membranes. Among these, cellulase/laccase treatment performed better; compared to mechanical properties, the surface hydrophobicity of the jute fiber membranes showed only a slight increase after the enzymatic multi-step processes.

  4. Contributions of chemical and mechanical surface properties and temperature effect on the adhesion at the nanoscale

    International Nuclear Information System (INIS)

    Awada, Houssein; Noel, Olivier; Hamieh, Tayssir; Kazzi, Yolla; Brogly, Maurice

    2011-01-01

    The atomic force microscope (AFM) is a powerful tool to investigate surface properties of model systems at the nanoscale. However, to get semi-quantitative and reproducible data with the AFM, it is necessary to establish a rigorous experimental procedure. In particular, a systematic calibration procedure of AFM measurements is necessary before producing reliable semi-quantitative data. In this paper, we study the contributions of the chemical and mechanical surface properties or the temperature influence on the adhesion energy at a local scale. To reach this objective, two types of model systems were considered. The first one is composed of rigid substrates (silicon wafers or AFM tips covered with gold) which were chemically modified by molecular self-assembling monolayers to display different surface properties (methyl and hydroxyl functional groups). The second one consists of model polymer networks (cross-linked polydimethylsiloxane) of variable mechanical properties. The comparison of the force curves obtained from the two model systems shows that the viscoelastic contributions dominate for the adhesion with polymer substrates, whereas, chemical contributions dominate for the rigid substrates. The temperature effect on the adhesion energy is also reported. Finally, we propose a relation for the adhesion energy at the nanoscale. This relation relates the energy measured during the separation of the contact to the three parameters: the surface properties of the polymer, the energy dissipated within the contact zone and the temperature.

  5. BIOPHYSICAL PROPERTIES OF NUCLEIC ACIDS AT SURFACES RELEVANT TO MICROARRAY PERFORMANCE

    OpenAIRE

    Rao, Archana N.; Grainger, David W.

    2014-01-01

    Both clinical and analytical metrics produced by microarray-based assay technology have recognized problems in reproducibility, reliability and analytical sensitivity. These issues are often attributed to poor understanding and control of nucleic acid behaviors and properties at solid-liquid interfaces. Nucleic acid hybridization, central to DNA and RNA microarray formats, depends on the properties and behaviors of single strand (ss) nucleic acids (e.g., probe oligomeric DNA) bound to surface...

  6. Investigation of antimicrobial activity and morphological properties of metal coated textile surfaces

    International Nuclear Information System (INIS)

    Aslan, Necdet; Sen, Tuba; Senturk, Kenan; Corukhlu, Turgay; Varturk, Ipek; Seker, S.; Shahidi, S.; Korachi, May; Dobrovolskiy, A.M.; Tsiolko, V.V.; Matsevich, S.V.; Keskin, S.S.

    2014-01-01

    The results of investigation antimicrobial and surface properties of the textiles metal coated by means of magnetron or the cleaning-deposition system, which is based on sequentially arranged DC anode layer accelerator and hollow cathode, are presented. The antimicrobial properties against bacteria E. coli and S. aureus of cotton and polyester/cotton textiles coated by Cu, Ti and Ag with the use of two different systems were examined and compared.

  7. Fe and Co nanostructures embedded into the Cu(100) surface: Self-Organization and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Kolesnikov, S. V., E-mail: kolesnikov@physics.msu.ru; Klavsyuk, A. L.; Saletsky, A. M. [Moscow State University, Faculty of Physics (Russian Federation)

    2015-10-15

    The self-organization and magnetic properties of small iron and cobalt nanostructures embedded into the first layer of a Cu(100) surface are investigated using the self-learning kinetic Monte Carlo method and density functional theory. The similarities and differences between the Fe/Cu(100) and the Co/Cu(100) are underlined. The time evolution of magnetic properties of a copper monolayer with embedded magnetic atoms at 380 K is discussed.

  8. Effect of Processing Steps on the Mechanical Properties and Surface Appearance of 6063 Aluminium Extruded Products

    Science.gov (United States)

    Asensio-Lozano, Juan; Suárez-Peña, Beatriz; Vander Voort, George F.

    2014-01-01

    6063 aluminum anodized extrusions may exhibit a common surface defect known as streaking, characterized by the formation of narrow bands with a surface gloss different from the surrounding material. The origin of this banding lies in the differential surface topography produced after etching during the anodizing stage, shown to be connected to certain microstructural characteristics. The present study has attempted to determine the origin of these defects and measure the mechanical properties in these zones, properties which were either barely acceptable or did not meet the specification’s requirements. Quantitative metallography and mechanical testing, both tensile and microhardness, were used for materials assessment at the different steps of the process of manufacturing 6063 anodized extrusions. The results of this research show that nonequilibrium solidification rates during billet casting could lead to the formation of coarse eutectic Mg2Si particles which have a deleterious effect on both mechanical properties and surface appearance in the anodized condition. However, differences in the size and density of the coarse Mg2Si particles have been found to exist in the streak profile compared to the surrounding zones. The study revealed the importance of these particles in explaining the origin of the marginal or sub-marginal properties and anodizing surface defects found. PMID:28788673

  9. Effect of Processing Steps on the Mechanical Properties and Surface Appearance of 6063 Aluminium Extruded Products

    Directory of Open Access Journals (Sweden)

    Juan Asensio-Lozano

    2014-05-01

    Full Text Available 6063 aluminum anodized extrusions may exhibit a common surface defect known as streaking, characterized by the formation of narrow bands with a surface gloss different from the surrounding material. The origin of this banding lies in the differential surface topography produced after etching during the anodizing stage, shown to be connected to certain microstructural characteristics. The present study has attempted to determine the origin of these defects and measure the mechanical properties in these zones, properties which were either barely acceptable or did not meet the specification’s requirements. Quantitative metallography and mechanical testing, both tensile and microhardness, were used for materials assessment at the different steps of the process of manufacturing 6063 anodized extrusions. The results of this research show that nonequilibrium solidification rates during billet casting could lead to the formation of coarse eutectic Mg2Si particles which have a deleterious effect on both mechanical properties and surface appearance in the anodized condition. However, differences in the size and density of the coarse Mg2Si particles have been found to exist in the streak profile compared to the surrounding zones. The study revealed the importance of these particles in explaining the origin of the marginal or sub-marginal properties and anodizing surface defects found.

  10. Angle-dependent lubricated tribological properties of stainless steel by femtosecond laser surface texturing

    Science.gov (United States)

    Wang, Zhuo; Li, Yang-Bo; Bai, Feng; Wang, Cheng-Wei; Zhao, Quan-Zhong

    2016-07-01

    Lubricated tribological properties of stainless steel were investigated by femtosecond laser surface texturing. Regular-arranged micro-grooved textures with different spacing and micro-groove inclination angles (between micro-groove path and sliding direction) were produced on AISI 304L steel surfaces by an 800 nm femtosecond laser. The spacing of micro-groove was varied from 25 to 300 μm, and the inclination angles of micro-groove were measured as 90° and 45°. The tribological properties of the smooth and textured surfaces with micro-grooves were investigated by reciprocating ball-on-flat tests against Al2O3 ceramic balls under starved oil lubricated conditions. Results showed that the spacing of micro-grooves significantly affected the tribological property. With the increase of micro-groove spacing, the average friction coefficients and wear rates of textured surfaces initially decreased then increased. The tribological performance also depended on the inclination angles of micro-grooves. Among the investigated patterns, the micro-grooves perpendicular to the sliding direction exhibited the lowest average friction coefficient and wear rate to a certain extent. Femtosecond laser-induced surface texturing may remarkably improve friction and wear properties if the micro-grooves were properly distributed.

  11. Mg-Fe-mixed oxides derived from layered double hydroxides: A study of the surface properties

    Directory of Open Access Journals (Sweden)

    Marinković-Nedučin Radmila P.

    2011-01-01

    Full Text Available The influence of surface properties on the selectivity of the synthesized catalysts was studied, considering that their selectivity towards particular hydrocarbons is crucial for their overall activity in the chosen Fischer- -Tropsch reaction. Magnesium- and iron-containing layered double hydroxides (LDH, with the general formula: [Mg1-xFex(OH2](CO3x/2?mH2O, x = = n(Fe/(n(Mg+n(Fe, synthesized with different Mg/Fe ratio and their thermally derived mixed oxides were investigated. Magnesium was chosen because of its basic properties, whereas iron was selected due to its well-known high Fischer-Tropsch activity, redox properties and the ability to form specific active sites in the layered LDH structure required for catalytic application. The thermally less stable multiphase system (synthesized outside the optimal single LDH phase range with additional Fe-phase, having a lower content of surface acid and base active sites, a lower surface area and smaller fraction of smaller mesopores, showed higher selectivity in the Fischer-Tropsch reaction. The results of this study imply that the metastability of derived multiphase oxides structure has a greater influence on the formation of specific catalyst surface sites than other investigated surface properties.

  12. Surface crystallization and magnetic properties of amorphous Fe80B20 alloy

    International Nuclear Information System (INIS)

    Vavassori, P.; Ronconi, F.; Puppin, E.

    1997-01-01

    We have studied the effects of surface crystallization on the magnetic properties of Fe 80 B 20 amorphous alloys. The surface magnetic properties have been studied with magneto-optic Kerr measurements, while those of bulk with a vibrating sample magnetometer. This study reveals that surface crystallization is similar to the bulk process but occurs at a lower temperature. At variance with previous results on other iron-based amorphous alloys the surface crystalline layer does not induce bulk magnetic hardening. Furthermore, both the remanence to saturation ratio and the bulk magnetic anisotropy do not show appreciable variations after the formation of the surface crystalline layer. The Curie temperature of the surface layer is lower with respect to the bulk of the sample. These effects can be explained by a lower boron concentration in the surface region of the as-cast amorphous alloy. Measurements of the chemical composition confirm a reduction of boron concentration in the surface region. copyright 1997 American Institute of Physics

  13. Surface electrical properties of stainless steel fibres: An AFM-based study

    International Nuclear Information System (INIS)

    Yin, Jun; D’Haese, Cécile; Nysten, Bernard

    2015-01-01

    Highlights: • Surface electrical conductivity of stainless steel fibre is measured and mapped by CS-AFM. • Surface potential of stainless steel fibre is measured and mapped by KPFM. • Surface electronic properties are governed by the chromium oxide passivation layer. • Electron tunnelling through the passivation layer is the dominant mechanisms for conduction. - Abstract: Atomic force microscopy (AFM) electrical modes were used to study the surface electrical properties of stainless steel fibres. The surface electrical conductivity was studied by current sensing AFM and I–V spectroscopy. Kelvin probe force microscopy was used to measure the surface contact potential. The oxide film, known as passivation layer, covering the fibre surface gives rise to the observation of an apparently semiconducting behaviour. The passivation layer generally exhibits a p-type semiconducting behaviour, which is attributed to the predominant formation of chromium oxide on the surface of the stainless steel fibres. At the nanoscale, different behaviours are observed from points to points, which may be attributed to local variations of the chemical composition and/or thickness of the passivation layer. I–V curves are well fitted with an electron tunnelling model, indicating that electron tunnelling may be the predominant mechanism for electron transport

  14. Use of modern methods of fibre surface modification to obtain the multifunctional properties of textile materials

    Directory of Open Access Journals (Sweden)

    Jocić Dragan

    2003-01-01

    Full Text Available The modern textile fibre treatments aim to obtain the required level of beneficial effect while attempting to confine the modification to the fibre surface. Recently, much attention has been focused on different physical methods of fibre surface modification, cold plasma treatment being considered as very useful. Moreover, there are efficient chemical methods available, such as peroxide, biopolymer and enzyme treatment. Some interesting combinations of these physical and chemical surface modification methods as means to modify fibre surface topography and thus controlling the surface-related properties of the fibre are presented in this paper. The properties obtained are discussed on the basis of the physico-chemical changes in the surface layer of the fibre, being assessed by wettability and contact angle measurements, as well as by FTIR-ATR and XPS analysis. The SEM and AFM technique are used to assess the changes in the fibre surface topography and to correlate these changes to the effectiveness, uniformity and severity of the textile fibre surface modification treatments.

  15. Surface properties of SmB{sub 6} from X-ray photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Heming, Nadine; Treske, Uwe; Knupfer, Martin; Koitzsch, Andreas [Institute for Solid State Research, IFW Dresden (Germany); Buechner, Bernd [Institute for Solid State Research, IFW Dresden (Germany); Institut fuer Festkoerperphysik, TU Dresden (Germany); Inosov, Dmytro [Institut fuer Festkoerperphysik, TU Dresden (Germany); Shitsevalova, Natalya Y.; Filipov, Volodymyr B. [Institute for Problems of Material Science, Kiev (Ukraine); Kraus, Stephan [BESSY II, Berlin (Germany)

    2015-07-01

    The mixed valence compound SmB{sub 6} has been well known for its anomalous low temperature resistivity behavior for decades: At temperatures below 50 K, SmB{sub 6} transmutes from a metal to an insulator but shows residual resistivity for temperatures less than 5 K. Renewed interest in this material comes from theoretical proposals, predicting topological protected surface states making this compound the prime candidate for the new material class of ''Topological Kondo Insulators''. Indeed, elaborate transport experiments have evidenced that the residual conductivity occurs only at the surface. However, it is generally well known that the surface of f-systems undergoes valence changes and reconstructions, which may also influence the surface properties of this material. Applying surface sensitive soft X-ray photoemission spectroscopy, we have investigated the surface properties of freshly cleaved SmB{sub 6} single crystals at 15 K monitoring the Sm valance, the chemical state of boron as well as the surface stoichiometry, and also the development of these over time and with increased temperature: We have found that the surface shows an unexpected complexity stemming from both intrinsic and extrinsic changes.

  16. Dynamical properties of tertiarybutylarsine on GaAs(0 0 1) surface

    CERN Document Server

    Ozeki, M; Tanaka, Y

    2002-01-01

    The dynamical properties of tertiarybutylarsine (TBA) was studied on GaAs(0 0 1) surface using a supersonic molecular beam. The temperature and incident energy dependence of the reflected beam revealed a reaction channel of TBA on GaAs surface with a large decrease in the activation energy from 2.7 to 1.8 eV as the incident energy increases from 0.04 to 2.5 eV.

  17. Tunable rare-earth fcu-MOFs: A platform for systematic enhancement of CO2 adsorption energetics and uptake

    KAUST Repository

    Xue, Dongxu

    2013-05-22

    A series of fcu-MOFs based on rare-earth (RE) metals and linear fluorinated/nonfluorinated, homo/heterofunctional ligands were targeted and synthesized. This particular fcu-MOF platform was selected because of its unique structural characteristics combined with the ability/potential to dictate and regulate its chemical properties (e.g., tuning of the electron-rich RE metal ions and high localized charge density, a property arising from the proximal positioning of polarizing tetrazolate moieties and fluoro-groups that decorate the exposed inner surfaces of the confined conical cavities). These features permitted a systematic gas sorption study to evaluate/elucidate the effects of distinctive parameters on CO2-MOF sorption energetics. Our study supports the importance of the synergistic effect of exposed open metal sites and proximal highly localized charge density toward materials with enhanced CO2 sorption energetics. © 2013 American Chemical Society.

  18. Cell Surface Properties of Lactococcus lactis Reveal Milk Protein Binding Specifically Evolved in Dairy Isolates

    Directory of Open Access Journals (Sweden)

    Mariya Tarazanova

    2017-09-01

    Full Text Available Surface properties of bacteria are determined by the molecular composition of the cell wall and they are important for interactions of cells with their environment. Well-known examples of bacterial interactions with surfaces are biofilm formation and the fermentation of solid materials like food and feed. Lactococcus lactis is broadly used for the fermentation of cheese and buttermilk and it is primarily isolated from either plant material or the dairy environment. In this study, we characterized surface hydrophobicity, charge, emulsification properties, and the attachment to milk proteins of 55 L. lactis strains in stationary and exponential growth phases. The attachment to milk protein was assessed through a newly developed flow cytometry-based protocol. Besides finding a high degree of biodiversity, phenotype-genotype matching allowed the identification of candidate genes involved in the modification of the cell surface. Overexpression and gene deletion analysis allowed to verify the predictions for three identified proteins that altered surface hydrophobicity and attachment of milk proteins. The data also showed that lactococci isolated from a dairy environment bind higher amounts of milk proteins when compared to plant isolates. It remains to be determined whether the alteration of surface properties also has potential to alter starter culture functionalities.

  19. Surface and Adsorption Properties of Activated Carbon Fabric Prepared from Cellulosic Polymer: Mixed Activation Method

    Energy Technology Data Exchange (ETDEWEB)

    Bhati, Surendra; Mahur, J. S.; Choubey, O. N. [Barkatullah Univ., Bhopal (India); Dixit, Mahur Savita [Maulana Azad National Institute of Technology, Bhopla (India)

    2013-02-15

    In this study, activated carbon fabric was prepared from a cellulose-based polymer (viscose rayon) via a combination of physical and chemical activation (mixed activation) processes by means of CO{sub 2} as a gasifying agent and surface and adsorption properties were evaluated. Experiments were performed to investigate the consequence of activation temperature (750, 800, 850 and 925 .deg. C), activation time (15, 30, 45 and 60 minutes) and CO{sub 2} flow rate (100, 200, 300 and 400 mL/min) on the surface and adsorption properties of ACF. The nitrogen adsorption isotherm at 77 K was measured and used for the determination of surface area, total pore volume, micropore volume, mesopore volume and pore size distribution using BET, t-plot, DR, BJH and DFT methods, respectively. It was observed that BET surface area and TPV increase with rising activation temperature and time due to the formation of new pores and the alteration of micropores into mesopores. It was also found that activation temperature dominantly affects the surface properties of ACF. The adsorption of iodine and CCl{sub 4} onto ACF was investigated and both were found to correlate with surface area.

  20. Effect of Physical Property and Surface Morphology of Copper Foil at Electrodeposition Parameter

    Energy Technology Data Exchange (ETDEWEB)

    Woo, Tae Gyu; Park, Il Song; Lee, Man Hyung; Seol, Kyeong Won [Chonbuk National University, Jeonju (Korea, Republic of)

    2014-06-15

    The effect of additives, current density and plated temperature on the surface morphology and physical property, during copper electrodeposition on polyimide (PI) film was investigated. Two kinds of additives, Cl and leveler (additive B), were used in this study. Electrochemical experiments were performed in conjunction with SEM, XRD and four-point probe to characterize the morphology and mechanical characteristics of copper electrodeposited in the presence of the additives. The surface roughness, crystal growth orientation and resistivity was controlled by the concentration of additive B. High resistivity and lower peel strength were observed on the surface of the copper layer electroplated in the electrolyte without additive B. However, a uniform surface, lower resistivity and high flexibility were obtained with a combination of 20 ppm Cl and 100 ppm additive B. Large particles were observed on the surface of the copper layer electroplated using a current density of 25 mA/cm{sup 2}, but a uniform surface and lower resistivity were obtained using a current density of 10 mA/cm{sup 2}. One of the required important properties of FCCL is flexibility of the copper foil. High flexibility of FCCL was obtained at a low current density, rather than a high current density. Moreover, a reasonable current density is 20 mA/cm{sup 2}, considering the productivity and mechanical properties of copper foil.

  1. Surface and Adsorption Properties of Activated Carbon Fabric Prepared from Cellulosic Polymer: Mixed Activation Method

    International Nuclear Information System (INIS)

    Bhati, Surendra; Mahur, J. S.; Choubey, O. N.; Dixit, Mahur Savita

    2013-01-01

    In this study, activated carbon fabric was prepared from a cellulose-based polymer (viscose rayon) via a combination of physical and chemical activation (mixed activation) processes by means of CO 2 as a gasifying agent and surface and adsorption properties were evaluated. Experiments were performed to investigate the consequence of activation temperature (750, 800, 850 and 925 .deg. C), activation time (15, 30, 45 and 60 minutes) and CO 2 flow rate (100, 200, 300 and 400 mL/min) on the surface and adsorption properties of ACF. The nitrogen adsorption isotherm at 77 K was measured and used for the determination of surface area, total pore volume, micropore volume, mesopore volume and pore size distribution using BET, t-plot, DR, BJH and DFT methods, respectively. It was observed that BET surface area and TPV increase with rising activation temperature and time due to the formation of new pores and the alteration of micropores into mesopores. It was also found that activation temperature dominantly affects the surface properties of ACF. The adsorption of iodine and CCl 4 onto ACF was investigated and both were found to correlate with surface area

  2. Mesoscopic modeling of structural and thermodynamic properties of fluids confined by rough surfaces.

    Science.gov (United States)

    Terrón-Mejía, Ketzasmin A; López-Rendón, Roberto; Gama Goicochea, Armando

    2015-10-21

    The interfacial and structural properties of fluids confined by surfaces of different geometries are studied at the mesoscopic scale using dissipative particle dynamics simulations in the grand canonical ensemble. The structure of the surfaces is modeled by a simple function, which allows us to simulate readily different types of surfaces through the choice of three parameters only. The fluids we have modeled are confined either by two smooth surfaces or by symmetrically and asymmetrically structured walls. We calculate structural and thermodynamic properties such as the density, temperature and pressure profiles, as well as the interfacial tension profiles for each case and find that a structural order-disorder phase transition occurs as the degree of surface roughness increases. However, the magnitude of the interfacial tension is insensitive to the structuring of the surfaces and depends solely on the magnitude of the solid-fluid interaction. These results are important for modern nanotechnology applications, such as in the enhanced recovery of oil, and in the design of porous materials with specifically tailored properties.

  3. Effects of Different Footwear Properties and Surface Instability on Neuromuscular Activity and Kinematics During Jumping.

    Science.gov (United States)

    Lesinski, Melanie; Prieske, Olaf; Borde, Ron; Beurskens, Rainer; Granacher, Urs

    2018-04-13

    Lesinski, M, Prieske, O, Borde, R, Beurskens, R, and Granacher, U. Effects of different footwear properties and surface instability on neuromuscular activity and kinematics during jumping. J Strength Cond Res XX(X): 000-000, 2018-The purpose of this study was to examine sex-specific effects of different footwear properties vs. barefoot condition during the performance of drop jumps (DJs) on stable and unstable surfaces on measures of jump performance, electromyographic (EMG) activity, and knee joint kinematics. Drop jump performance, EMG activity of lower-extremity muscles, as well as sagittal and frontal knee joint kinematics were tested in 28 healthy male (n = 14) and female (n = 14) physically active sports science students (23 ± 2 years) during the performance of DJs on stable and unstable surfaces using different footwear properties (elastic vs. minimal shoes) vs. barefoot condition. Analysis revealed a significantly lower jump height and performance index (Δ7-12%; p footwear conditions (Δ29%; p footwear-surface interactions were detected. Our findings revealed that surface instability had an impact on DJ performance, thigh/shank muscle activity, and knee joint kinematics. In addition, the single factors "footwear" and "sex" modulated knee joint kinematics during DJs. However, hardly any significant interaction effects were found. Thus, additional footwear-related effects can be neglected when performing DJs during training on different surfaces.

  4. Enhancing the Properties of Carbon and Gold Substrates by Surface Modification

    Energy Technology Data Exchange (ETDEWEB)

    Harnisch, Jennifer Anne [Iowa State Univ., Ames, IA (United States)

    2001-01-01

    The properties of both carbon and gold substrates are easily affected by the judicious choice of a surface modification protocol. Several such processes for altering surface composition have been published in literature. The research presented in this thesis primarily focuses on the development of on-column methods to modify carbon stationary phases used in electrochemically modulated liquid chromatography (EMLC). To this end, both porous graphitic carbon (PGC) and glassy carbon (GC) particles have been modified on-column by the electroreduction of arenediazonium salts and the oxidation of arylacetate anions (the Kolbe reaction). Once modified, the carbon stationary phases show enhanced chromatographic performance both in conventional liquid chromatographic columns and EMLC columns. Additionally, one may also exploit the creation of aryl films to by electroreduction of arenediazonium salts in the creation of nanostructured materials. The formation of mercaptobenzene film on the surface of a GC electrode provides a linking platform for the chemisorption of gold nanoparticles. After deposition of nanoparticles, the surface chemistry of the gold can be further altered by self-assembled monolayer (SAM) formation via the chemisorption of a second thiol species. Finally, the properties of gold films can be altered such that they display carbon-like behavior through the formation of benzenehexathiol (BHT) SAMs. BHT chemisorbs to the gold surface in a previously unprecedented planar fashion. Carbon and gold substrates can be chemically altered by several methodologies resulting in new surface properties. The development of modification protocols and their application in the analytical arena is considered herein.

  5. Cell Surface Properties of Lactococcus lactis Reveal Milk Protein Binding Specifically Evolved in Dairy Isolates

    Science.gov (United States)

    Tarazanova, Mariya; Huppertz, Thom; Beerthuyzen, Marke; van Schalkwijk, Saskia; Janssen, Patrick; Wels, Michiel; Kok, Jan; Bachmann, Herwig

    2017-01-01

    Surface properties of bacteria are determined by the molecular composition of the cell wall and they are important for interactions of cells with their environment. Well-known examples of bacterial interactions with surfaces are biofilm formation and the fermentation of solid materials like food and feed. Lactococcus lactis is broadly used for the fermentation of cheese and buttermilk and it is primarily isolated from either plant material or the dairy environment. In this study, we characterized surface hydrophobicity, charge, emulsification properties, and the attachment to milk proteins of 55 L. lactis strains in stationary and exponential growth phases. The attachment to milk protein was assessed through a newly developed flow cytometry-based protocol. Besides finding a high degree of biodiversity, phenotype-genotype matching allowed the identification of candidate genes involved in the modification of the cell surface. Overexpression and gene deletion analysis allowed to verify the predictions for three identified proteins that altered surface hydrophobicity and attachment of milk proteins. The data also showed that lactococci isolated from a dairy environment bind higher amounts of milk proteins when compared to plant isolates. It remains to be determined whether the alteration of surface properties also has potential to alter starter culture functionalities. PMID:28936202

  6. Suppression of tilting instability of a compact torus by energetic particle beams

    International Nuclear Information System (INIS)

    Nomura, Yasuyuki.

    1984-11-01

    It is shown that the tilting instability of a compact torus can be suppressed by toroidally circulating energetic particle beams. The stabilizing mechanism is based on the properties of the forced oscillation in the motion of beam particles in a plasma ring. The required beam current for the stabilization is estimated to be sufficiently small compared to the plasma current in the case that the angular velocity of beam particles is close to the betatron frequency. This stabilizing method is applied to a field reversed configuration. Effects of the plasma surface current and beam divergences are also examined. (author)

  7. Effect of Surface Hydration on Antifouling Properties of Mixed Charged Polymers.

    Science.gov (United States)

    Leng, Chuan; Huang, Hao; Zhang, Kexin; Hung, Hsiang-Chieh; Xu, Yao; Li, Yaoxin; Jiang, Shaoyi; Chen, Zhan

    2018-05-07

    Interfacial water structure on a polymer surface in water (or surface hydration) is related to the antifouling activity of the polymer. Zwitterionic polymer materials exhibit excellent antifouling activity due to their strong surface hydration. It was proposed to replace zwitterionic polymers using mixed charged polymers because it is much easier to prepare mixed charged polymer samples with much lower costs. In this study, using sum frequency generation (SFG) vibrational spectroscopy, we investigated interfacial water structures on mixed charged polymer surfaces in water, and how such structures change while exposing to salt solutions and protein solutions. The 1:1 mixed charged polymer exhibits excellent antifouling property while other mixed charged polymers with different ratios of the positive/negative charges do not. It was found that on the 1:1 mixed charged polymer surface, SFG water signal is dominated by the contribution of the strongly hydrogen bonded water molecules, indicating strong hydration of the polymer surface. The responses of the 1:1 mixed charged polymer surface to salt solutions are similar to those of zwitterionic polymers. Interestingly, exposure to high concentrations of salt solutions leads to stronger hydration of the 1:1 mixed charged polymer surface after replacing the salt solution with water. Protein molecules do not substantially perturb the interfacial water structure on the 1:1 mixed charged polymer surface and do not adsorb to the surface, showing that this mixed charged polymer is an excellent antifouling material.

  8. Physical properties of the martian surface from the Viking 1 lander: preliminary results

    International Nuclear Information System (INIS)

    Shorthill, R.W.; Hutton, R.E.; Moore, H.J. II; Scott, R.E.; Spitzer, C.R.

    1976-01-01

    The purpose of the physical properties experiment is to determine the characteristics of the martian ''soil'' based on the use of the Viking lander imaging system, the surface sampler, and engineering sensors. Viking 1 lander made physical contact with the surface of Mars at 11:53:07.1 hours on 20 July 1976 G.M.T. Twenty-five seconds later a high-resolution image sequence of the area around a footpad was started which contained the first information about surface conditions on Mars. The next image is a survey of the martian landscape in front of the lander, including a view of the top support of two of the landing legs. Each leg has a stroke gauge which extends from the top of the leg support an amount equal to the crushing experienced by the shock absorbers during touchdown. Subsequent images provided views of all three stroke gauges which, together with the knowledge of the impact velocity, allow determination of ''soil'' properties. In the images there is evidence of surface erosion from the engines. Several laboratory tests were carried out prior to the mission with a descent engine to determine what surface alterations might occur during a Mars landing. On sol 2 the shroud, which protected the surface sampler collector head from biological contamination, was ejected onto the surface. Later a cylindrical pin which dropped from the boom housing of the surface sampler during the modified unlatching sequence produced a crater (the second Mars penetrometer experiment). These two experiments provided further insight into the physical properties of the martian surface

  9. First-principles study of the surface properties of U-Mo system

    Energy Technology Data Exchange (ETDEWEB)

    Mei, Zhi-Gang; Liang, Linyun; Yacout, Abdellatif M.

    2018-02-01

    U-Mo alloys are promising fuels for future high-performance research reactors with low enriched uranium. Surface properties, such as surface energy, are important inputs for mesoscale simulations (e.g., phase field method) of fission gas bubble behaviors in irradiated nuclear fuels. The lack of surface energies of U-Mo alloys prevents an accurate modeling of the morphology of gas bubbles and gas bubble-induced fuel swelling. To this end, we study the surface properties of U-Mo system, including bcc Mo, alpha-U, gamma-U, and gamma U-Mo alloys. All surfaces up to a maximum Miller index of three and two are calculated for cubic Mo and gamma-U and non-cubic alpha-U, respectively. The equilibrium crystal shapes of bcc Mo, alpha-U and gamma-U are constructed using the calculated surface energies. The dominant surface orientations and the area fraction of each facet are determined from the constructed equilibrium crystal shape. The disordered gamma U-Mo alloys are simulated using the Special Quasirandom Structure method. The (1 1 0) and (1 0 0) surface energies of gamma U-7Mo and U-10Mo alloys are predicted to lie between those of gamma-U and bcc Mo, following a linear combination of the two constituents' surface energies. To better compare with future measurements of surface energies, the area fraction weighted surface energies of alpha-U, gamma-U and gamma U-7Mo and U-10Mo alloys are also predicted. (C) 2017 Published by Elsevier B.V.

  10. The relationship between the particle properties, mechanical behavior, and surface roughness of some pharmaceutical excipient compacts

    International Nuclear Information System (INIS)

    Narayan, Padma; Hancock, Bruno C.

    2003-01-01

    Several common pharmaceutical excipient powders were compacted at a constant solid fraction (SF) in order to study the relationship between powder properties, compact surface roughness, and compact mechanical properties such as hardness, elasticity, and brittleness. The materials used in this study included microcrystalline cellulose (MCC), fumaric acid, mannitol, lactose monohydrate, spray dried lactose, sucrose, and dibasic calcium phosphate dihydrate. A slow consolidation process was used to make compacts at a SF of 0.85 (typical for most pharmaceutical tablets) from single excipient components. A model was proposed to describe the surface roughness of compacts based on the brittle or ductile deformation tendencies of the powder materials. The roughness profile would also be dependent upon the magnitude of the compression stress in relation to the yield stress (onset of irreversible deformation) values of the excipients. It was hypothesized that brittle materials would produce smooth compacts with high surface variability due to particle fracture, and the converse would apply for ductile materials. Compact surfaces should be smoother if the materials were compressed above their yield pressure values. Non-contact optical profilometry was used along with scanning electron microscopy to quantify and characterize the surface morphology of the excipient compacts. The roughness parameters R a (average roughness), R q (RMS roughness), R q /R a (ratio describing surface variability), and R sk (skewness) were found to correlate with the deformation properties of the excipients. Brittle materials such as lactose, sucrose, and calcium phosphate produced compacts with low values of R a and R q , high variability, and negative R sk . The opposite was found with plastic materials such as MCC, mannitol, and fumaric acid. The highly negative skewness values for brittle material compacts may indicate their propensity to be vulnerable to cracks or surface defects. These findings

  11. The relationship between the particle properties, mechanical behavior, and surface roughness of some pharmaceutical excipient compacts

    Energy Technology Data Exchange (ETDEWEB)

    Narayan, Padma; Hancock, Bruno C

    2003-08-25

    Several common pharmaceutical excipient powders were compacted at a constant solid fraction (SF) in order to study the relationship between powder properties, compact surface roughness, and compact mechanical properties such as hardness, elasticity, and brittleness. The materials used in this study included microcrystalline cellulose (MCC), fumaric acid, mannitol, lactose monohydrate, spray dried lactose, sucrose, and dibasic calcium phosphate dihydrate. A slow consolidation process was used to make compacts at a SF of 0.85 (typical for most pharmaceutical tablets) from single excipient components. A model was proposed to describe the surface roughness of compacts based on the brittle or ductile deformation tendencies of the powder materials. The roughness profile would also be dependent upon the magnitude of the compression stress in relation to the yield stress (onset of irreversible deformation) values of the excipients. It was hypothesized that brittle materials would produce smooth compacts with high surface variability due to particle fracture, and the converse would apply for ductile materials. Compact surfaces should be smoother if the materials were compressed above their yield pressure values. Non-contact optical profilometry was used along with scanning electron microscopy to quantify and characterize the surface morphology of the excipient compacts. The roughness parameters R{sub a} (average roughness), R{sub q} (RMS roughness), R{sub q}/R{sub a} (ratio describing surface variability), and R{sub sk} (skewness) were found to correlate with the deformation properties of the excipients. Brittle materials such as lactose, sucrose, and calcium phosphate produced compacts with low values of R{sub a} and R{sub q}, high variability, and negative R{sub sk}. The opposite was found with plastic materials such as MCC, mannitol, and fumaric acid. The highly negative skewness values for brittle material compacts may indicate their propensity to be vulnerable to

  12. Electrical initiation of an energetic nanolaminate film

    Science.gov (United States)

    Tringe, Joseph W.; Gash, Alexander E.; Barbee, Jr., Troy W.

    2010-03-30

    A heating apparatus comprising an energetic nanolaminate film that produces heat when initiated, a power source that provides an electric current, and a control that initiates the energetic nanolaminate film by directing the electric current to the energetic nanolaminate film and joule heating the energetic nanolaminate film to an initiation temperature. Also a method of heating comprising providing an energetic nanolaminate film that produces heat when initiated, and initiating the energetic nanolaminate film by directing an electric current to the energetic nanolaminate film and joule heating the energetic nanolaminate film to an initiation temperature.

  13. Surface-defect induced modifications in the optical properties of α-MnO_2 nanorods

    International Nuclear Information System (INIS)

    John, Reenu Elizabeth; Chandran, Anoop; Thomas, Marykutty; Jose, Joshy; George, K.C.

    2016-01-01

    Graphical abstract: - Highlights: • Alpha-MnO_2 nanorods are prepared by chemical method. • Difference in surface defect density is achieved. • Characterized using XRD, Rietveld, XPS, EDS, HR-TEM, BET, UV–vis absorption spectroscopy and PL spectroscopy. • Explains the bandstructure modification due to Jahn–Teller distortions using crystal field theory. • Modification in the intensity of optical emissions related to defect levels validates the concept of surface defect induced tuning of optical properties. - Abstract: The science of defect engineering via surface tuning opens a new route to modify the inherent properties of nanomaterials for advanced functional and practical applications. In this work, two independent synthesis methods (hydrothermal and co-precipitation) are adopted to fabricate α-MnO_2 nanorods with different defect structures so as to understand the effect of surface modifications on their optical properties. The crystal structure and morphology of samples are investigated with the aid of X-ray diffraction (XRD) and high resolution transmission electron microscopy (HRTEM). Atomic composition calculated from energy dispersive spectroscopy (EDS) confirms non-stoichiometry of the samples. The surface properties and chemical environment are thoroughly studied using X-ray photoelectron spectroscopy (XPS) and Brunauer–Emmett–Teller (BET) analysis. Bond angle variance and bond valence sum are determined to validate distortions in the basic MnO_6 octahedron. The surface studies indicate that the concentration of Jahn–Teller manganese (III) (Mn"3"+) ion in the samples differ from each other which results in their distinct properties. Band structure modifications due to Jahn–Teller distortion are examined with the aid of ultraviolet–visible (UV) reflectance and photoluminescence (PL) studies. The dual peaks obtained in derivative spectrum conflict the current concept on the bandgap energy of MnO_2. These studies suggest that

  14. Theoretical studies of structural and electronic properties of overlayers on semiconductor surfaces

    International Nuclear Information System (INIS)

    Cakmak, M.

    1999-06-01

    In this thesis we report the results of ab initio density functional calculations of equilibrium atomic geometry, electronic states and chemical bonding for the adsorption of elemental S and H 2 S on chosen semiconductor surfaces. The results are in good agreement with the available experimental results and indicate the need for further experimental work. In Chapter 2 of this thesis, I describe the formalism of the ab initio pseudopotential theory and the computational procedures which are used in this thesis. In the following chapter, a few experimental techniques are discussed, which we subsequently use their results to compare with our theoretical calculated results. In Chapter 4 the passivation of S on InP(110) is investigated. Two sets of geometries are used; non-reacted geometries and reacted geometries. For non-reacted full-monolayer coverage, the epitaxially continued layer structure is found to be the most energetically favourable and it exhibits a good semiconducting nature. For an ordered reacted model with the adsorbate S atoms exchanged with their neighbouring P atoms, the average vertical distance between the top two layers is in agreement with x-ray standing wave analysis, but is characterized by a small band gap. In Chapter 5 adsorption of the H 2 S molecule on the InP(110), GaAs(110) and GaP(110) surfaces is investigated within a dissociative adsorption model. In general the adsorption of H 2 S on the three semiconductors shows similar behaviour. In Chapter 6 the adsorption of elemental S on Si(001) is investigated using three adsorption models; hemisulfide-(2 x 1) structure, monosulfide-(1 x 1) structure, and disulfide-(1 x 1) structure. An analysis of the surface free energy suggests that the monosulfide structure is more stable than the hemisulfide and disulfide structures. This result is also used to investigate the adsorption of elemental S on the Ge(001) surface. In Chapter 7, the adsorption of the H 2 S molecule on the Si(001) and Ge(001

  15. Geometrical properties of rough metallic surfaces and their implication in electromagnetic problems

    International Nuclear Information System (INIS)

    Hernandez, A.; Chicon, R.; Ortuno, M.; Abellan, J.

    1987-01-01

    We analyze the geometrical properties and their implications in the effective surface resistance and wall losses of rough metallic surfaces. The power spectrum and the autocorrelation function are calculated for a simple model that adequately represent the rough surface. The roughness parameters are obtained through average values of the roughness and its derivative. We calculate the density profile, directly related to the depth-dependent effective conductivity. The data from the profilometer are corrected to take into account the finite size of the tip. (author)

  16. Numerical study of propagation properties of surface plasmon polaritons in nonlinear media

    KAUST Repository

    Sagor, Rakibul Hasan

    2016-03-29

    We present a time-domain algorithm for simulating nonlinear propagation of surface plasmon polaritons (SPPs) in chalcogenide glass. Due to the high non-linearity property and strong dispersion and confinement chalcogenide glasses are widely known as ultrafast nonlinear materials. We have used the finite difference time domain (FDTD) method to develop the simulation algorithm for the current analysis. We have modeled the frequency dependent dispersion properties and third order nonlinearity property of chalcogenide glass utilizing the general polarization algorithm merged in the auxiliary differential equation (ADE) method. The propagation dynamics of the whole structure with and without third order nonlinearity property of chalcogenide glass have been simulated and the effect of nonlinearity on the propagation properties of SPP has been investigated. © 2016 EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg.

  17. Dimensional accuracy and surface property of titanium casting using gypsum-bonded alumina investment.

    Science.gov (United States)

    Yan, Min; Takahashi, Hidekazu; Nishimura, Fumio

    2004-12-01

    The aim of the present study was to evaluate the dimensional accuracy and surface property of titanium casting obtained using a gypsum-bonded alumina investment. The experimental gypsum-bonded alumina investment with 20 mass% gypsum content mixed with 2 mass% potassium sulfate was used for five cp titanium castings and three Cu-Zn alloy castings. The accuracy, surface roughness (Ra), and reaction layer thickness of these castings were investigated. The accuracy of the castings obtained from the experimental investment ranged from -0.04 to 0.23%, while surface roughness (Ra) ranged from 7.6 to 10.3microm. A reaction layer of about 150 microm thickness under the titanium casting surface was observed. These results suggested that the titanium casting obtained using the experimental investment was acceptable. Although the reaction layer was thin, surface roughness should be improved.

  18. Optical surface properties and their RF limitations of European XFEL cavities

    Energy Technology Data Exchange (ETDEWEB)

    Wenskat, Marc

    2017-04-15

    The inner surface of superconducting cavities plays a crucial role to achieve highest accelerating fields and low losses. The industrial fabrication of cavities for the European X-Ray Free Electron Laser (XFEL) and the International Linear Collider (ILC) HiGrade Research Project allowed for an investigation of this interplay. For the serial inspection of the inner surface, the optical inspection robot OBACHT was constructed and to analyze the large amount of data, represented in the images of the inner surface, an image processing and analysis code was developed and new variables to describe the cavity surface were obtained. This quantitative analysis identified vendor specific surface properties which allow to perform a quality control and assurance during the production. In addition, a strong negative correlation of ρ=-0.93 with a significance of 6σ of the integrated grain boundary area ΣA versus the maximal achievable accelerating field E{sub acc,max} has been found.

  19. Ultraviolet-induced surface grafting of octafluoropentyl methacrylate on polyether ether ketone for inducing antibiofilm properties.

    Science.gov (United States)

    Amdjadi, Parisa; Nojehdehian, Hanieh; Najafi, Farhood; Ghasemi, Amir; Seifi, Massoud; Dashtimoghadam, Erfan; Fahimipour, Farahnaz; Tayebi, Lobat

    2017-07-01

    Since octafluoropentyl methacrylate is an antifouling polymer, surface modification of polyether ether ketone with octafluoropentyl methacrylate is a practical approach to obtaining anti-biofilm biocompatible devices. In the current study, the surface treatment of polyether ether ketone by the use of ultraviolet irradiation, so as to graft (octafluoropentyl methacrylate) polymer chains, was initially implemented and then investigated. The Fourier-transform infrared and nuclear magnetic resonance spectra corroborated the appearance of new signals associated with the fluoroacrylate group. Thermogravimetric curves indicated enhanced asymmetry in the polymer structure due to the introduction of the said new groups. Measuring the peak area in differential scanning calorimetry experiments also showed additional bond formation. Static water contact angle measurements indicated a change in wettability to the more hydrophobic surface. The polyether ether ketone-octafluoropentyl methacrylate surface greatly reduced the protein adsorption. This efficient method can modulate and tune the surface properties of polyether ether ketone according to specific applications.

  20. Effect of temperature on the behavior of surface properties of alcohols in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Romero, Carmen M. [Facultad de Ciencias, Universidad Nacional de Colombia, Bogota (Colombia)], E-mail: cmromeroi@unal.edu.co; Jimenez, Eulogio [Facultade de Ciencias, Universidade da Coruna (Spain); Suarez, Felipe [Facultad de Ciencias, Universidad Nacional de Colombia, Bogota (Colombia)

    2009-04-15

    The influence of temperature on the behavior of surface properties of aqueous solutions has often been used to obtain information about solute structural effects on water. In this work, we present experimental results for surface tension of aqueous solutions of n-pentanol, n-hexanol, n-heptanol, and n-octanol at T = (283.15, 288.15, 293.15, 298.15, 303.15, and 308.15) K at several concentrations. The results were used to evaluate the limiting experimental slopes of surface tension with respect to mole fraction and the hydrophobicity constant of the Connors model at each temperature. The thermodynamic behavior of aqueous alcohol solutions is discussed in terms of the effect of the hydrocarbon chain on water structure. The temperature dependence of the limiting slopes of surface tension with respect to mole fraction, as well as the hydrophobicity constant derived from surface measurements, is interpreted in terms of alcohol hydration.

  1. Optical surface properties and their RF limitations of European XFEL cavities

    International Nuclear Information System (INIS)

    Wenskat, Marc

    2017-04-01

    The inner surface of superconducting cavities plays a crucial role to achieve highest accelerating fields and low losses. The industrial fabrication of cavities for the European X-Ray Free Electron Laser (XFEL) and the International Linear Collider (ILC) HiGrade Research Project allowed for an investigation of this interplay. For the serial inspection of the inner surface, the optical inspection robot OBACHT was constructed and to analyze the large amount of data, represented in the images of the inner surface, an image processing and analysis code was developed and new variables to describe the cavity surface were obtained. This quantitative analysis identified vendor specific surface properties which allow to perform a quality control and assurance during the production. In addition, a strong negative correlation of ρ=-0.93 with a significance of 6σ of the integrated grain boundary area ΣA versus the maximal achievable accelerating field E acc,max has been found.

  2. Effect of temperature on the behavior of surface properties of alcohols in aqueous solution

    International Nuclear Information System (INIS)

    Romero, Carmen M.; Jimenez, Eulogio; Suarez, Felipe

    2009-01-01

    The influence of temperature on the behavior of surface properties of aqueous solutions has often been used to obtain information about solute structural effects on water. In this work, we present experimental results for surface tension of aqueous solutions of n-pentanol, n-hexanol, n-heptanol, and n-octanol at T = (283.15, 288.15, 293.15, 298.15, 303.15, and 308.15) K at several concentrations. The results were used to evaluate the limiting experimental slopes of surface tension with respect to mole fraction and the hydrophobicity constant of the Connors model at each temperature. The thermodynamic behavior of aqueous alcohol solutions is discussed in terms of the effect of the hydrocarbon chain on water structure. The temperature dependence of the limiting slopes of surface tension with respect to mole fraction, as well as the hydrophobicity constant derived from surface measurements, is interpreted in terms of alcohol hydration

  3. Energetic solar particles

    International Nuclear Information System (INIS)

    Biswas, M.

    1975-01-01

    In this review, some of the important aspects of energetic solar particles and their relation to solar physics are discussed. The major aspects of solar cosmic ray studies currently under investigation are identified and attention is focussed on the problems of the physical processes in the sun which may be responsible for these phenomena. The studies of the composition and energy spectra of solar cosmic ray nuclei are related to the basic problem of particle acceleration process in sun and to the composition of elements in solar atmosphere. The composition of higher energy (>20 MeV/amu) multiply charged nuclei of He, C, N, O, Ne, Mg, Si and Fe give information on the abundance of elements in the solar atmosphere. At lower energies (approximately 1-10 MeV/amu), the abundances of these elements show enhancements relative to solar abundances and these enhancements are believed to be due to particle acceleration mechanisms operative in the sun which are not fully understood at present. Studies of the relative abundances of H 2 , H 3 and He 3 isotopes and Li, Be, B nuclei in the solar cosmic rays can also be studied. The question of the relationship of the accelerated particles in the sun to the optical flare phenomena is discussed. Further studies of different aspects of these phenomena may give important clues to a wide ranging phenomena in the active sun. The observational methods employed for these studies are mentioned. (A.K.)

  4. Analysis of the energetic sector through the national energetic matrix

    International Nuclear Information System (INIS)

    Garzon Lozano, Enrique

    2007-01-01

    The author shows the results of the national energetic balance 1975-2005, through the energetic matrix of the country, giving an annual growth of 5.1% in this period of offer of primary energy, where the mineral coal participates with 9,6%, the hydraulic energy with 4,8%, natural gas with 4,2%, trash with 2,4% and petroleum with 2,2%, while the firewood fell in 0,5%

  5. Laser alloying of Al with mixed Ti and Ni powders to improve surface properties

    CSIR Research Space (South Africa)

    Mabhali, Luyolo AB

    2008-07-01

    Full Text Available Aluminium is used in industry for various applications due to its low cost, light weight and excellent workability, but lacks wear resistance and hardness. Laser alloying is used to improve surface properties such as hardness and wear resistance...

  6. Imaging of Mechanical Properties of Soft Matter. From Heterogeneous Polymer Surfaces to Single Biomolecules

    NARCIS (Netherlands)

    Schön, Peter Manfred; Gosa, Maria; Vancso, Gyula J.

    2013-01-01

    In recent years the atomic force microscope (AFM) has evolved from a high resolution imaging tool to an enabling platform for physical studies at the nanoscale including quantitative mapping of mechanical characteristics of surfaces providing simultaneous topography and mechanical property maps

  7. Structural and electronic properties of single molecules and organic layers on surfaces

    NARCIS (Netherlands)

    Sotthewes, Kai

    2016-01-01

    Single molecules and organic layers on well-defined solid surfaces have attracted tremendous attention owing to their interesting physical and chemical properties. The ultimate utility of single molecules or self-assembled monolayers (SAMs) for potential applications is critically dependent on the

  8. Assessment of the mechanical properties of area-elastic sport surfaces with video analysis

    NARCIS (Netherlands)

    de Koning, J.J.; Nigg, B.M.; Gerritsen, K.G.M.

    1997-01-01

    Mechanical properties of a surface are assumed to he of importance with respect to injuries, comfort, and performance in sport. For a better understanding of the factors that do influence the etiology of injuries as well as comfort, a method was developed to compare mechanical characteristics of

  9. Surface Properties of Squalene/Meibum Films and NMR Confirmation of Squalene in Tears

    Directory of Open Access Journals (Sweden)

    Slavyana Ivanova

    2015-09-01

    Full Text Available Squalene (SQ possesses a wide range of pharmacological activities (antioxidant, drug carrier, detoxifier, hydrating, emollient that can be of benefit to the ocular surface. It can come in contact with human meibum (hMGS; the most abundant component of the tear film lipid layer as an endogenous tear lipid or from exogenous sources as eyelid sebum or pharmaceuticals. The aims of this study were to determine (i if SQ is in tear lipids and (ii its influence on the surface properties of hMGS films. Heteronuclear single quantum correlation NMR confirmed 7 mol % SQ in Schirmer’s strips extracts. The properties of SQ/hMGS pseudo-binary films at the air/water interface were studied with Langmuir surface balance, stress-relaxation dilatational rheology and Brewster angle microscopy. SQ does not possess surfactant properties. When mixed with hMGS squalene (i localized over the layers’ thinner regions and (ii did not affect the film pressure at high compression. Therefore, tear SQ is unlikely to instigate dry eye, and SQ can be used as a safe and “inert” ingredient in formulations to protect against dry eye. The layering of SQ over the thinner film regions in addition to its pharmacological properties could contribute to the protection of the ocular surface.

  10. Laser irradiation effects on the surface, structural and mechanical properties of Al-Cu alloy 2024

    Science.gov (United States)

    Yousaf, Daniel; Bashir, Shazia; Akram, Mahreen; kalsoom, Umm-i.-; Ali, Nisar

    2014-02-01

    Laser irradiation effects on surface, structural and mechanical properties of Al-Cu-Mg alloy (Al-Cu alloy 2024) have been investigated. The specimens were irradiated for various fluences ranging from 3.8 to 5.5 J/cm2 using an Excimer (KrF) laser (248 nm, 18 ns, 30 Hz) under vacuum environment. The surface and structural modifications of the irradiated targets have been investigated by scanning electron microscope (SEM) and X-ray diffractometer (XRD), respectively. SEM analysis reveals the formation of micro-sized craters along the growth of periodic surface structures (ripples) at their peripheries. The size of the craters initially increases and then decreases by increasing the laser fluence. XRD analysis shows an anomalous trend in the peak intensity and crystallite size of the specimen irradiated for various fluences. A universal tensile testing machine and Vickers microhardness tester were employed in order to investigate the mechanical properties of the irradiated targets. The changes in yield strength, ultimate tensile strength and microhardness were found to be anomalous with increasing laser fluences. The changes in the surface and structural properties of Al-Cu alloy 2024 after laser irradiation have been associated with the changes in mechanical properties.

  11. Surface properties of a nanocrystalline Fe-Ni-Nb-B alloy after neutron irradiation

    International Nuclear Information System (INIS)

    Pavuk, M.; Sitek, J.; Sedlackova, K.

    2014-01-01

    In this work, we studied the impact of a neutron radiation on the surface properties of the nanocrystalline (Fe_0_._2_5Ni_0_._7_5)_8_1Nb_7B_1_2 alloy. Changes in topography and domain structure were observed by means of magnetic force microscopy (MFM). (authors)

  12. Synthesis and characterization of biodegradable lignin nanoparticles with tunable surface properties

    NARCIS (Netherlands)

    Richter, Alexander P.; Bharti, Bhuvnesh; Armstrong, Hinton B.; Brown, Joseph S.; Plemmons, Dayne; Paunov, Vesselin N.; Stoyanov, Simeon D.; Velev, Orlin D.

    2016-01-01

    Lignin nanoparticles can serve as biodegradable carriers of biocidal actives with minimal environmental footprint. Here we describe the colloidal synthesis and interfacial design of nanoparticles with tunable surface properties using two different lignin precursors, Kraft (Indulin AT) lignin and

  13. Magnetic and surface properties of Fe-Nb (Mo, V)-Cu-B-Si ribbons

    International Nuclear Information System (INIS)

    Butvinova, B.; Butvin, P.; Svec, P. Sr.; Matko, I.; Svec, P.; Janickovic, D.; Kadlecikova, M.

    2014-01-01

    The rapidly quenched Finemet (FeNbCuBSi) ribbons prepared by planar flow casting of the melt are very variable to obtain very good soft-magnetic properties. An appropriate thermal treatment leading to ultra-fine grain structure enables to attain such properties as desired for practical use. Increasing Fe percentage to the detriment of non-magnetic components lifts saturation induction above 1.3 T, preserves low coercivity and makes the alloy even cheaper to suit its mass production for use in power electronics. Apart from the plenty of benefits the ribbons show some risks. One of them is macroscopic heterogeneity, which often manifests via differences between surfaces and interior of a ribbon [3]. The surfaces squeeze (by in-plane force) the interior of many such ribbons and if engaged in magnetoelastic interaction, the force affects the resulting magnetic anisotropy [4]. Current research shows that changes of hysteresis loop shape come rather from surface crystallization and not from oxides namely in positively magnetostrictive alloys FeNbCuBSi known as low- Si Finemets. The object of this work is to verify whether the substitution of another element instead of Nb (usually incorporated as the grain-growth blocker) can change surface properties and affects the resulting magnetic properties. We chose V and Mo instead of Nb. Oxides, oxyhydroxides and a possible squeezing layer was looked for after higher temperature annealing which ensures partially nanocrystalline structure. (authors)

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

    Science.gov (United States)

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

    2005-02-01

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

  15. Impact of surface energy on the shock properties of granular explosives

    Science.gov (United States)

    Bidault, X.; Pineau, N.

    2018-01-01

    This paper presents the first part of a two-fold molecular dynamics study of the impact of the granularity on the shock properties of high explosives. Recent experimental studies show that the granularity can have a substantial impact on the properties of detonation products {i.e., variations in the size distributions of detonation nanodiamonds [V. Pichot et al., Sci. Rep. 3, 2159 (2013)]}. These variations can have two origins: the surface energy, which is a priori enhanced from micro- to nano-scale, and the porosity induced by the granular structure. In this first report, we study the impact of the surface-energy contribution on the inert shock compression of TATB, TNT, α-RDX, and β-HMX nano-grains (triaminotrinitrobenzene, trinitrotoluene, hexogen and octogen, respectively). We compute the radius-dependent surface energy and combine it with an ab initio-based equation of state in order to obtain the resulting shock properties through the Rankine-Hugoniot relations. We find that the enhancement of the surface energy results in a moderate overheating under shock compression. This contribution is minor with respect to porosity, when compared to a simple macroscopic model. This result motivates further atomistic studies on the impact of nanoporosity networks on the shock properties.

  16. Type Ia Supernovae: Energetics, Neutronization and Nucleosynthesis

    International Nuclear Information System (INIS)

    Truran, James W.; Calder, Alan C.; Townsley, Dean M.; Seitenzahl, Ivo R.; Peng, Fang; Vladimirova, Natalia; Lamb, Donald Q.; Brown, Edward F.

    2007-01-01

    The utility of Type Ia supernovae, not simply as probes of the distance scale but also as a means of constraining the properties of dark energy, demands a significant improvement in theoretical predictions of their properties in outburst. To this end, we have given substantial effort to quantifying the energetics and nucleosynthesis properties of deflagration fronts in the interiors of the putative carbon-oxygen white dwarf progenitors of Type Ia thermonuclear supernovae. We briefly review some essential features of our flame model and its properties in this paper and discuss its implications both for our multidimensional numerical simulations of SNe Ia and for nucleosynthesis (specifically 56Ni production) in SNe Ia and Galactic chemical evolution

  17. Confinement properties of 2D porous molecular networks on metal surfaces

    International Nuclear Information System (INIS)

    Müller, Kathrin; Enache, Mihaela; Stöhr, Meike

    2016-01-01

    Quantum effects that arise from confinement of electronic states have been extensively studied for the surface states of noble metals. Utilizing small artificial structures for confinement allows tailoring of the surface properties and offers unique opportunities for applications. So far, examples of surface state confinement include thin films, artificial nanoscale structures, vacancy and adatom islands, self-assembled 1D chains, vicinal surfaces, quantum dots and quantum corrals. In this review we summarize recent achievements in changing the electronic structure of surfaces by adsorption of nanoporous networks whose design principles are based on the concepts of supramolecular chemistry. Already in 1993, it was shown that quantum corrals made from Fe atoms on a Cu(1 1 1) surface using single atom manipulation with a scanning tunnelling microscope confine the Shockley surface state. However, since the atom manipulation technique for the construction of corral structures is a relatively time consuming process, the fabrication of periodic two-dimensional (2D) corral structures is practically impossible. On the other side, by using molecular self-assembly extended 2D porous structures can be achieved in a parallel process, i.e. all pores are formed at the same time. The molecular building blocks are usually held together by non-covalent interactions like hydrogen bonding, metal coordination or dipolar coupling. Due to the reversibility of the bond formation defect-free and long-range ordered networks can be achieved. However, recently also examples of porous networks formed by covalent coupling on the surface have been reported. By the choice of the molecular building blocks, the dimensions of the network (pore size and pore to pore distance) can be controlled. In this way, the confinement properties of the individual pores can be tuned. In addition, the effect of the confined state on the hosting properties of the pores will be discussed in this review article

  18. Morpho-chemical characterization and surface properties of carcinogenic zeolite fibers

    International Nuclear Information System (INIS)

    Mattioli, Michele; Giordani, Matteo; Dogan, Meral; Cangiotti, Michela; Avella, Giuseppe; Giorgi, Rodorico; Dogan, A. Umran; Ottaviani, Maria Francesca

    2016-01-01

    Highlights: • Differently carcinogenic zeolite fibers were investigated combining physico-chemical methods. • For the first time, zeolite fibers were studied by means of the EPR technique using different spin probes. • The structural properties and the adsorption capability are function of different types and distributions of adsorption sites. • The interacting ability of erionite is higher than that of other fibrous zeolites. • The surface interacting properties may be related with the carcinogenicity of the zeolite fibers. - Abstract: Erionite belonging to the zeolite family is a human health-hazard, since it was demonstrated to be carcinogenic. Conversely, offretite family zeolites were suspected carcinogenic. Mineralogical, morphological, chemical, and surface characterizations were performed on two erionites (GF1, MD8) and one offretite (BV12) fibrous samples and, for comparison, one scolecite (SC1) sample. The specific surface area analysis indicated a larger availability of surface sites for the adsorption onto GF1, while SC1 shows the lowest one and the presence of large pores in the poorly fibrous zeolite aggregates. Selected spin probes revealed a high adsorption capacity of GF1 compared to the other zeolites, but the polar/charged interacting sites were well distributed, intercalated by less polar sites (Si–O–Si). MD8 surface is less homogeneous and the polar/charged sites are more interacting and closer to each other compared to GF1. The interacting ability of BV12 surface is much lower than that found for GF1 and MD8 and the probes are trapped in small pores into the fibrous aggregates. In comparison with the other zeolites, the non-carcinogenic SC1 shows a poor interacting ability and a lower surface polarity. These results helped to clarify the chemical properties and the surface interacting ability of these zeolite fibers which may be related to their carcinogenicity.

  19. Fabrication of metallic surfaces with long-term superhydrophilic property using one-stop laser method

    International Nuclear Information System (INIS)

    Guan, Y.C.; Luo, F.F.; Lim, G.C.; Hong, M.H.; Zheng, H.Y.; Qi, Bojin

    2015-01-01

    Highlights: • One-stop laser method is presented to fabricate superhydrophilic surface on metals. • Wettability study shows the longest superhydrophilic duration as more than 1 month. • Water-soluble compounds, polar functional groups and dual-scale structures were formed. • Surface roughness shows an amplification effect of the wetting behavior. - Abstract: A simple method for fabricating stable superhydrophilic surface at metallic substrates is reported. This technique comprises irradiating the surface with multiple laser pulses. Surface wettability can be taylored through controlling laser parameters and processing conditions. The substrates were selected as aluminum alloy and stainless steel. Physical morphology and chemical composition of laser-textured surfaces were characterized by SEM, XPS, and 3D profiler measurements. Results showed that the longest wettability duration was achieved as more than 1 month for stainless steel and more than 200 h for Al alloy, respectively. The possible mechanism of hydrophilic behavior of laser-textured surfaces was discussed. The effect of surface topography on superhydrophilicity property was also evaluated. This study presents a promising method in fabricating long-term superhydrophilic surfaces, which is useful for improving adhesion or achieving water-assisted flow in industrial applications as well as developing cell-based technologies in biomedical applications

  20. Properties and cleanability of new and traditional surface materials in cattle barns - a field study

    Directory of Open Access Journals (Sweden)

    R. KUISMA

    2008-12-01

    Full Text Available In this study surface properties and cleanability of new and traditional surface materials in cattle barns were examined in a field test. The concrete and plastic-coated samples were placed on a walking path on the floor and on a feeding table in a cattle barn. The surfaces were characterized using colorimetric and gloss measurements and determination of topography. In most cases, the colour of the surfaces placed on the floor darkened during the one year study period, whereas the colour changes of the samples placed on the feeding table did not show a similar trend. However, in both locations the plastic-coated surfaces were generally the easiest to clean, and the highest colour changes indicating soil residues were detected on the uncoated and silane-impregnated concrete surfaces. The difference between the locations was also seen in the gloss values, which increased in the samples placed on the floor during the one-year test period but varied considerably between the different materials on the surfaces placed on the feeding table. This field study confirmed the observation from earlier laboratory studies that plastic coatings improved the cleanability of concrete cattle barn surfaces. Silane impregnation was not functionally competitive with the plastic coatings. In general, the cleanability results were in accordance with the results of previous laboratory experiments but the field study provided practical information about the behaviour of the surface materials examined.;

  1. Surface Properties of PAN-based Carbon Fibers Modified by Electrochemical Oxidization in Organic Electrolyte Systems

    Directory of Open Access Journals (Sweden)

    WU Bo

    2016-09-01

    Full Text Available PAN-based carbon fibers were modified by electrochemical oxidization using fatty alcohol polyoxyethylene ether phosphate (O3P, triethanolamine (TEOA and fatty alcohol polyoxyethylene ether ammonium phosphate (O3PNH4 as organic electrolyte respectively. Titration analysis, single fiber fracture strength measurement and field emission scanning electron microscopy (FE-SEM were used to evaluate the content of acidic functional group on the surface, mechanical properties and surface morphology of carbon fiber. The optimum process of electrochemical treatment obtained is at 50℃ for 2min and O3PNH4 (5%, mass fraction as the electrolyte with current density of 2A/g. In addition, the surface properties of modified carbon fibers were characterized by X-ray photoelectron spectroscopy (XPS and single fiber contact angle test. The results show that the hydrophilic acidic functional groups on the surface of carbon fiber which can enhance the surface energy are increased by the electrochemical oxidation using O3PNH4 as electrolyte, almost without any weakening to the mechanical properties of carbon fiber.

  2. Tribological properties and surface structures of ion implanted 9Cr18Mo stainless steels

    Science.gov (United States)

    Fengbin, Liu; Guohao, Fu; Yan, Cui; Qiguo, Sun; Min, Qu; Yi, Sun

    2013-07-01

    The polished quenched-and-tempered 9Cr18Mo steels were implanted with N ions and Ti ions respectively at a fluence of 2 × 1017 ions/cm2. The mechanical properties of the samples were investigated by using nanoindenter and tribometer. The results showed that the ion implantations would improve the nanohardness and tribological property, especially N ion implantation. The surface analysis of the implanted samples was carried out by using XRD, XPS and AES. It indicated that the surface exhibits graded layers after ion implantation. For N ion implantation, the surface about 20 nm thickness is mainly composed of supersaturated interstitial N solid solution, oxynitrides, CrxCy phase and metal nitrides. In the subsurface region, the metal nitrides dominate and the other phases disappear. For Ti ion implantation, the surface of about 20 nm thickness is mainly composed of titanium oxides and carbon amorphous phase, the interstitial solid solution of Ti in Fe is abundant in the subsurface region. The surface components and structures have significant contributions to the improved mechanical properties.

  3. Tribological properties and surface structures of ion implanted 9Cr18Mo stainless steels

    International Nuclear Information System (INIS)

    Fengbin, Liu; Guohao, Fu; Yan, Cui; Qiguo, Sun; Min, Qu; Yi, Sun

    2013-01-01

    The polished quenched-and-tempered 9Cr18Mo steels were implanted with N ions and Ti ions respectively at a fluence of 2 × 10 17 ions/cm 2 . The mechanical properties of the samples were investigated by using nanoindenter and tribometer. The results showed that the ion implantations would improve the nanohardness and tribological property, especially N ion implantation. The surface analysis of the implanted samples was carried out by using XRD, XPS and AES. It indicated that the surface exhibits graded layers after ion implantation. For N ion implantation, the surface about 20 nm thickness is mainly composed of supersaturated interstitial N solid solution, oxynitrides, Cr x C y phase and metal nitrides. In the subsurface region, the metal nitrides dominate and the other phases disappear. For Ti ion implantation, the surface of about 20 nm thickness is mainly composed of titanium oxides and carbon amorphous phase, the interstitial solid solution of Ti in Fe is abundant in the subsurface region. The surface components and structures have significant contributions to the improved mechanical properties

  4. Silver nanowire/polyaniline composite transparent electrode with improved surface properties

    International Nuclear Information System (INIS)

    Kumar, A.B.V. Kiran; Jiang, Jianwei; Bae, Chang Wan; Seo, Dong Min; Piao, Longhai; Kim, Sang-Ho

    2014-01-01

    Highlights: • AgNWs/PANI transparent electrode was prepared by layer-by-layer coating method. • The surface roughness of the electrode reached to 6.5 nm (root mean square). • The electrode had reasonable sheet resistance (25 Ω/□) and transmittance (83.5%). - Abstract: Silver nanowires (AgNWs) are as potential candidates to replace indium tin oxide (ITO) in transparent electrodes because of their preferred conducting and optical properties. However, their rough surface properties are not favorable for the fabrication of optoelectronic devices, such as displays and thin-film solar cells. In the present investigation, AgNWs/polyaniline composite transparent electrodes with better surface properties were successfully prepared. AgNWs were incorporated into polyaniline:polystyrene sulfonate (PANI:PSS) by layer-by-layer coating and mechanical pressing. PANI:PSS decreased the surface roughness of the AgNWs electrode by filling the gap of the random AgNWs network. The transparent composite electrode had decreased surface roughness (root mean square 6.5 nm) with reasonable sheet resistance (25 Ω/□) and transmittance (83.5%)

  5. Experimental Investigation of Surface Layer Properties of High Thermal Conductivity Tool Steel after Electrical Discharge Machining

    Directory of Open Access Journals (Sweden)

    Rafał Świercz

    2017-12-01

    Full Text Available New materials require the use of advanced technology in manufacturing complex shape parts. One of the modern materials widely used in the tool industry for injection molds or hot stamping dies is high conductivity tool steel (HTCS 150. Due to its hardness (55 HRC and thermal conductivity at 66 W/mK, this material is difficult to machine by conventional treatment and is being increasingly manufactured by nonconventional technology such as electrical discharge machining (EDM. In the EDM process, material is removed from the workpiece by a series of electrical discharges that cause changes to the surface layers properties. The final state of the surface layer directly influences the durability of the produced elements. This paper presents the influence of EDM process parameters: discharge current Ic and the pulse time ton on surface layer properties. The experimental investigation was carried out with an experimental methodology design. Surface layers properties including roughness 3D parameters, the thickness of the white layer, heat affected zone, tempered layer and occurring micro cracks were investigated and described. The influence of the response surface methodology (RSM of discharge current Ic and the pulse time ton on the thickness of the white layer and roughness parameters Sa, Sds and Ssc were described and established.

  6. Influence of the surface roughness on the fatigue properties in ausferritic ductile irons (ADI

    Directory of Open Access Journals (Sweden)

    Svenningsson Roger

    2014-06-01

    Full Text Available Heat treatment of cast ductile iron (DI to ausferritic ductile iron (ADI is known to increase fatigue properties. However, the surface roughness of the cast material is also of significant importance. In this investigation, test rods with seven different surface qualities were cast from the same melt i.e. with same chemical composition. The surfaces of the test rods were varied by a number of parameters; grain size of the moulding sand, coated or non-coated mould surfaces, as-cast or machined and polished, shot peened or not. In addition, a reference material in conventional DI was cast and tested. All eight series were subjected to high-cycle fatigue bending tests. The results show that surface defects, such as micro porosity and minor inclusions drastically decrease the fatigue properties. For some ADI materials the stress amplitude limit was actually lower compared to the non-heat treated DI. The machined, polished and shot-peened material demonstrated the best fatigue properties, which is as expected.

  7. Measurement of adhesion properties between topcoat paint and metallized/galvanized steel with surface energy measurement equipment.

    Science.gov (United States)

    2013-09-01

    The objectives of this research project are: (1) Compare the adhesion properties of NEPCOAT-approved topcoat paint over : metallized or galvanized steel. Use surface-energy measuring technique to characterize the wetting properties of the liqui...

  8. Improving surface functional properties of tofu whey-derived peptides by chemical modification with fatty acids.

    Science.gov (United States)

    Matemu, Athanasia Oswald; Katayama, Shigeru; Kayahara, Hisataka; Murasawa, Hisashi; Nakamura, Soichiro

    2012-04-01

    Effect of acylation with saturated fatty acids on surface functional properties of tofu whey-derived peptides was investigated. Tofu whey (TW) and soy proteins (7S, 11S, and acid-precipitated soy protein [APP]) were hydrolyzed by Protease M 'Amano' G, and resulting peptide mixtures were acylated with esterified fatty acids of different chain length (6C to 18C) to form a covalent linkage between the carboxyl group of fatty acid and the free amino groups of peptide. Acylation significantly (P properties of 7S, 11S, and APP peptides independent of fatty acid chain length. Acylation decreased water binding capacity although oil binding capacity of acylated tofu whey ultra filtered fraction (UFTW acids had shown significant higher surface hydrophobicity as in contrast with acylated UFTW acids can further affect functional properties of soy proteins. © 2012 Institute of Food Technologists®

  9. A Method to Simulate the Observed Surface Properties of Proton Irradiated Silicon Strip Sensors

    CERN Document Server

    INSPIRE-00335524; Bhardwaj, A.; Dalal, R.; Eber, R.; Eichhorn, T.; Lalwani, K.; Messineo, A.; Printz, M.; Ranjan, K.

    2015-04-23

    During the scheduled high luminosity upgrade of LHC, the world's largest particle physics accelerator at CERN, the position sensitive silicon detectors installed in the vertex and tracking part of the CMS experiment will face more intense radiation environment than the present system was designed for. To upgrade the tracker to required performance level, extensive measurements and simulations studies have already been carried out. A defect model of Synopsys Sentaurus TCAD simulation package for the bulk properties of proton irradiated devices has been producing simulations closely matching with measurements of silicon strip detectors. However, the model does not provide expected behavior due to the fluence increased surface damage. The solution requires an approach that does not affect the accurate bulk properties produced by the proton model, but only adds to it the required radiation induced properties close to the surface. These include the observed position dependency of the strip detector's charge collec...

  10. Spectral and physical properties of metal in meteorite assemblages - implications of asteroid surface materials

    International Nuclear Information System (INIS)

    Gaffey, M.J.

    1986-01-01

    One of the objectives of the present paper is related to a definition of the spectral contribution of the nickel-iron metal component in meteoritic assemblages. Another objective is the elucidation of the chemical, physical, and petrographic properties of the metal grains which affect the spectral signature in asteroid surface materials. It is pointed out that an improved understanding of the spectral and physical properties of metal in asteroid regoliths should permit an improved characterization of these objects, and, in particular, a better evaluation of the differentiated or undifferentiated nature of the S-type and M-type asteroids. Attention is given to the spectra of iron and nickel-iron metals, the spectral effects of metal in chondritic assemblages, the spectral reflectance of metal grains in ordinary chondrites, the nature of the surfaces of chondritic metal grains, the origin of coats on chondritic metal grains, and the fragmentation of metal on asteroid surfaces. 57 references

  11. Preparation of Artificial Skin that Mimics Human Skin Surface and Mechanical Properties.

    Science.gov (United States)

    Shimizu, Rana; Nonomura, Yoshimune

    2018-01-01

    We have developed an artificial skin that mimics the morphological and mechanical properties of human skin. The artificial skin comprises a polyurethane block possessing a microscopically rough surface. We evaluated the tactile sensations when skin-care cream was applied to the artificial skin. Many subjects perceived smooth, moist, and soft feels during the application process. Cluster analysis showed that these characteristic tactile feels are similar to those when skin-care cream is applied to real human skin. Contact angle analysis showed that an oil droplet spread smoothly on the artificial skin surface, which occurred because there were many grooves several hundred micrometers in width on the skin surface. In addition, when the skin-care cream was applied, the change in frictional force during the dynamic friction process increased. These wetting and frictional properties are important factors controlling the similarity of artificial skin to real human skin.

  12. Rotary bending fatigue properties of Inconel 718 alloys by ultrasonic nanocrystal surface modification technique

    Directory of Open Access Journals (Sweden)

    Jun-Hyong Kim

    2015-08-01

    Full Text Available This study investigates the influence of ultrasonic nanocrystal surface modification (UNSM technique on fatigue properties of SAE AMS 5662 (solution treatment of Inconel 718 alloys. The fatigue properties of the specimens were investigated using a rotary bending fatigue tester. Results revealed that the UNSM-treated specimens showed longer fatigue life in comparison with those of the untreated specimens. The improvement in fatigue life of the UNSM-treated specimens is attributed mainly to the induced compressive residual stress, increased hardness, reduced roughness and refined grains at the top surface. Fractured surfaces were analysed using a scanning electron microscopy (SEM in order to give insight into the effectiveness of UNSM technique on fracture mechanisms and fatigue life.

  13. THE SURFACE STRUCTURAL AND MECHANICAL PROPERTIES OF THE AMORPHOUS CO22Y54AL24 RIBBON

    Directory of Open Access Journals (Sweden)

    Anna Bukowska

    2013-09-01

    Full Text Available The aim of this study was to manufacture amorphous Co22Y54Al24 alloy in a form of thin ribbons and to investigate their properties. The investigated ribbons were prepared by rapid solidification of molten metal on a rotating copper cylinder (melt-spinning. In order to obtain the material with amorphous structure, the cooling rate of the liquid alloy should vary in a range from 104 to 106 K/s. The microstructure studies were performed using X-ray diffractometery. The mechanical properties were investigated by metallographic studies, micro-hardness and tribological resistance tests moreover the surface roughness profile were analyzed. All studies were performed for two sides of tapes, since the differences in ribbons surface, related with manufacturing process, are clearly visible. The surface from the bottom (drum side was glossy and from the top side it was shiny.

  14. Transport properties of high-temperature superconductors: Surface vs bulk effect

    International Nuclear Information System (INIS)

    Burlachkov, L.; Koshelev, A.E.; Vinokur, V.M.

    1996-01-01

    We investigate surface-related transport properties of high-temperature superconductors. We find the mean vortex velocity under applied transport current determined by the activation energies for vortex penetration and exit through the Bean-Livingston barrier. We determine the current distribution between the surfaces of superconductor and the field and current dependencies of the transport activation energies. For a three-dimensional superconductor the transport activation energy, U s 3D , is found to decrease with the external field, H, and transport current, J, as U s 3D ∝H -1/2 and U s 3D ∝J -1/2 , respectively. In the quasi-two-dimensional compounds, U s 2D decays logarithmically with field and current. The interplay between the surface and the bulk contributions to the transport properties, such as current-voltage characteristics, is discussed. copyright 1996 The American Physical Society

  15. Effect of Leaf Surface Chemical Properties on Efficacy of Sanitizer for Rotavirus Inactivation

    Science.gov (United States)

    Fuzawa, Miyu; Ku, Kang-Mo; Palma-Salgado, Sindy Paola; Nagasaka, Kenya; Feng, Hao; Juvik, John A.; Sano, Daisuke; Shisler, Joanna L.

    2016-01-01

    ABSTRACT The use of sanitizers is essential for produce safety. However, little is known about how sanitizer efficacy varies with respect to the chemical surface properties of produce. To answer this question, the disinfection efficacies of an oxidant-based sanitizer and a new surfactant-based sanitizer for porcine rotavirus (PRV) strain OSU were examined. PRV was attached to the leaf surfaces of two kale cultivars with high epicuticular wax contents and one cultivar of endive with a low epicuticular wax content and then treated with each sanitizer. The efficacy of the oxidant-based sanitizer correlated with leaf wax content as evidenced by the 1-log10 PRV disinfection on endive surfaces (low wax content) and 3-log10 disinfection of the cultivars with higher wax contents. In contrast, the surfactant-based sanitizer showed similar PRV disinfection efficacies (up to 3 log10) that were independent of leaf wax content. A statistical difference was observed with the disinfection efficacies of the oxidant-based sanitizer for suspended and attached PRV, while the surfactant-based sanitizer showed similar PRV disinfection efficacies. Significant reductions in the entry and replication of PRV were observed after treatment with either disinfectant. Moreover, the oxidant-based-sanitizer-treated PRV showed sialic acid-specific binding to the host cells, whereas the surfactant-based sanitizer increased the nonspecific binding of PRV to the host cells. These findings suggest that the surface properties of fresh produce may affect the efficacy of virus disinfection, implying that food sanitizers should be carefully selected for the different surface characteristics of fresh produce. IMPORTANCE Food sanitizer efficacies are affected by the surface properties of vegetables. This study evaluated the disinfection efficacies of two food sanitizers, an oxidant-based sanitizer and a surfactant-based sanitizer, on porcine rotavirus strain OSU adhering to the leaf epicuticular surfaces of

  16. Microstructural evolution and mechanical properties of Ti–Zr beta titanium alloy after laser surface remelting

    International Nuclear Information System (INIS)

    Yao, Y.; Li, X.; Wang, Y.Y.; Zhao, W.; Li, G.; Liu, R.P.

    2014-01-01

    Highlights: • The surface mechanical properties of the alloy have been greatly improved. • Its grain size was decreased from 100 μm to 10 μm. • The metastable ω with the size of 20–50 nm was observed in the alloy after LSR. • The strengthening effect is mainly due to fine microstructure and strengthened phase. -- Abstract: The effects of laser surface remelting (LSR) on the microstructural evolution and surface mechanical properties of Ti–Zr beta titanium alloy were investigated. The surfaces of the Ti–Zr alloy was re-melted using a CO 2 laser. X-ray diffraction, Scanning electron microscope, Transmission electron microscope, nanoindentation, and microhardness analyses were performed to evaluate the microstructural and mechanical properties of the alloy. The results showed that the alloy microstructure in the remelting region was greatly refined and homogeneous compared with that in the base material because of the rapid remelting and resolidifying. Meanwhile, the metastable hexagonal ω phases with the size of 20–50 nm was found and uniformly distributed throughout the β matrix after LSR. Phase transformation and microstructural refinement were the major microstructural changes in the alloys after LSR. The microhardness and elastic modulus in the remelted region clearly increased by 92.9% and 21.78%, respectively, compared with those in the region without laser processing. The strengthening effect of LSR on the mechanical properties of the Ti–Zr alloy was also addressed. Our results indicated that LSR was an effective method of improving the surface mechanical properties of alloys

  17. Sol-Gel Manufactured Energetic Materials

    Science.gov (United States)

    Simpson, Randall L.; Lee, Ronald S.; Tillotson, Thomas M.; Hrubesh, Lawrence W.; Swansiger, Rosalind W.; Fox, Glenn A.

    2005-05-17

    Sol-gel chemistry is used for the preparation of energetic materials (explosives, propellants and pyrotechnics) with improved homogeneity, and/or which can be cast to near-net shape, and/or made into precision molding powders. The sol-gel method is a synthetic chemical process where reactive monomers are mixed into a solution, polymerization occurs leading to a highly cross-linked three dimensional solid network resulting in a gel. The energetic materials can be incorporated during the formation of the solution or during the gel stage of the process. The composition, pore, and primary particle sizes, gel time, surface areas, and density may be tailored and controlled by the solution chemistry. The gel is then dried using supercritical extraction to produce a highly porous low density aerogel or by controlled slow evaporation to produce a xerogel. Applying stress during the extraction phase can result in high density materials. Thus, the sol-gel method can be used for precision detonator explosive manufacturing as well as producing precision explosives, propellants, and pyrotechnics, along with high power composite energetic materials.

  18. Energetics of bacterial adhesion

    International Nuclear Information System (INIS)

    Loosdrecht, M.C.M. van; Zehnder, A.J.B.

    1990-01-01

    For the description of bacterial adhesion phenomena two different physico-chemical approaches are available. The first one, based on a surface Gibbs energy balance, assumes intimate contact between the interacting surfaces. The second approach, based on colloid chemical theories (DLVO theory), allows for two types of adhesion: 1) secondary minimum adhesion, which is often weak and reversible, and 2) irreversible primary minimum adhesion. In the secondary minimum adhesion a thin water film remains present between the interacting surface. The merits of both approaches are discussed in this paper. In addition, the methods available to measure the physico-chemical surface characteristics of bacteria and the influence of adsorbing (in)organic compounds, extracellular polymers and cell surface appendages on adhesion are summarized. (author) 2 figs., 1 tab., 50 refs

  19. Surface Properties of Titanium dioxide and its Structural Modifications by Reactions with Transition Metals

    Science.gov (United States)

    Halpegamage, Sandamali

    Surfaces of metal oxides play a vital role in many technologically important applications. The surfaces of titanium dioxide, in particular, show quite promising properties that can be utilized in solid-state gas sensing and photocatalysis applications. In the first part of this dissertation we investigate these properties of TiO2 surfaces through a vigorous surface scientific approach. In the second part, we investigate the possibilities of modifying the TiO2 surfaces by depositing multi-component transition metal oxide monolayers so that the properties of bare TiO2 surface can be influenced in a beneficial way. For instance, via formation of new surface sites or cations that have different valance states, the chemisorption and catalytic properties can be modified. We use sophisticated experimental surface science techniques that are compatible with ultra-high vacuum technology for surface characterization. All the experimental results, except for the photocatalysis experiments, were compared to and verified by supporting DFT-based theoretical results produced by our theory collaborators. TiO2 based solid-state gas sensors have been used before for detecting trace amounts of explosives such as 2,4-dinitrololuene (DNT), a toxic decomposition product of the explosive 2,4,6-trinitrotoluene (TNT) that have very low vapor pressure. However, the adsorption, desorption and reaction mechanism were not well- understood. Here, we investigate 2,4-DNT adsorption on rutile-TiO2(110) surface in order to gain insight about these mechanisms in an atomistic level and we propose an efficient way of desorbing DNT from the surface through UV-light induced photoreactions. TiO2 exists in different polymorphs and the photocatalytic activity differs from one polymorph to another. Rutile and anatase are the most famous forms of TiO2 in photocatalysis and anatase is known to show higher activity than rutile. The photoactivity also varies depending on the surface orientation for the same

  20. Energetic policies 2005-2030

    International Nuclear Information System (INIS)

    2008-01-01

    This power point exhibition shows the following topics: energy analysis, production and use, supply and demand, consumption, energy sources, energetic prospective of Uruguay country, medium and long term perspectives.

  1. First-principle modelling of forsterite surface properties: Accuracy of methods and basis sets.

    Science.gov (United States)

    Demichelis, Raffaella; Bruno, Marco; Massaro, Francesco R; Prencipe, Mauro; De La Pierre, Marco; Nestola, Fabrizio

    2015-07-15

    The seven main crystal surfaces of forsterite (Mg2 SiO4 ) were modeled using various Gaussian-type basis sets, and several formulations for the exchange-correlation functional within the density functional theory (DFT). The recently developed pob-TZVP basis set provides the best results for all properties that are strongly dependent on the accuracy of the wavefunction. Convergence on the structure and on the basis set superposition error-corrected surface energy can be reached also with poorer basis sets. The effect of adopting different DFT functionals was assessed. All functionals give the same stability order for the various surfaces. Surfaces do not exhibit any major structural differences when optimized with different functionals, except for higher energy orientations where major rearrangements occur around the Mg sites at the surface or subsurface. When dispersions are not accounted for, all functionals provide similar surface energies. The inclusion of empirical dispersions raises the energy of all surfaces by a nearly systematic value proportional to the scaling factor s of the dispersion formulation. An estimation for the surface energy is provided through adopting C6 coefficients that are more suitable than the standard ones to describe O-O interactions in minerals. A 2 × 2 supercell of the most stable surface (010) was optimized. No surface reconstruction was observed. The resulting structure and surface energy show no difference with respect to those obtained when using the primitive cell. This result validates the (010) surface model here adopted, that will serve as a reference for future studies on adsorption and reactivity of water and carbon dioxide at this interface. © 2015 Wiley Periodicals, Inc.

  2. [Clinical and microbiological study regarding surface antibacterial properties of bioactive dental materials].

    Science.gov (United States)

    Târcă, T; Bădescu, Aida; Topoliceanu, C; Lăcătuşu, St

    2010-01-01

    In the new era of dentistry the coronal restoration materials must possess "bio-active" features represented by fluor ions release, chemical adhesion and antibacterial agents. Our study aims to determine the surface antibacterial properties of glassionomer cements and compomers. The study group included 64 patients with high cariogenic risk with 80 teeth with acute and chronic dental caries affecting proximal and occlusal dental surfaces. The teeth with cariogenic lesions were restored with zinc-oxide-eugenol (n=20), glassionomer cement GC Fuji Triage (n=20), glassionomer cement modified with resins Fuji II LC (n=20), compomer Dyract (n=20). DENTOCULT SM test (Orion Diagnostica, Finland) was used for bacterial analyses. The samples from bacterial biofilm were collected from the restorated dental surfaces (study group) and intact enamel surfaces (control group). The recorded data were processed using non-parametrical statistical tests. The lowest mean value of bacterial indices was recorded for glassionomer cement Fuji Triage (0.4), and Fuji II LC (1.2), material with highest surface antibacterial properties. The highest value (1.5) was recorded for compomer Dyract. The Kruskal-Wallis test proves the significant statistical differences between the three bioactive materials. The materials with bioactive features have the ability to inhibate the growth of Streptococcus mutans in bacterial biofilm to the surfaces of coronal restoration.

  3. Effect of the surface roughness on interfacial properties of carbon fibers reinforced epoxy resin composites

    International Nuclear Information System (INIS)

    Song Wei; Gu Aijuan; Liang Guozheng; Yuan Li

    2011-01-01

    The effect of the surface roughness on interfacial properties of carbon fibers (CFs) reinforced epoxy (EP) resin composite is studied. Aqueous ammonia was applied to modify the surfaces of CFs. The morphologies and chemical compositions of original CFs and treated CFs (a-CFs) were characterized by Atomic Force Microscopy (AFM), and X-ray Photoelectron Spectroscopy (XPS). Compared with the smooth surface of original CF, the surface of a-CF has bigger roughness; moreover, the roughness increases with the increase of the treating time. On the other hand, no obvious change in chemical composition takes place, indicating that the treating mechanism of CFs by aqueous ammonia is to physically change the morphologies rather than chemical compositions. In order to investigate the effect of surface roughness on the interfacial properties of CF/EP composites, the wettability and Interfacial Shear Strength (IFSS) were measured. Results show that with the increase of the roughness, the wettabilities of CFs against both water and ethylene glycol improves; in addition, the IFSS value of composites also increases. These attractive phenomena prove that the surface roughness of CFs can effectively overcome the poor interfacial adhesions between CFs and organic matrix, and thus make it possible to fabricate advanced composites based on CFs.

  4. Effect of surface stress state on dissolution property of Alloy 690 in simulated primary water condition

    International Nuclear Information System (INIS)

    Kim, Kyung Mo; Shim, Hee-Sang; Lee, Eun Hee; Seo, Myung Ji; Han, Jung Ho; Hur, Do Haeng

    2014-01-01

    The dissolution control of nickel is important to reduce the radioactive dose rate and deterioration of fuel performance in the operation of nuclear power plants (PWR). The corrosion properties are affected by the metal surface residual stress introduced in manufacture process such as work hardening. This work studied the effect of surface modification on the release rate of Alloy 690, nickel-base alloy for a steam generator tube, in the test condition of simulated primary water chemistry in PWRs. The surface stress modification was applied by the electro-polishing and shot peening method. Shot peening process was applied using ceramic beads with different intensities through the variation of air pressure. The corrosion release tests performed at 330degC with LiOH 2 ppm and H 3 BO 4 1200 ppm, DH(dissolved hydrogen) 35 cc/kg (STP) and about 20 ppb of DO(dissolved oxygen) condition. The corrosion release rate was evaluated by a gravimetric analysis method and the surface analysed by SEM and optical microscope. The surface residual stress was measured by an X-ray diffractometer, and the distribution of stress state was evaluated by a micro-hardness tester. The metal ion release rate of alloy 690 was evaluated from the influence of the stress state on the metal surface. The oxide property and structure was affected by the residual stress in the oxide layer. (author)

  5. Effect of surface texturing on friction properties of WC/Co cemented carbide

    International Nuclear Information System (INIS)

    Wu, Ze; Deng, Jianxin; Xing, Youqiang; Cheng, Hongwei; Zhao, Jun

    2012-01-01

    Highlights: ► Tribological properties of surface textured WC/Co cemented carbide were studied. ► Textured surfaces have better performance of antifriction and antiwear. ► Area density of textures has significant effect on tribological performance. -- Abstract: An experimental study was carried out to investigate the tribological properties of different surface textured WC/Co cemented carbide. The influence of applied load, sliding speed and area density of textures on frictional performance of surface textured patterns was investigated by Taguchi method. Results show that the textured surfaces filled with molybdenum disulfide solid lubricants can reduce the average friction coefficient, wear rates of Ti–6Al–4V alloy balls and adhesion of Ti–6Al–4V alloy materials on the worn track of cemented carbide compared with un-textured ones. Variance analysis of the experimental data indicates that the area density of textures plays major contribution of both average friction coefficient and wear rate of Ti–6Al–4V alloy balls. Higher area density of textures is beneficial to improve tribological performance of the cemented carbide samples. Sliding speed seems to have no effect on the tribological performance of textured surfaces within the reliability interval of 90%. Applied load has effect on both average friction coefficient and wear rate of Ti–6Al–4V alloy balls at the reliability interval of 95%.

  6. Surface structure and properties of functionalized nanodiamonds: a first-principles study

    International Nuclear Information System (INIS)

    Datta, Aditi; Kirca, Mesut; Fu Yao; To, Albert C

    2011-01-01

    The goal of this work is to gain fundamental understanding of the surface and internal structure of functionalized detonation nanodiamonds (NDs) using quantum mechanics based density functional theory (DFT) calculations. The unique structure of ND assists in the binding of different functional groups to its surface which in turn facilitates binding with drug molecules. The ability to comprehensively model the surface properties, as well as drug-ND interactions during functionalization, is a challenge and is the problem of our interest. First, the structure of NDs of technologically relevant size (∼5 nm) was optimized using classical mechanics based molecular mechanics simulations. Quantum mechanics based density functional theory (DFT) was then employed to analyse the properties of smaller relevant parts of the optimized cluster further to address the effect of functionalization on the stability of the cluster and reactivity at its surface. It is found that functionalization is preferred over reconstruction at the (100) surface and promotes graphitization in the (111) surface for NDs functionalized with the carbonyl oxygen (C = O) group. It is also seen that the edges of ND are the preferred sites for functionalization with the carboxyl group (-COOH) vis-a-vis the corners of ND.

  7. Surface structure and properties of functionalized nanodiamonds: a first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Datta, Aditi; Kirca, Mesut; Fu Yao; To, Albert C, E-mail: albertto@pitt.edu [Department of Mechanical Engineering and Materials Science and Department of Civil and Environmental Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States)

    2011-02-11

    The goal of this work is to gain fundamental understanding of the surface and internal structure of functionalized detonation nanodiamonds (NDs) using quantum mechanics based density functional theory (DFT) calculations. The unique structure of ND assists in the binding of different functional groups to its surface which in turn facilitates binding with drug molecules. The ability to comprehensively model the surface properties, as well as drug-ND interactions during functionalization, is a challenge and is the problem of our interest. First, the structure of NDs of technologically relevant size ({approx}5 nm) was optimized using classical mechanics based molecular mechanics simulations. Quantum mechanics based density functional theory (DFT) was then employed to analyse the properties of smaller relevant parts of the optimized cluster further to address the effect of functionalization on the stability of the cluster and reactivity at its surface. It is found that functionalization is preferred over reconstruction at the (100) surface and promotes graphitization in the (111) surface for NDs functionalized with the carbonyl oxygen (C = O) group. It is also seen that the edges of ND are the preferred sites for functionalization with the carboxyl group (-COOH) vis-a-vis the corners of ND.

  8. Influence of surface finish on fatigue properties of metallic materials: a bibliographic study

    International Nuclear Information System (INIS)

    Akamatsu, M.

    1997-01-01

    The investigation of a fatigue failed component very often shows that cracks initiated at the surface. It is actually well known that the surface finish notably influences the fatigue strength of a component. We have carried out a bibliographic study in order to clarify the influence of the different surface parameters. The analysis of the literature has shown that most of the data concerns high cycle fatigue. Three aspects of the surface finish have been examined: geometry (roughness), residual stresses and microstructure. In a general way, the influence of geometrical surface finish is tackled either empirically, with a factor assessing the fatigue limit decrease when the roughness and the tensile strength increase, or theoretically, with approaches modelling geometrical irregularities as notches or cracks. In all cases, the effect of roughness on fatigue strength depends on the material, through mechanical properties or microstructural features. The theoretical approaches seem particularly interesting, but their use is not straightforward and requires further development. The creation of residual stresses at the surface of a component can just as well reduce as improve its fatigue strength. In a first approach, these stresses can be regarded as a mean service stress. In fact, mechanical and metallurgical gradients near the surface have to be taken into account, which affect the relaxation of residual stresses during fatigue cycling. Actually, the effect of residual stresses can hardly be isolated, because these stresses are associated with geometrical and microstructural modifications. Microstructural features (metallurgical structure, grain size, inclusions, strain hardening) have an undoubted influence on fatigue strength, but the quantification of the effects remains tricky. The influence of the microstructure of surface layers on fatigue strength generally depends on the mechanical properties of materials. In short, fatigue strength predictions through a

  9. Altering textural properties of fermented milk by using surface-engineered Lactococcus lactis.

    Science.gov (United States)

    Tarazanova, Mariya; Huppertz, Thom; Kok, Jan; Bachmann, Herwig

    2018-05-09

    Lactic acid bacteria are widely used for the fermentation of dairy products. While bacterial acidification rates, proteolytic activity and the production of exopolysaccharides are known to influence textural properties of fermented milk products, little is known about the role of the microbial surface on microbe-matrix interactions in dairy products. To investigate how alterations of the bacterial cell surface affect fermented milk properties, 25 isogenic Lactococcus lactis strains that differed with respect to surface charge, hydrophobicity, cell chaining, cell-clumping, attachment to milk proteins, pili expression and EPS production were used to produce fermented milk. We show that overexpression of pili increases surface hydrophobicity of various strains from 3-19% to 94-99%. A profound effect of different cell surface properties was an altered spatial distribution of the cells in the fermented product. Aggregated cells tightly fill the cavities of the protein matrix, while chaining cells seem to be localized randomly. A positive correlation was found between pili overexpression and viscosity and gel hardness of fermented milk. Gel hardness also positively correlated with clumping of cells in the fermented milk. Viscosity of fermented milk was also higher when it was produced with cells with a chaining phenotype or with cells that overexpress exopolysaccharides. Our results show that alteration of cell surface morphology affects textural parameters of fermented milk and cell localization in the product. This is indicative of a cell surface-dependent potential of bacterial cells as structure elements in fermented foods. © 2018 The Authors. Microbial Biotechnology published by John Wiley & Sons Ltd and Society for Applied Microbiology.

  10. Impact of potassium and water on the electronic properties of InN(0001) surfaces

    International Nuclear Information System (INIS)

    Reiss, S.; Eisenhardt, A.; Krischok, S.; Himmerlich, M.

    2014-01-01

    In this work we investigate the interaction of potassium and water with 2 x 2 reconstructed InN(0001) surfaces prepared by plasma-assisted molecular beam epitaxy. The influence of adsorbate-substrate-interaction on surface properties is characterized in-situ by photoelectron spectroscopy. Potassium exposure leads to a strong reduction in the work function Φ to 1.6 eV revealing a charge transfer from the adsorbate to the InN surface. In parallel, a reduction of the surface downward band bending by 0.2 eV and hence a reduced electron accumulation density is observed. While interaction of water with clean InN(0001)-2 x 2 surfaces induces only minor changes in the surface band bending, water adsorption at potassium covered InN(0001) leads to a reversal of the K-induced reduction in surface band bending and a slight increase of Φ to 2.4 eV. These results show that surrounding water modifies the interaction of potassium with InN(0001) surfaces. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. Modification of epoxy resin, silicon and glass surfaces with alkyl- or fluoroalkylsilanes for hydrophobic properties

    International Nuclear Information System (INIS)

    Marczak, Jacek; Kargol, Marta; Psarski, Maciej; Celichowski, Grzegorz

    2016-01-01

    Graphical abstract: - Highlights: • Chemical structure of alkylsilanes and fluoroalkylsilanes can affect the hydrophobic and surface performance of the modified samples. • Wet chemical hydrophobization is relatively simple and inexpensive method to obtain hydrophobic/superhydrophobic coatings. • The samples degradation is not observed and hydrophobic coatings seem to be stable in UV light. - Abstract: Preparation of superhydrophobic materials inspired by nature has attracted a great scientific interest in recent decades. Some of these materials have hierarchical lotus-like structures, i.e. micro- and nano-objects coated by hydrophobic compounds. A major challenge of applying the superhydrophobic surfaces for the self-cleaning coatings preparation is their improved efficiency in varying atmospheric conditions, e.g. UV light. The objective of this research work was to investigate the effect of the different chemical structure and the surface free energy on the hydrophobic and tribological properties of the alkylsilanes and fluoroalkylsilanes deposited on silicon wafers, glass slides and epoxy resin. Tribological and hydrophobic properties of the modified surfaces were correlated with their chemical structures. Chemical structures of the deposited materials were examined by using Fourier transform infrared (FT-IR) spectroscopy and hydrophobic properties were investigated by water contact angle (WCA) and surface free energy (SFE) measurements. The modified surfaces exhibited water contact angles of above 100° for the selected modifiers. It was noticed that the replacement of hydrogen atoms by fluorine atoms in alkyl chain caused an increase in the water contact angle values and a decrease in friction coefficients. The obtained results showed that the carbon chain length of a modifier and its chemical structure can strongly affect the hydrophobic and tribological properties of the modified surfaces. The highest values of WCA, lowest values of SFE and coefficient

  12. Radiation properties modeling for plasma-sprayed-alumina-coated rough surfaces for spacecrafts

    International Nuclear Information System (INIS)

    Li, R.M.; Joshi, Sunil C.; Ng, H.W.

    2006-01-01

    Spacecraft thermal control materials (TCMs) play a vital role in the entire service life of a spacecraft . Most of the conventional TCMs degrade in the harmful space environment . In the previous study, plasma sprayed alumina (PSA) coating was established as a new and better TCM for spacecrafts, in view of its stability and reliability compared to the traditional TCMs . During the investigation, the surface roughness of PSA was found important, because the roughness affects the radiative heat exchange between the surface and its surroundings. Parameters such as root-mean-square roughness cannot properly evaluate surface roughness effects on radiative properties of opaque surfaces . Some models have been developed earlier to predict the effects, such as Davies' model , Tang and Buckius's statistical geometric optics model . However, they are valid only in their own specific situations. In this paper, an energy absorption geometry model was developed and applied to investigate the roughness effects with the help of 2D surface profile of PSA coated substrate scanned at micron level. This model predicts effective normal solar absorptance (α ne ) and effective hemispherical infrared emittance (ε he ) of a rough PSA surface. These values, if used in the heat transfer analysis of an equivalent, smooth and optically flat surface, lead to the prediction of the same rate of heat exchange and temperature as that of for the rough PSA surface. The model was validated through comparison between a smooth and a rough PSA coated surfaces. Even though not tested for other types of materials, the model formulation is generic and can be used to incorporate the rough surface effects for other types of thermal coatings, provided the baseline values of normal solar absorptance (α n ) and hemispherical infrared emittance (ε h ) are available for a generic surface of the same material

  13. CH-π Interaction Driven Macroscopic Property Transition on Smart Polymer Surface

    Science.gov (United States)

    Li, Minmin; Qing, Guangyan; Xiong, Yuting; Lai, Yuekun; Sun, Taolei

    2015-10-01

    Life systems have evolved to utilize weak noncovalent interactions, particularly CH-π interaction, to achieve various biofunctions, for example cellular communication, immune response, and protein folding. However, for artificial materials, it remains a great challenge to recognize such weak interaction, further transform it into tunable macroscopic properties and realize special functions. Here we integrate monosaccharide-based CH-π receptor capable of recognizing aromatic peptides into a smart polymer with three-component “Recognition-Mediating-Function” design, and report the CH-π interaction driven surface property switching on smart polymer film, including wettability, adhesion, viscoelasticity and stiffness. Detailed studies indicate that, the CH-π interaction induces the complexation between saccharide unit and aromatic peptide, which breaks the initial amphiphilic balance of the polymer network, resulting in contraction-swelling conformational transition for polymer chains and subsequent dramatic switching in surface properties. This work not only presents a new approach to control the surface property of materials, but also points to a broader research prospect on CH-π interaction at a macroscopic level.

  14. The monodromy property for K3 surfaces allowing a triple-point-free model

    DEFF Research Database (Denmark)

    Jaspers, Annelies Kristien J

    2017-01-01

    The aim of this thesis is to study under which conditions K3 surfaces allowing a triple-point-free model satisfy the monodromy property. This property is a quantitative relation between the geometry of the degeneration of a Calabi-Yau variety X and the monodromy action on the cohomology of...... X: a Calabi- Yau variety X satisfies the monodromy property if poles of the motivic zeta function ZX,ω(T) induce monodromy eigenvalues on the cohomology of X. Let k be an algebraically closed field of characteristic 0, and set K = k((t)). In this thesis, we focus on K3 surfaces over K allowing a triple-point...... is very precise, which allows to use a combination of geometrical and combinatorial techniques to check the monodromy property in practice. The first main result is an explicit computation of the poles of ZX,ω(T) for a K3 surface X allowing a triple-point-free model and a volume form ! on X. We show that...

  15. Nanomechanical properties of hydroxyapatite (HAP) with DAB dendrimers (poly-propylene imine) coatings onto titanium surfaces

    International Nuclear Information System (INIS)

    Charitidis, Costas A.; Skarmoutsou, Amalia; Tsetsekou, Athena; Brasinika, Despina; Tsiourvas, Dimitris

    2013-01-01

    Highlights: ► The synthesis of hydroxyapatite (HAP) nanoparticles in the presence of a cationic fourth generation diaminobutane poly(propylene imine) dendrimer (DAB). ► The nanomechanical properties of different HAP-DAB coatings onto titanium surfaces. ► Wear resistance and adhesion properties of the synthesized coatings quantified by nanoindentation data analysis. -- Abstract: Coatings of hydroxyapatite (HAP) nanorods onto titanium surfaces were synthesized with the aim to improve coatings’ mechanical properties and adhesion to the substrate. The coatings are consisting of HAP nanorods synthesized in the presence of a cationic fourth generation diaminobutane poly(propylene imine) dendrimer (DAB) bearing 32 amine end groups employing varying calcium: dendrimer ratios and varying hydrothermal treatments. The quality, surface morphology and structure of the coatings were characterized with X-ray diffraction, thermogravimetric analysis, scanning electron microscopy and energy dispersive microanalysis. Wear resistance and adhesion properties of the coatings onto titanium substrates were studied through nanoindentation analysis. The experimental conditions, namely the calcium: dendrimer molar ratio and the hydrothermal treatment temperature were carefully selected; thus, it was possible to produce coatings of high hardness and elastic modulus values (ranging between 1–4.5 GPa and 40–150 GPa, respectively) and/or high wear resistance and plastic deformation values

  16. Effect of ion irradiation on the surface, structural and mechanical properties of brass

    Science.gov (United States)

    Ahmad, Shahbaz; Bashir, Shazia; Ali, Nisar; Umm-i-Kalsoom; Yousaf, Daniel; Faizan-ul-Haq; Naeem, Athar; Ahmad, Riaz; Khlaeeq-ur-Rahman, M.

    2014-04-01

    Modifications to the surface, structural and mechanical properties of brass after ion irradiation have been investigated. Brass targets were bombarded by carbon ions of 2 MeV energy from a Pelletron linear accelerator for various fluences ranging from 56 × 1012 to 26 × 1013 ions/cm2. A scanning electron microscope and X-ray diffractometer were utilized to analyze the surface morphology and crystallographic structure respectively. To explore the mechanical properties e.g., yield stress, ultimate tensile strength and microhardness of irradiated brass, an universal tensile testing machine and Vickers microhardness tester were used. Scanning electron microscopy results revealed an irregular and randomly distributed sputter morphology for a lower ion fluence. With increasing ion fluence, the incoherently shaped structures were transformed into dendritic structures. Nano/micro sized craters and voids, along with the appearance of pits, were observed at the maximum ion fluence. From X-ray diffraction results, no new phases were observed to be formed in the brass upon irradiation. However, a change in the peak intensity and higher and lower angle shifting were observed, which represents the generation of ion-induced defects and stresses. Analyses confirmed modifications in the mechanical properties of irradiated brass. The yield stress, ultimate tensile strength and hardness initially decreased and then increased with increasing ion fluence. The changes in the mechanical properties of irradiated brass are well correlated with surface and crystallographic modifications and are attributed to the generation, augmentation, recombination and annihilation of the ion-induced defects.

  17. Sialic acid-triggered macroscopic properties switching on a smart polymer surface

    Science.gov (United States)

    Xiong, Yuting; Li, Minmin; Wang, Hongxi; Qing, Guangyan; Sun, Taolei

    2018-01-01

    Constructing smart surfaces with responsive polymers capable of dynamically and reversibly changing their chemical and physical properties by responding to the recognition of biomolecules remains a challenging task. And, the key to achieving this purpose relies on the design of polymers to precisely interact with the target molecule and successfully transform the interaction signal into tunable macroscopic properties, further achieve special bio-functions. Herein, inspired by carbohydrate-carbohydrate interaction (CCI) in life system, we developed a three-component copolymer poly(NIPAAm-co-PT-co-Glc) bearing a binding unit glucose (Glc) capable of recognizing sialic acid, a type of important molecular targets for cancer diagnosis and therapy, and reported the sialic acid triggered macroscopic properties switching on this smart polymer surface. Detailed mechanism studies indicated that multiple hydrogen bonding interactions between Glc unit and Neu5Ac destroyed the initial hydrogen bond network of the copolymer, leading to a reversible "contraction-to-swelling" conformational transition of the copolymer chains, accompanied with distinct macroscopic property switching (i.e., surface wettability, morphology, stiffness) of the copolymer film. And these features enabled this copolymer to selectively capture sialic acid-containing glycopeptides from complex protein samples. This work provides an inspiration for the design of novel smart polymeric materials with sensitive responsiveness to sialic acid, which would promote the development of sialic acid-specific bio-devices and drug delivery systems.

  18. Nanomechanical properties of hydroxyapatite (HAP) with DAB dendrimers (poly-propylene imine) coatings onto titanium surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Charitidis, Costas A., E-mail: charitidis@chemeng.ntua.gr [School of Chemical Engineering, National Technical University of Athens, Iroon Polytechniou, Zografou, 15780 Athens (Greece); Skarmoutsou, Amalia [School of Chemical Engineering, National Technical University of Athens, Iroon Polytechniou, Zografou, 15780 Athens (Greece); Tsetsekou, Athena; Brasinika, Despina [School of Mining Engineering and Metallurgy, National Technical University of Athens, Iroon Polytechniou, Zografou, 15780 Athens (Greece); Tsiourvas, Dimitris [National Centre for Scientific Research “Demokritos”, Institute of Physical Chemistry, Agia Paraskevi, 15310 Athens (Greece)

    2013-04-20

    Highlights: ► The synthesis of hydroxyapatite (HAP) nanoparticles in the presence of a cationic fourth generation diaminobutane poly(propylene imine) dendrimer (DAB). ► The nanomechanical properties of different HAP-DAB coatings onto titanium surfaces. ► Wear resistance and adhesion properties of the synthesized coatings quantified by nanoindentation data analysis. -- Abstract: Coatings of hydroxyapatite (HAP) nanorods onto titanium surfaces were synthesized with the aim to improve coatings’ mechanical properties and adhesion to the substrate. The coatings are consisting of HAP nanorods synthesized in the presence of a cationic fourth generation diaminobutane poly(propylene imine) dendrimer (DAB) bearing 32 amine end groups employing varying calcium: dendrimer ratios and varying hydrothermal treatments. The quality, surface morphology and structure of the coatings were characterized with X-ray diffraction, thermogravimetric analysis, scanning electron microscopy and energy dispersive microanalysis. Wear resistance and adhesion properties of the coatings onto titanium substrates were studied through nanoindentation analysis. The experimental conditions, namely the calcium: dendrimer molar ratio and the hydrothermal treatment temperature were carefully selected; thus, it was possible to produce coatings of high hardness and elastic modulus values (ranging between 1–4.5 GPa and 40–150 GPa, respectively) and/or high wear resistance and plastic deformation values.

  19. Rough surface electrical contact resistance considering scale dependent properties and quantum effects

    International Nuclear Information System (INIS)

    Jackson, Robert L.; Crandall, Erika R.; Bozack, Michael J.

    2015-01-01

    The objective of this work is to evaluate the effect of scale dependent mechanical and electrical properties on electrical contact resistance (ECR) between rough surfaces. This work attempts to build on existing ECR models that neglect potentially important quantum- and size-dependent contact and electrical conduction mechanisms present due to the asperity sizes on typical surfaces. The electrical conductance at small scales can quantize or show a stepping trend as the contact area is varied in the range of the free electron Fermi wavelength squared. This work then evaluates if these effects remain important for the interface between rough surfaces, which may include many small scale contacts of varying sizes. The results suggest that these effects may be significant in some cases, while insignificant for others. It depends on the load and the multiscale structure of the surface roughness

  20. Modification of implant material surface properties by means of oxide nano-structured coatings deposition

    Science.gov (United States)

    Safonov, Vladimir; Zykova, Anna; Smolik, Jerzy; Rogowska, Renata; Lukyanchenko, Vladimir; Kolesnikov, Dmitrii

    2014-08-01

    The deposition of functional coatings on the metal surface of artificial joints is an effective way of enhancing joint tribological characteristics. It is well-known that nanostructured oxide coatings have specific properties advantageous for future implant applications. In the present study, we measured the high hardness parameters, the adhesion strength and the low friction coefficient of the oxide magnetron sputtered coatings. The corrosion test results show that the oxide coating deposition had improved the corrosion resistance by a factor of ten for both stainless steel and titanium alloy substrates. Moreover, the hydrophilic nature of coated surfaces in comparison with the metal ones was investigated in the tensiometric tests. The surfaces with nanostructured oxide coatings demonstrated improved biocompatibility for in vitro and in vivo tests, attributed to the high dielectric constants and the high values of the surface free energy parameters.