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Sample records for crystallization activation energies

  1. Dynamic Diffraction Studies on the Crystallization, Phase Transformation, and Activation Energies in Anodized Titania Nanotubes.

    Science.gov (United States)

    Albetran, Hani; Vega, Victor; Prida, Victor M; Low, It-Meng

    2018-02-23

    The influence of calcination time on the phase transformation and crystallization kinetics of anodized titania nanotube arrays was studied using in-situ isothermal and non-isothermal synchrotron radiation diffraction from room temperature to 900 °C. Anatase first crystallized at 400 °C, while rutile crystallized at 550 °C. Isothermal heating of the anodized titania nanotubes by an increase in the calcination time at 400, 450, 500, 550, 600, and 650 °C resulted in a slight reduction in anatase abundance, but an increase in the abundance of rutile because of an anatase-to-rutile transformation. The Avrami equation was used to model the titania crystallization mechanism and the Arrhenius equation was used to estimate the activation energies of the titania phase transformation. Activation energies of 22 (10) kJ/mol for the titanium-to-anatase transformation, and 207 (17) kJ/mol for the anatase-to-rutile transformation were estimated.

  2. Dynamic Diffraction Studies on the Crystallization, Phase Transformation, and Activation Energies in Anodized Titania Nanotubes

    Directory of Open Access Journals (Sweden)

    Hani Albetran

    2018-02-01

    Full Text Available The influence of calcination time on the phase transformation and crystallization kinetics of anodized titania nanotube arrays was studied using in-situ isothermal and non-isothermal synchrotron radiation diffraction from room temperature to 900 °C. Anatase first crystallized at 400 °C, while rutile crystallized at 550 °C. Isothermal heating of the anodized titania nanotubes by an increase in the calcination time at 400, 450, 500, 550, 600, and 650 °C resulted in a slight reduction in anatase abundance, but an increase in the abundance of rutile because of an anatase-to-rutile transformation. The Avrami equation was used to model the titania crystallization mechanism and the Arrhenius equation was used to estimate the activation energies of the titania phase transformation. Activation energies of 22 (10 kJ/mol for the titanium-to-anatase transformation, and 207 (17 kJ/mol for the anatase-to-rutile transformation were estimated.

  3. Quantum theoretical calculations of activation energies for the mass transfer at phase boundaries of ionic crystals. 4

    International Nuclear Information System (INIS)

    Winzer, A.

    1978-01-01

    It is shown that a direct proportionality exists between the activation energy for the mass transfer at the respective crystal faces of ionic crystals and the frequency of the phonones (longitudinal-optical), Planck's constant being found once more as a proportionality constant. Thus it could be demonstrated that the different activation energies measured at different time intervals for the mass transfer processes at phase boundaries of ionic crystals can be attributed to the specific growth of the crystal faces. Thus, NaCl crystal fractions which were mechanically stressed (pulverized and sifted) and consequently contained a great amount of [111]- and [110]-faces, respectively, experimentally yielded an activation energy which agrees with the values determined by quantum theory when the frequency of propagation of the phonons is inserted into a derived equation. This relation was also confirmed by NaCl crystal fractions predominantly containing cubic faces. This also indicates that in mass transfer processes on phase boundaries of ionic crystals quantum mechanical laws are of importance. (author)

  4. Active Photonic Crystal Waveguides

    DEFF Research Database (Denmark)

    Ek, Sara

    This thesis deals with the fabrication and characterization of active photonic crystal waveguides, realized in III-V semiconductor material with embedded active layers. The platform offering active photonic crystal waveguides has many potential applications. One of these is a compact photonic...... due to photonic crystal dispersion. The observations are explained by the enhancement of net gain by light slow down. Another application based on active photonic crystal waveguides is micro lasers. Measurements on quantum dot micro laser cavities with different mirror configurations and photonic...

  5. Determination of the activation energy of A-center in the uniaxially deformed n-Ge single crystals

    Directory of Open Access Journals (Sweden)

    S. V. Luniov

    2017-08-01

    Full Text Available Based on the decisions of electroneutrality equation and experimental results of measurements of the piezo-Hall-effect the dependences of activation energy of the deep level A-center depending on the uniaxial pressure along the crystallographic directions [100], [110] and [111] for n-Ge single crystals, irradiated by the electrons with energy 10 MeV are obtained. Using the method of least squares approximational polynomials for the calculation of these dependences are obtained. It is shown that the activation energy of A-center deep level decreases linearly for the entire range of uniaxial pressure along the crystallographic direction [100]. For the cases of uniaxial deformation along the crystallographic directions [110] and [111] decrease of the activation energy according to the linear law is observed only at high uniaxial pressures, when the A-center deep level interacts with the minima of the germanium conduction band, which proved the lower at the deformation. The various dependences of the activation energy of A-center depending on the orientation of the axis of deformation may be connected with features of its microstructure.

  6. Dynamic Diffraction Studies on the Crystallization, Phase Transformation, and Activation Energies in Anodized Titania Nanotubes

    OpenAIRE

    Hani Albetran; Victor Vega; Victor M. Prida; It-Meng Low

    2018-01-01

    The influence of calcination time on the phase transformation and crystallization kinetics of anodized titania nanotube arrays was studied using in-situ isothermal and non-isothermal synchrotron radiation diffraction from room temperature to 900 °C. Anatase first crystallized at 400 °C, while rutile crystallized at 550 °C. Isothermal heating of the anodized titania nanotubes by an increase in the calcination time at 400, 450, 500, 550, 600, and 650 °C resulted in a slight reduction in anatase...

  7. High-energy azimuthally polarized laser beam generation from an actively Q-switched Nd:YAG laser with c-cut YVO4 crystal

    Science.gov (United States)

    Guo, Jing; Zhang, Baofu; Jiao, Zhongxing; He, Guangyuan; Wang, Biao

    2018-05-01

    A high-energy, azimuthally polarized (AP) and actively Q-switched Nd:YAG laser is demonstrated. The thermal bipolar lensing effect in the Nd:YAG laser rod is used as a polarization discriminator, and a c-cut YVO4 crystal is inserted into the laser cavity to increase the mode-selecting ability of the cavity for AP mode. The laser generated AP pulses with maximum pulse energy as high as 4.2 mJ. To the best of our knowledge, this is the highest pulse energy obtained from an actively Q-switched AP laser. The pulse energy remained higher than 1 mJ over a wide range of repetition rates from 5 kHz to 25 kHz.

  8. Crystal collimator systems for high energy frontier

    Science.gov (United States)

    Sytov, A. I.; Tikhomirov, V. V.; Lobko, A. S.

    2017-07-01

    Crystalline collimators can potentially considerably improve the cleaning performance of the presently used collimator systems using amorphous collimators. A crystal-based collimation scheme which relies on the channeling particle deflection in bent crystals has been proposed and extensively studied both theoretically and experimentally. However, since the efficiency of particle capture into the channeling regime does not exceed ninety percent, this collimation scheme partly suffers from the same leakage problems as the schemes using amorphous collimators. To improve further the cleaning efficiency of the crystal-based collimation system to meet the requirements of the FCC, we suggest here a double crystal-based collimation scheme, to which the second crystal is introduced to enhance the deflection of the particles escaping the capture to the channeling regime in its first crystal. The application of the effect of multiple volume reflection in one bent crystal and of the same in a sequence of crystals is simulated and compared for different crystal numbers and materials at the energy of 50 TeV. To enhance also the efficiency of use of the first crystal of the suggested double crystal-based scheme, we propose: the method of increase of the probability of particle capture into the channeling regime at the first crystal passage by means of fabrication of a crystal cut and the method of the amplification of nonchanneled particle deflection through the multiple volume reflection in one bent crystal, accompanying the particle channeling by a skew plane. We simulate both of these methods for the 50 TeV FCC energy.

  9. Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.

    Science.gov (United States)

    Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena

    2018-02-28

    Photomechanically reconfigurable elastic single crystals are the key elements for contactless, timely controllable and spatially resolved transduction of light into work from the nanoscale to the macroscale. The deformation in such single-crystal actuators is observed and usually attributed to anisotropy in their structure induced by the external stimulus. Yet, the actual intrinsic and external factors that affect the mechanical response remain poorly understood, and the lack of rigorous models stands as the main impediment towards benchmarking of these materials against each other and with much better developed soft actuators based on polymers, liquid crystals and elastomers. Here, experimental approaches for precise measurement of macroscopic strain in a single crystal bent by means of a solid-state transformation induced by light are developed and used to extract the related temperature-dependent kinetic parameters. The experimental results are compared against an overarching mathematical model based on the combined consideration of light transport, chemical transformation and elastic deformation that does not require fitting of any empirical information. It is demonstrated that for a thermally reversible photoreactive bending crystal, the kinetic constants of the forward (photochemical) reaction and the reverse (thermal) reaction, as well as their temperature dependence, can be extracted with high accuracy. The improved kinematic model of crystal bending takes into account the feedback effect, which is often neglected but becomes increasingly important at the late stages of the photochemical reaction in a single crystal. The results provide the most rigorous and exact mathematical description of photoinduced bending of a single crystal to date.

  10. Crystal Nucleation Using Surface-Energy-Modified Glass Substrates.

    Science.gov (United States)

    Nordquist, Kyle A; Schaab, Kevin M; Sha, Jierui; Bond, Andrew H

    2017-08-02

    Systematic surface energy modifications to glass substrates can induce nucleation and improve crystallization outcomes for small molecule active pharmaceutical ingredients (APIs) and proteins. A comparatively broad probe for function is presented in which various APIs, proteins, organic solvents, aqueous media, surface energy motifs, crystallization methods, form factors, and flat and convex surface energy modifications were examined. Replicate studies ( n ≥ 6) have demonstrated an average reduction in crystallization onset times of 52(4)% (alternatively 52 ± 4%) for acetylsalicylic acid from 91% isopropyl alcohol using two very different techniques: bulk cooling to 0 °C using flat surface energy modifications or microdomain cooling to 4 °C from the interior of a glass capillary having convex surface energy modifications that were immersed in the solution. For thaumatin and bovine pancreatic trypsin, a 32(2)% reduction in crystallization onset times was demonstrated in vapor diffusion experiments ( n ≥ 15). Nucleation site arrays have been engineered onto form factors frequently used in crystallization screening, including microscope slides, vials, and 96- and 384-well high-throughput screening plates. Nucleation using surface energy modifications on the vessels that contain the solutes to be crystallized adds a layer of useful variables to crystallization studies without requiring significant changes to workflows or instrumentation.

  11. Application of PWO crystals for detection of low-activity gamma- radiation in the energy range above 3 MeV

    CERN Document Server

    Drobychev, G Yu; Fedorov, A A; Khruschinsky, A A; Korjik, M V; Lecoq, P; Missevitch, O V; 10.1016/j.nima.2004.08.059

    2005-01-01

    Lead tungstate PbWO4 (PWO) scintillator was developed during the R&D project initiated in a frame of preparation of experiments in high- energy physics to be carried out at new generation of colliders like LHC (CERN, Geneva, Switzerland). Compared to other promising fast and dense scintillators, PWO is an optimal compromise to make a very compact detector with good performance and the best price/performance ratio. Moreover, the results of PWO development carried out by the INP team together with collaborators show that scintillation parameters of PWO crystals can be further modified, which significantly extends opportunities of PWO application. One such field where an application of PWO scintillator can be very advantageous is a detection of low-activity gamma-radiation in the energy range above 3 MeV. Application of heavy scintillator allows to decrease a detector volume and therefore to reduce background. According to our preliminary estimations, PWO scintillation crystal will allow to reach significant...

  12. Semiempirical equations for modeling solid-state kinetics based on a Maxwell-Boltzmann distribution of activation energies: applications to a polymorphic transformation under crystallization slurry conditions and to the thermal decomposition of AgMnO4 crystals.

    Science.gov (United States)

    Skrdla, Peter J; Robertson, Rebecca T

    2005-06-02

    Many solid-state reactions and phase transformations performed under isothermal conditions give rise to asymmetric, sigmoidally shaped conversion-time (x-t) profiles. The mathematical treatment of such curves, as well as their physical interpretation, is often challenging. In this work, the functional form of a Maxwell-Boltzmann (M-B) distribution is used to describe the distribution of activation energies for the reagent solids, which, when coupled with an integrated first-order rate expression, yields a novel semiempirical equation that may offer better success in the modeling of solid-state kinetics. In this approach, the Arrhenius equation is used to relate the distribution of activation energies to a corresponding distribution of rate constants for the individual molecules in the reagent solids. This distribution of molecular rate constants is then correlated to the (observable) reaction time in the derivation of the model equation. In addition to providing a versatile treatment for asymmetric, sigmoidal reaction curves, another key advantage of our equation over other models is that the start time of conversion is uniquely defined at t = 0. We demonstrate the ability of our simple, two-parameter equation to successfully model the experimental x-t data for the polymorphic transformation of a pharmaceutical compound under crystallization slurry (i.e., heterogeneous) conditions. Additionally, we use a modification of this equation to model the kinetics of a historically significant, homogeneous solid-state reaction: the thermal decomposition of AgMnO4 crystals. The potential broad applicability of our statistical (i.e., dispersive) kinetic approach makes it a potentially attractive alternative to existing models/approaches.

  13. Absolute spectroscopy of activated ionic crystals

    International Nuclear Information System (INIS)

    Kuketaev, T.A.

    1999-01-01

    Researches on potassium chlorides activated by one-valency ions of copper and silver are carried out. It was shown, that electron recombination photoluminescence is brought about by photoexcitation. It was established, that impurities excitation de-locates in the result of ionization. The particular mechanism of activator's ions ionization is defining by temperature dependence of recombination luminescence. In case of autoionization the luminescence yield does not depends from temperature. During excitation of KCl-Cu, NaCl-Ag, KCl-Ag crystals by photons with energies of 6.1, 5.9 and 6.3 eV, relatively, the recombination luminescence light sum increase. That is explained as direct manifestation of thermal ionization of these excitations, which freeze under lowered irradiation temperature. Experimental data evident that excited centers ionization takes place after equilibrium distribution of centers setting by oscillation levels of this electron state. Therefore energy of thermal ionization of exited center corresponds to energy gap of excited impurity center relaxation equation with bottom of conductivity zone. After definition of relaxation excited electron state of impurity ions relatively conductivity bottom zone a possibility for evaluation of activator's levels position with precision to ground state energy relaxation opens. For potassium chlorides activated by copper and silver ions the assessment shows that ground levels of impurity ions are situating within zone of forbidden energies on 2-2.6 eV higher than ceiling of valency zone

  14. Energy flow in photonic crystal waveguides

    DEFF Research Database (Denmark)

    Søndergaard, Thomas; Dridi, Kim

    2000-01-01

    Theoretical and numerical investigations of energy flow in photonic crystal waveguides made of line defects and branching points are presented. It is shown that vortices of energy flow may occur, and the net energy flow along: the line defect is described via the effective propagation velocity....... Single-mode and multimode operations are studied, and dispersion relations are computed for different waveguide widths. Both strong positive, strong negative, and zero dispersion an possible. It is shown that geometric parameters such as the nature of the lattice, the line defect orientation, the defect...... width, and the branching-point geometry have a significant influence on the electrodynamics. These are important issues for the fabrication of photonic crystal structures....

  15. Activation Energy

    Science.gov (United States)

    Gadeken, Owen

    2002-01-01

    Teaming is so common in today's project management environment that most of us assume it comes naturally. We further assume that when presented with meaningful and challenging work, project teams will naturally engage in productive activity to complete their tasks. This assumption is expressed in the simple (but false) equation: Team + Work = Teamwork. Although this equation appears simple and straightforward, it is far from true for most project organizations whose reality is a complex web of institutional norms based on individual achievement and rewards. This is illustrated by the very first successful team experience from my early Air Force career. As a young lieutenant, I was sent to Squadron Officer School, which was the first in the series of Air Force professional military education courses I was required to complete during my career. We were immediately formed into teams of twelve officers. Much of the course featured competition between these teams. As the most junior member of my team, I quickly observed the tremendous pressure to show individual leadership capability. At one point early in the course, almost everyone in our group was vying to become the team leader. This conflict was so intense that it caused us to fail miserably in our first outdoor team building exercise. We spent so much time fighting over leadership that we were unable to complete any of the events on the outdoor obstacle course. This complete lack of success was so disheartening to me that I gave our team little hope for future success. What followed was a very intense period of bickering, conflict, and even shouting matches as our dysfunctional team tried to cope with our early failures and find some way to succeed. British physician and researcher Wilfred Bion (Experiences in Groups, 1961) discovered that there are powerful psychological forces inherent in all groups that divert from accomplishing their primary tasks. To overcome these restraining forces and use the potential

  16. Nano crystals-Related Synthesis, Assembly, and Energy Applications

    International Nuclear Information System (INIS)

    Dai, Q.; Hu, M.Z.; Yu, B.Z.; William, W.; Seo, J.

    2011-01-01

    Fundamental material properties have been dramatically altered in the nano scale regime because of quantum confinement effect. The unique size-tunable functionalities of nano materials make them involved in an extensive variety of energy applications, such as light-emitting diodes and solar cells. These applications have been demonstrated to cut energy consumption. In response to the ever-growing energy demands as well as the concerns of global warming, researchers are actively placing their enormous emphasis on the exploration of energy savings. During this exploration, the primary stage requires the design of appropriate strategies for the synthesis of high-quality nano crystals in terms of size uniformity and superior optical/electronic properties. Especially, there is a need to seek green-chemistry approaches for the synthesis of environmentally benign and user-friendly nano crystals. Another recent area of focus is the use of individual nano crystals as building blocks for self-assembly, providing new opportunities to improve the nano crystal performance

  17. Adsorption phenomena and anchoring energy in nematic liquid crystals

    CERN Document Server

    Barbero, Giovanni

    2005-01-01

    Despite the large quantity of phenomenological information concerning the bulk properties of nematic phase liquid crystals, little is understood about the origin of the surface energy, particularly the surface, interfacial, and anchoring properties of liquid crystals that affect the performance of liquid crystal devices. Self-contained and unique, Adsorption Phenomena and Anchoring Energy in Nematic Liquid Crystals provides an account of new and established results spanning three decades of research into the problems of anchoring energy and adsorption phenomena in liquid crystals.The book contains a detailed discussion of the origin and possible sources of anchoring energy in nematic liquid crystals, emphasizing the dielectric contribution to the anchoring energy in particular. Beginning with fundamental surface and anchoring properties of liquid crystals and the definition of the nematic phase, the authors explain how selective ion adsorption, dielectric energy density, thickness dependence, and bias voltage...

  18. How far could energy transport within a single crystal

    Science.gov (United States)

    Zhang, Yifan; Che, Yanke; Zhao, Jincai; Steve, Granick

    Efficient transport of excitation energy over long distance is a vital process in light-harvesting systems and molecular electronics. The energy transfer distance is largely restricted by the probability decay of the exciton when hopping within a single crystal. Here, we fabricated an organic single crystal within which the energy could transfer more than 100 μm, a distance only limited by its crystal size. Our system could be regarded as a ``Sprint relay game'' performing on different surface of tracks. Photoinduced ``athletes'' (excitons) triggered intermolecular ``domino'' reaction to propagate energy for a long distance. In addition, athletes with the same ability runs much farther on smooth ideal track (single crystal assembled from merely van der Waals interaction) than bumpy mud track (crystal assembled from combination of pi-stacking, hydrogen bond and van der Waals interactions). Our finding presents new physics on enhancing energy transfer length within a single crystal. Current Affiliation: Institute for Basic Science, South Korea.

  19. Crystal collimator systems for high energy frontier

    CERN Document Server

    AUTHOR|(CDS)2100516; Tikhomirov, Viktor; Lobko, Alexander

    2017-01-01

    Crystalline collimators can potentially considerably improve the cleaning performance of the presently used collimator systems using amorphous collimators. A crystal-based collimation scheme which relies on the channeling particle deflection in bent crystals has been proposed and extensively studied both theoretically and experimentally. However, since the efficiency of particle capture into the channeling regime does not exceed ninety percent, this collimation scheme partly suffers from the same leakage problems as the schemes using amorphous collimators. To improve further the cleaning efficiency of the crystal-based collimation system to meet the requirements of the FCC, we suggest here a double crystal-based collimation scheme, to which the second crystal is introduced to enhance the deflection of the particles escaping the capture to the channeling regime in its first crystal. The application of the effect of multiple volume reflection in one bent crystal and of the same in a sequence of crystals is simu...

  20. Implanted strontium titanate single crystals for energy storage applications

    Energy Technology Data Exchange (ETDEWEB)

    Stoeber, Max; Cherkouk, Charaf; Walter, Juliane; Strohmeyer, Ralph; Leisegang, Tilmann; Meyer, Dirk Carl [TU Bergakademie, Freiberg (Germany); Schelter, Matthias; Zosel, Jens [Kurt Schwabe Institute, Meinsberg (Germany); Prucnal, Slawomir [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf (Germany)

    2016-07-01

    A rapid increase of the demand on efficient energy storage solutions requires new approaches beyond the Li-ion technology. In particular, metal-air batteries as well as solid-state fuel cells offer a great potential for high-energy-density storage devices. Since the efficiency of such devices is significantly limited by the activation of both the oxygen reduction reaction (ORR) and the ionic and electronic conductivities, an adequate porosity as well as a controlled doping are required. The ion implantation is a key technology to achieve this goal. In this work, p- and n-doped strontium titanate (SrTiO{sub 3}) single crystals were used as oxidic materials. The oxygen exchange kinetics as well as the structural changes of the SrTiO{sub 3} crystal surface induced by the ion implantation were investigated. On one hand, the depth profile of dopant concentration and dopant valence state were determined using sputtered X-ray photoelectron spectroscopy (XPS). On the other hand, the overall oxygen exchange kinetic of the implanted SrTiO{sub 3} crystal was quantitatively described by means of coulometric titration using Zirox system (ZIROX GmbH, Germany). Furthermore, the surface morphology of the samples was investigated using atomic force microscopy (AFM).

  1. Crystal Deflectors for High Energy Ion Beams

    CERN Document Server

    Scandale, W

    2013-01-01

    The motion of charged particles entering a crystal at small angles with respect to a crystalline plane is strongly influenced by the average electric field of the ordered nuclei. For sufficiently small angles the particles can be captured in channeling states, thus performing quasi-harmonic oscillations in the potential well between the crystal planes. Channeled particles in a bent crystal are deflected along the bent planes of the crystal. This provides a powerful method to steer and control particle trajectories that has been investigated and occasionally exploited for some decades already.

  2. Adsorption energy of iron-phthalocyanine on crystal surfaces

    International Nuclear Information System (INIS)

    Struzzi, C.; Scardamaglia, M.; Angelucci, M; Massimi, L.; Mariani, C.; Betti, G.

    2013-01-01

    The adsorption energy of iron-phthalocyanine (FePc) deposited on different crystal surfaces is studied by thermal desorption spectroscopy. A thin film of molecules has been absorbed on highly oriented pyrolytic graphite (HOPG), on graphene epitaxially grown on Ir(111), and on Au(110). Activation energies for the desorption of a molecular thin film and for the FePc single layer are determined at the three surfaces. The desorption temperature measured for the thin films is only slightly dependent on the substrate, since it is mostly dominated by molecule-molecule interactions. A definitely different desorption temperature is found at the single-layer coverage: we find an increasing desorption temperature going from HOPG, to graphene/Ir, to the Au(110) surface. The different adsorption energies of the first FePc layer in contact with the substrate surface are discussed taking into account the interaction and the growth morphology.

  3. Crystals channel high-energy beams in the LHC

    CERN Multimedia

    CERN Bulletin

    2015-01-01

    Bent crystals can be used to deflect particle beams, as suggested by E. Tsyganov in 1976. Experimental demonstrations have been carried out for four decades in various laboratories worldwide. In recent tests, a bent crystal inserted into the LHC beam halo successfully channelled and deflected 6.5 TeV protons into an absorber, with reduced secondary irradiation.    Quasimosaic crystal for the LHC (developed by PNPI). Bent crystal technology was introduced at CERN and further developed for the LHC by the UA9 Collaboration. For about ten years, experts from CERN, INFN (Italy), Imperial College (UK), LAL (France), and PNPI, IHEP and JINR (Russia) have been investigating the advantages of using bent crystals in the collimation systems of high-energy hadron colliders. A bent crystal replacing the primary collimator can deflect the incoming halo deeply inside the secondary collimators, improving their absorption efficiency. “The bent crystals we have just tested at the world-record en...

  4. A novel lattice energy calculation technique for simple inorganic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kaya, Cemal [Department of Chemistry, Faculty of Science, Cumhuriyet University, 58140 Sivas (Turkey); Kaya, Savaş, E-mail: savaskaya@cumhuriyet.edu.tr [Department of Chemistry, Faculty of Science, Cumhuriyet University, 58140 Sivas (Turkey); Banerjee, Priyabrata [Surface Engineering and Tribology Group, CSIR-Central Mechanical Engineering Research Institute, Mahatma Gandhi Avenue, Durgapur 713209 (India)

    2017-01-01

    In this pure theoretical study, a hitherto unexplored equation based on Shannon radii of the ions forming that crystal and chemical hardness of any crystal to calculate the lattice energies of simple inorganic ionic crystals has been presented. To prove the credibility of this equation, the results of the equation have been compared with experimental outcome obtained from Born-Fajans-Haber- cycle which is fundamentally enthalpy-based thermochemical cycle and prevalent theoretical approaches proposed for the calculation of lattice energies of ionic compounds. The results obtained and the comparisons made have demonstrated that the new equation is more useful compared to other theoretical approaches and allows to exceptionally accurate calculation of lattice energies of inorganic ionic crystals without doing any complex calculations.

  5. Monte Carlo Modeling of Crystal Channeling at High Energies

    CERN Document Server

    Schoofs, Philippe; Cerutti, Francesco

    Charged particles entering a crystal close to some preferred direction can be trapped in the electromagnetic potential well existing between consecutive planes or strings of atoms. This channeling effect can be used to extract beam particles if the crystal is bent beforehand. Crystal channeling is becoming a reliable and efficient technique for collimating beams and removing halo particles. At CERN, the installation of silicon crystals in the LHC is under scrutiny by the UA9 collaboration with the goal of investigating if they are a viable option for the collimation system upgrade. This thesis describes a new Monte Carlo model of planar channeling which has been developed from scratch in order to be implemented in the FLUKA code simulating particle transport and interactions. Crystal channels are described through the concept of continuous potential taking into account thermal motion of the lattice atoms and using Moliere screening function. The energy of the particle transverse motion determines whether or n...

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

    International Nuclear Information System (INIS)

    Li Jinping; Luo Xiaoguang; Hu Ping; Dong Shanliang

    2009-01-01

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

  7. Science Activities in Energy: Electrical Energy.

    Science.gov (United States)

    Oak Ridge Associated Universities, TN.

    Presented is a science activities in energy package which includes 16 activities relating to electrical energy. Activities are simple, concrete experiments for fourth, fifth and sixth grades which illustrate principles and problems relating to energy. Each activity is outlined in a single card which is introduced by a question. A teacher's…

  8. Photonic Crystal Emitters for Thermophotovoltaic Energy Conversion

    International Nuclear Information System (INIS)

    Stelmakh, Veronika; Chan, Walker R; Joannopoulos, John D; Celanovic, Ivan; Ghebrebrhan, Michael; Soljacic, Marin

    2015-01-01

    This paper reports the design, fabrication, and characterization of 2D photonic crystal (PhC) thermal emitters for a millimeter-scale hydrocarbon TPV microgenerator as a possible replacement for batteries in portable microelectronics, robotics, etc. In our TPV system, combustion heats a PhC emitter to incandescence and the resulting radiation is converted by a low-bandgap TPV cell. The PhC tailors the photonic density of states to produce spectrally confined thermal emission that matches the bandgap of the TPV cell, enabling high heat-to-electricity conversion efficiency. The work builds on a previously developed fabrication process to produce a square array of cylindrical cavities in a metal substrate. We will present ongoing incremental improvements in the optical and thermo-mechanical properties, the fabrication process, and the system integration, as recently combined with fabrication using novel materials, such as sputtered coatings, to enable a monolithic system. (paper)

  9. Crystallization of glass-forming liquids: Specific surface energy

    International Nuclear Information System (INIS)

    Schmelzer, Jürn W. P.; Abyzov, Alexander S.

    2016-01-01

    A generalization of the Stefan-Skapski-Turnbull relation for the melt-crystal specific interfacial energy is developed in terms of the generalized Gibbs approach extending its standard formulation to thermodynamic non-equilibrium states. With respect to crystal nucleation, this relation is required in order to determine the parameters of the critical crystal clusters being a prerequisite for the computation of the work of critical cluster formation. As one of its consequences, a relation for the dependence of the specific surface energy of critical clusters on temperature and pressure is derived applicable for small and moderate deviations from liquid-crystal macroscopic equilibrium states. Employing the Stefan-Skapski-Turnbull relation, general expressions for the size and the work of formation of critical crystal clusters are formulated. The resulting expressions are much more complex as compared to the respective relations obtained via the classical Gibbs theory. Latter relations are retained as limiting cases of these more general expressions for moderate undercoolings. By this reason, the formulated, here, general relations for the specification of the critical cluster size and the work of critical cluster formation give a key for an appropriate interpretation of a variety of crystallization phenomena occurring at large undercoolings which cannot be understood in terms of the Gibbs’ classical treatment.

  10. Energy transfer mechanism in CsI:Eu crystal

    International Nuclear Information System (INIS)

    Yakovlev, V.; Trefilova, L.; Karnaukhova, A.; Ovcharenko, N.

    2014-01-01

    This paper studies the scintillation process in CsI:Eu crystal exposed to the pulse electron irradiation (E=0.25 MeV, t 1/2 =15 ns and W=0.003 J/cm 2 ). It has been proved that the energy transfer from the lattice to Eu 2+ ions in CsI:Eu occurs through the re-absorption of STE emission. The proposed model rests on the following experimental facts: (1) the activator emission at 2.68 eV rises gradually after the decay of the excitation pulse even at temperature lower than 90 K when V k centers are immobile; (2) the rise time of 2.68 eV emission and the decay time of STE emission have the same temperature dependences at T=78–300 K; (3) the excitation spectrum of 2.68 eV emission overlaps the emission spectrum of STE. -- Highlights: • The scintillation process in CsI:Eu was studied under pulsed electron irradiation. • A model of the energy transfer from the lattice to Eu 2+ ions in CsI:Eu was proposed. • Eu 2+ ions in CsI:Eu reabsorb the π-emission of self-trapped excitons

  11. Nano crystals-Related Synthesis, Assembly, and Energy Applications 2012

    International Nuclear Information System (INIS)

    Zou, B.; Yu, W.W.; Seo, J.; Zhu, T.; Hu, M.Z.

    2012-01-01

    During the past decades, nano crystals have attracted broad attention due to their unique shape- and size-dependent physical and chemical properties that differ drastically from their bulk counterparts. Hitherto, much effort has been dedicated to achieving rational controlling over the morphology, assembly, and related energy applications of the nano materials. Therefore, the ability to manipulate the morphology, size, and size distribution of inorganic nano materials is still an important goal in modern materials physics and chemistry. Especially, the world's demand for energy supply is causing a dramatic escalation of social and political unrest. Likewise, the environmental impact of the global climate change due to the combustion of fossil fuel is becoming increasingly alarming. These problems compel us to search for effective routes to build devices that can supply sustainable energy, with not only high efficiency but also environmental friendship. One of ways to relieve the energy crisis is to exploit devices based on renewable energy sources, such as solar energy and water power. Aiming at this exploration, the primary stage requires the design of appropriate strategies for the synthesis of high-quality nano crystals with respect to size uniformity and superior electrochemical performances. As a consequence, we organize the current special issue for Journal of Nano materials to provide the authors with a platform and readers with the latest achievements of nano crystals-related synthesis, assembly, and energy applications.

  12. Bremsstrahlung and pair production in crystals at very high energies

    International Nuclear Information System (INIS)

    Nikishov, A.I.

    1981-01-01

    The probabilities for bremsstrahlung and pair production in crystals are discussed under stringent condition when the trajectory of the high-energy electron crosses very many atoms of a crystal row (or plane). It is shown that for sufficiently long path in such conditions the probabilities are described by the formulas for these processes in a strong constant magnetic field exerting on electron the same deflection as the atom row. It turns out that for lead at energy approximately 10 12 eV the radiation length is shortened many hundred times. For greater energies the decrease of probabilities per unit length with increase of energy goes as W varies as Esup(-1/3)

  13. Gamma-ray relative energy response of Ce: YAG crystal

    International Nuclear Information System (INIS)

    Zhang Jianhua; Zhang Chuanfei; Hu Mengchun; Peng Taiping; Wang Zhentong; Tang Dengpan; Zhao Guangjun

    2010-01-01

    Gamma-ray relative energy response of Ce: YAG crystal, which is important for pulsed γ-ray measurement, was studied in this work.The Ce: YAG crystal, which was developed at Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, was aligned point by point with γ-rays scattered from an industrial 60 Co line source. The γ-ray relative energy response was calculated using the mass attenuation coefficient. The results show that the numerical calculation method of γ-ray relative energy response is reliable, and the experimental method with multi-energy point γ-ray by Compton scattering is also feasible, that can be used for checking up correctness of the numerical calculation results. (authors)

  14. Crystal structure representations for machine learning models of formation energies

    Energy Technology Data Exchange (ETDEWEB)

    Faber, Felix [Department of Chemistry, Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, University of Basel Switzerland; Lindmaa, Alexander [Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping Sweden; von Lilienfeld, O. Anatole [Department of Chemistry, Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, University of Basel Switzerland; Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass Avenue Lemont Illinois 60439; Armiento, Rickard [Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping Sweden

    2015-04-20

    We introduce and evaluate a set of feature vector representations of crystal structures for machine learning (ML) models of formation energies of solids. ML models of atomization energies of organic molecules have been successful using a Coulomb matrix representation of the molecule. We consider three ways to generalize such representations to periodic systems: (i) a matrix where each element is related to the Ewald sum of the electrostatic interaction between two different atoms in the unit cell repeated over the lattice; (ii) an extended Coulomb-like matrix that takes into account a number of neighboring unit cells; and (iii) an ansatz that mimics the periodicity and the basic features of the elements in the Ewald sum matrix using a sine function of the crystal coordinates of the atoms. The representations are compared for a Laplacian kernel with Manhattan norm, trained to reproduce formation energies using a dataset of 3938 crystal structures obtained from the Materials Project. For training sets consisting of 3000 crystals, the generalization error in predicting formation energies of new structures corresponds to (i) 0.49, (ii) 0.64, and (iii) 0.37eV/atom for the respective representations.

  15. Thermally stimulated luminescence of KDP activated crystals

    International Nuclear Information System (INIS)

    Tagaeva, B.S.

    2005-01-01

    The aim of this work is the study of recombination luminescence pure and doped by the ions Tl, Se, Pb and Cu of crystals double potassium phosphates (KDP) at irradiation by X-rays. It is established that in the given crystals mechanisms for under-threshold defect formation are realize. The impurity ions results the basic crystal light sum redistribution in the TL peaks. Explanations for some phenomena are given. (author)

  16. Study on Properties of Energy Spectra of the Molecular Crystals

    Science.gov (United States)

    Pang, Xiao-Feng; Chen, Xiang-Rong

    The energy-spectra of nonlinear vibration of molecular crystals such as acetanilide have been calculated by using discrete nonlinear Schrödinger equation appropriate to the systems, containing various interactions. The energy levels including higher excited states are basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide. We further give the features of distribution of the energy-spectra for the acetanilide. Using the energy spectra we also explained well experimental results obtained by Careri et al..

  17. Bulk single crystal ternary substrates for a thermophotovoltaic energy conversion system

    Science.gov (United States)

    Charache, Greg W.; Baldasaro, Paul F.; Nichols, Greg J.

    1998-01-01

    A thermophotovoltaic energy conversion device and a method for making the device. The device includes a substrate formed from a bulk single crystal material having a bandgap (E.sub.g) of 0.4 eVternary or quaternary III-V semiconductor active layers.

  18. Surface energy and crystallization phenomena of ammonium dinitramide

    Energy Technology Data Exchange (ETDEWEB)

    Teipel, Ulrich; Heintz, Thomas [Fraunhofer-Institut fuer Chemische Technologie (ICT), PO Box 1240, D-76318 Pfinztal (Germany)

    2005-12-01

    Ammonium dinitramide (ADN) was characterized during recrystallization from the melt. The surface tension of molten ADN at 97 C was measured to be 89 mN/m. The wetting angles between molten ADN and different solid surfaces (polytetrafluoroethylene, glass, steel, and aluminum) were determined. The wettability depends on the surface tension of molten ADN, the free surface energy of the solid surfaces and the interfacial tension between the solid and liquid. Observations of the recrystallization behavior of molten ADN showed that nucleation does not occur, even at super cooling rates of 70 K. Crystallization can be initiated by the application of seed crystals. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

  19. Activated crystals of fluorite type as photochromic mediums for recording of volumetric holograms

    International Nuclear Information System (INIS)

    Arkhangel'skaya, V.A.; Ashcheulov, Yu.V.; Perfilov, V.N.; Rejterov, V.M.; Sukhanov, V.I.; Feofilov, P.P.

    1975-01-01

    The paper is a study of the mechanism of photochromism and of the photochromic and holographic properties of fluorides of alkaline earth metals with one and two rare-earth activators. It is shown that the angular selectivity of ''thick'' (d approximately 2-5 mm) crystals is 2-3 angular minutes and that the optimum energy exposures, corresponding to the maximum diffraction efficiency values, are 0.1-1.0 J/cm 2 for singly-activated crystals and 1.0-10 J/cm 2 for crystals with two activators. The diffraction efficiencies of holograms of both types of crystals is in the range of approximately 0.1-0.2%. The experimental data are compared with calculations made for photochromic crystals with pigmentation centres. It is suggested that the materials studied can serve as a basis for measuring volumetric holograms. (author)

  20. Science Activities in Energy: Wind Energy.

    Science.gov (United States)

    Oak Ridge Associated Universities, TN.

    Included in this science activities energy package are 12 activities related to wind energy for elementary students. Each activity is outlined on a single card and is introduced by a question. Topics include: (1) At what time of day is there enough wind to make electricity where you live?; (2) Where is the windiest spot on your schoolground?; and…

  1. Electrostatic energies of crystals in space of arbitrary dimension

    International Nuclear Information System (INIS)

    Takemoto, Hiroki; Tohsaki, Akihiro

    2005-01-01

    We present a new method to evaluate electrostatic energies under periodic boundary conditions. The lattice sum of Coulomb potentials is expressed through the elliptic Q function of the third kind. This enables us to evaluate electrostatic energies of ionic crystals very accurately and with very rapid convergence. In particular, we study the dimensionality of the electrostatic energies of NaCl-type and CsCl-type crystals, whose expressions are functions of the spatial dimension treated as a real number. Furthermore, the expressions we obtain are applicable to computational simulations using molecular dynamics and Monte Carlo methods. We generate random distributions of point charges under periodic boundary conditions, and we analyze the randomness and its anisotropy on the basis of potential distributions. (author)

  2. Calculation of the band gap energy of ionic crystals

    International Nuclear Information System (INIS)

    Aguado, A.; Lopez, J.M.; Alonso, J.A.; Ayuela, A.; Rivas S, J.F.; Berrondo, M.

    1998-01-01

    The band gap of alkali halides, alkaline-earth oxides, Al 2 O 3 and SiO 2 crystals has been calculated using the perturbed-ion model supplemented with some assumptions for the treatment of excited states. The gap is calculated in several ways: as a difference between one-electron energy eigenvalues and as a difference between the total energies of appropriate electronic states of the crystal, both at the HF level and with inclusion of Coulomb correlation effects. The results compare well with experimental band gap energies and with other theoretical calculations, suggesting that the picture of bonding and excitation given by the model can be useful in ionic materials. (Author)

  3. Method for fitting crystal field parameters and the energy level fitting for Yb3+ in crystal SC2O3

    International Nuclear Information System (INIS)

    Qing-Li, Zhang; Kai-Jie, Ning; Jin, Xiao; Li-Hua, Ding; Wen-Long, Zhou; Wen-Peng, Liu; Shao-Tang, Yin; Hai-He, Jiang

    2010-01-01

    A method to compute the numerical derivative of eigenvalues of parameterized crystal field Hamiltonian matrix is given, based on the numerical derivatives the general iteration methods such as Levenberg–Marquardt, Newton method, and so on, can be used to solve crystal field parameters by fitting to experimental energy levels. With the numerical eigenvalue derivative, a detailed iteration algorithm to compute crystal field parameters by fitting experimental energy levels has also been described. This method is used to compute the crystal parameters of Yb 3+ in Sc 2 O 3 crystal, which is prepared by a co-precipitation method and whose structure was refined by Rietveld method. By fitting on the parameters of a simple overlap model of crystal field, the results show that the new method can fit the crystal field energy splitting with fast convergence and good stability. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  4. Dynamics of Active Nematic Liquid Crystals

    Science.gov (United States)

    DeCamp, Stephen J.

    liquid crystal by assembling microtubule bundles into a quasi-2D film confined to a large, flat oil-water interface. Internal stresses generated by kinesin motors drive the system far from equilibrium which precludes a uniformly aligned nematic ground state through the continuous creation and annihilation of +/-1/2 motile defects. First, we demonstrate that the nematic is extensile by observing the deformation of a photobleached spot which undergoes extension along the nematic director and contraction perpendicular to the director. We map the experimentally tunable parameter, ATP concentration, to the intrinsic activity of the sample measured by the characteristic time of the contractile dynamics. Then, we characterize the flow of individual microtubules by measuring their relative velocity within the nematic and find a flow field consistent with a force dipole but where the magnitude of the extension and contraction velocity are proportional to the separation between the filaments. The extensile and contractile flow velocities can be tuned by the ATP concentration and can be as large as 6 mum/s. Then we spatially map microtubule concentration, alignment, and flow near topological defect cores. We test a theory which predicts that flows are directly proportional to the local alignment of the nematic and find our results inconsistent with that theory. Finally, we measure large scale velocity and vorticity distributions as well as vortex area distributions and find agreement with other recent theoretical predictions. Next, we turn our attention to the complex behavior of defects in the active nematic. Using defect tracking algorithms developed by Gabriel S. Redner, we measure the +/-1/2 defect velocity and lifetime distributions as well as MSD and average defect density. We find that average velocities, lifetimes, and densities are tunable by varying the ATP concentration. The MSDs reveal that motile +1/2 defects stream ballistically through the sample (up to 15 mum

  5. Instrinsic defect energies of lithium hydride and lithium deuteride crystals

    International Nuclear Information System (INIS)

    Pandey, R.; Stoneham, A.M.

    1985-01-01

    A theoretical study has been made of the defect structure of lithium hydride and lithium deuteride. A potential model is obtained describing the statics and dynamics of these crystals. Intrinsic defect energies are calculated using the Harwell HADES program which is based on a generalised Mott-Littleton method. The results are in good agreement with the experimental data, and suggest that the vacancy and interstitial migration mechanisms of anions and cations are all comparable in their contribution to ionic conduction. (author)

  6. Synthesis and photocatalytic activity of mesoporous – (001) facets TiO_2 single crystals

    International Nuclear Information System (INIS)

    Dong, Yeshuo; Fei, Xuening; Zhou, Yongzhu

    2017-01-01

    Highlights: • The (001) facets of TiO_2 single crystals with mesoporous structure. • The (010) and (100) facets of TiO_2 single crystals were covered by the flower – shaped TiO_2 crystals. • This special structure could promote charge separation and provide more active sites, which will lead to a substantial increase in photocatalytic activity. - Abstract: In this work, the mesoporous – (001) facets TiO_2 single crystals have been successfully synthesized through a two-step solvothermal route without any template. Their structure and morphology were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), ultraviolet-visible (UV–vis) diffuse reflectance spectroscopy and energy dispersive X-ray spectrometer (EDX). Based on the different characteristics and atomic arrangements on each facet of anatase TiO_2 single crystals, we synthesized these mesoporous – (001) facets TiO_2 single crystals by controlling the interaction characteristics of hydrofluoric acid (HF) and isopropanol (i-PrOH) on the crystal facets. It can been seen that the (001) facets of these as-synthesized TiO_2 single crystals have a clear mesoporous structure through the SEM images and BET methods. Moreover, the other four facets were covered by the flower – shaped TiO_2 crystals with the generation of the mesoporous – (001) facets. This special and interesting morphology could promote charge separation and provide more active sites, which will lead to a substantial increase in photocatalytic activity. Moreover, it is more intuitive to reflect that the different crystal facets possess the different properties due to their atomic arrangement. Besides, according to the different synthetic routes, we proposed and discussed a plausible synthesis mechanism of these mesoporous – (001) facets TiO_2 single crystals.

  7. Agglomeration Control during Ultrasonic Crystallization of an Active Pharmaceutical Ingredient

    Directory of Open Access Journals (Sweden)

    Bjorn Gielen

    2017-02-01

    Full Text Available Application of ultrasound during crystallization can efficiently inhibit agglomeration. However, the mechanism is unclear and sonication is usually enabled throughout the entire process, which increases the energy demand. Additionally, improper operation results in significant crystal damage. Therefore, the present work addresses these issues by identifying the stage in which sonication impacts agglomeration without eroding the crystals. This study was performed using a commercially available API that showed a high tendency to agglomerate during seeded crystallization. The crystallization progress was monitored using process analytical tools (PAT, including focus beam reflectance measurements (FBRM to track to crystal size and number and Fourier transform infrared spectroscopy (FTIR to quantify the supersaturation level. These tools provided insight in the mechanism by which ultrasound inhibits agglomeration. A combination of improved micromixing, fast crystal formation which accelerates depletion of the supersaturation and a higher collision frequency prevent crystal cementation to occur. The use of ultrasound as a post-treatment can break some of the agglomerates, but resulted in fractured crystals. Alternatively, sonication during the initial seeding stage could assist in generating nuclei and prevent agglomeration, provided that ultrasound was enabled until complete desupersaturation at the seeding temperature. FTIR and FBRM can be used to determine this end point.

  8. Energy transfer processes in Er-doped crystals

    International Nuclear Information System (INIS)

    Georgescu, Serban; Toma, Octavian

    2005-01-01

    In this paper, the microparameters characteristic to various energy-transfer processes in erbium doped crystals are estimated using the Dexter theory. For all the investigated processes, electric dipole-dipole interaction between donor and acceptor ions is assumed. The spectra appearing in Dexter's expression of the microparameter are simulated as a superposition of Lorentzian lines, knowing the positions of both initial and final Stark levels, and calibrated using the Judd-Ofelt model. This approach can give an estimation of the importance of the energy-transfer processes. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Color centers inside crystallic active media

    Science.gov (United States)

    Mierczyk, Zygmunt; Kaczmarek, Slawomir M.; Kopczynski, Krzysztof

    1995-03-01

    This paper presents research results on color centers induced by radiation of a xenon lamp in non doped crystals of yttrium aluminum garnet Y3Al5O12 (YAG), strontium- lanthanum aluminate SrLaAlO4 (SLAO), strontium-lanthanum gallate SrLaGa3O7 (SLGO), and in doped crystals: Nd:YAG, Cr, Tm, Ho:YAG (CTH:YAG), Nd:SLAO and Nd:SLGO. In all these investigated crystals under the influence of intensive exposure by xenon lamp radiation additional bands connected with centers O-2, O2 and centers F came up near the short-wave absorption edge. In the case of doped crystals the observed processes are much more complicated. In crystals CTH:YAG the greatest perturbations in relation to basic state are present at the short-wave absorption edge, as well as on areas of absorption bands of ions Cr+3 and Tm+3 conditioning the sensibilization process of ions Ho+3. These spectral structure disturbances essentially influence the efficiency of this process, as proven during generating investigations. In the case of SrLaGa3O7:Nd+3 under the influence of exposure substantial changes of absorption spectrum occurred on spectral areas 346 divided by 368 nm, 429 divided by 441 nm and 450 divided by 490 nm. Those changes have an irreversible character. They disappear not before the plate is being held at oxidizing atmosphere. Investigations of laser rods Nd:SLGO, CTH:YAG, and Nd:YAG in a free generation demonstrated that the color centers of these crystals are induced by pomp radiation from the spectral area up to 450 nm.

  10. Hydrodynamic interactions in active colloidal crystal microrheology.

    Science.gov (United States)

    Weeber, R; Harting, J

    2012-11-01

    In dense colloids it is commonly assumed that hydrodynamic interactions do not play a role. However, a found theoretical quantification is often missing. We present computer simulations that are motivated by experiments where a large colloidal particle is dragged through a colloidal crystal. To qualify the influence of long-ranged hydrodynamics, we model the setup by conventional Langevin dynamics simulations and by an improved scheme with limited hydrodynamic interactions. This scheme significantly improves our results and allows to show that hydrodynamics strongly impacts the development of defects, the crystal regeneration, as well as the jamming behavior.

  11. Magnetic activity at infrared frequencies in structured metallic photonic crystals

    International Nuclear Information System (INIS)

    O'Brien, S.; Pendry, J.P.

    2002-01-01

    We derive the effective permeability and permittivity of a nanostructured metallic photonic crystal by analysing the complex reflection and transmission coefficients for slabs of various thicknesses. These quantities were calculated using the transfer matrix method. Our results indicate that these structures could be used to realize a negative effective permeability, at least up to infrared frequencies. The origin of the negative permeability is a resonance due to the internal inductance and capacitance of the structure. We also present an analytic model for the effective permeability of the crystal. The model reveals the importance of the inertial inductance due to the finite mass of the electrons in the metal. We find that this contribution to the inductance has implications for the design of metallic magnetic structures in the optical region of the spectrum. We show that the magnetic activity in the structure is accompanied by the concentration of the incident field energy into very small volumes within the structure. This property will allow us to considerably enhance non-linear effects with minute quantities of material. (author)

  12. Nonlinear Gain Saturation in Active Slow Light Photonic Crystal Waveguides

    DEFF Research Database (Denmark)

    Chen, Yaohui; Mørk, Jesper

    2013-01-01

    We present a quantitative three-dimensional analysis of slow-light enhanced traveling wave amplification in an active semiconductor photonic crystal waveguides. The impact of slow-light propagation on the nonlinear gain saturation of the device is investigated.......We present a quantitative three-dimensional analysis of slow-light enhanced traveling wave amplification in an active semiconductor photonic crystal waveguides. The impact of slow-light propagation on the nonlinear gain saturation of the device is investigated....

  13. Hydrodynamic interactions in active colloidal crystal microrheology

    OpenAIRE

    Weeber, R; Harting, JDR Jens

    2012-01-01

    In dense colloids it is commonly assumed that hydrodynamic interactions do not play a role. However, a found theoretical quantification is often missing. We present computer simulations that are motivated by experiments where a large colloidal particle is dragged through a colloidal crystal. To qualify the influence of long-ranged hydrodynamics, we model the setup by conventional Langevin dynamics simulations and by an improved scheme with limited hydrodynamic interactions. This scheme signif...

  14. Elastic energy of liquid crystals in convex polyhedra

    International Nuclear Information System (INIS)

    Majumdar, A; Robbins, J M; Zyskin, M

    2004-01-01

    We consider nematic liquid crystals in a bounded, convex polyhedron described by a director field n(r) subject to tangent boundary conditions. We derive lower bounds for the one-constant elastic energy in terms of topological invariants. For a right rectangular prism and a large class of topologies, we derive upper bounds by introducing test configurations constructed from local conformal solutions of the Euler-Lagrange equation. The ratio of the upper and lower bounds depends only on the aspect ratios of the prism. As the aspect ratios are varied, the minimum-energy conformal state undergoes a sharp transition from being smooth to having singularities on the edges. (letter to the editor)

  15. Active Photonic crystal fibers for high power applications

    DEFF Research Database (Denmark)

    Olausson, Christina Bjarnal Thulin

    The photonic crystal ber technology provides means to realize bers optimized for high power operation, due to the large single-mode cores and the unique design exibility of the microstructure. The work presented in this thesis focuses on improving the properties of active photonic crystal bers...... contributed to the compounding of new and improved material compositions. The second part is an investigation of pump absorption in photonic crystal bers, demonstrating that the microstructure in photonic crystal bers improves the pump absorption by up to a factor of two compared to step-index bers....... This plays an important role in high power lasers and ampliers with respect to efficiency, packaging, and thermal handling. The third part of the work has involved developing tools for characterizing the mode quality and stability of large core bers. Stable, single-mode bers with larger cores are essential...

  16. Terahertz Active Photonic Crystals for Condensed Gas Sensing

    Directory of Open Access Journals (Sweden)

    Karl Unterrainer

    2011-06-01

    Full Text Available The terahertz (THz spectral region, covering frequencies from 1 to 10 THz, is highly interesting for chemical sensing. The energy of rotational and vibrational transitions of molecules lies within this frequency range. Therefore, chemical fingerprints can be derived, allowing for a simple detection scheme. Here, we present an optical sensor based on active photonic crystals (PhCs, i.e., the pillars are fabricated directly from an active THz quantum-cascade laser medium. The individual pillars are pumped electrically leading to laser emission at cryogenic temperatures. There is no need to couple light into the resonant structure because the PhC itself is used as the light source. An injected gas changes the resonance condition of the PhC and thereby the laser emission frequency. We achieve an experimental frequency shift of 10−3 times the center lasing frequency. The minimum detectable refractive index change is 1.6 × 10−5 RIU.

  17. Crystal Ball: On the Future High Energy Colliders

    Energy Technology Data Exchange (ETDEWEB)

    Shiltsev, Vladimir [Fermilab

    2015-09-20

    High energy particle colliders have been in the forefront of particle physics for more than three decades. At present the near term US, European and international strategies of the particle physics community are centered on full exploitation of the physics potential of the Large Hadron Collider (LHC) through its high-luminosity upgrade (HL-LHC). A number of next generation collider facilities have been proposed and are currently under consideration for the medium- and far-future of the accelerator-based high energy physics. In this paper we offer a uniform approach to evaluation of various accelerators based on the feasibility of their energy reach, performance reach and cost range. We briefly review such post-LHC options as linear e+e- colliders in Japan (ILC) or at CERN (CLIC), muon collider, and circular lepton or hadron colliders in China (CepC/SppC) and Europe (FCC). We conclude with a look into ultimate energy reach accelerators based on plasmas and crystals, and some perspectives for the far future of accelerator-based particle physics.

  18. Synthesis, crystal structure and biological activity of novel diester cyclophanes

    International Nuclear Information System (INIS)

    Zhang, Pengfei; Yang, Bingqin; Fang, Xianwen; Cheng, Zhao; Yang, Meipan

    2012-01-01

    A series of novel diester cyclophanes was synthesized by esterification of 1,2-benzenedicarbonyl chloride with eight different diols under high dilution conditions. The structures of the compounds were verified by elemental analysis, 1 H nuclear magnetic resonance (NMR), IR spectroscopy and high resolution mass spectrometry (HRMS). The crystal structures of two compounds were characterized by single crystal X-ray diffractometry (XRD). All the new cyclophanes were evaluated for biological activities and the results showed that some of these compounds have low antibacterial or antifungal activities (author)

  19. Synthesis, crystal structure and biological activity of novel diester cyclophanes

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Pengfei; Yang, Bingqin; Fang, Xianwen; Cheng, Zhao; Yang, Meipan, E-mail: yangbq@nwu.edu.cn [Department of Chemistry, Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Northwest University, Shaanxi (China)

    2012-10-15

    A series of novel diester cyclophanes was synthesized by esterification of 1,2-benzenedicarbonyl chloride with eight different diols under high dilution conditions. The structures of the compounds were verified by elemental analysis, {sup 1}H nuclear magnetic resonance (NMR), IR spectroscopy and high resolution mass spectrometry (HRMS). The crystal structures of two compounds were characterized by single crystal X-ray diffractometry (XRD). All the new cyclophanes were evaluated for biological activities and the results showed that some of these compounds have low antibacterial or antifungal activities (author)

  20. Downstream Processability of Crystal Habit-Modified Active Pharmaceutical Ingredient

    DEFF Research Database (Denmark)

    Pudasaini, Nawin; Upadhyay, Pratik Pankaj; Parker, Christian Richard

    2017-01-01

    Efficient downstream processing of active pharmaceutical ingredients (APIs) can depend strongly on their particulate properties, such as size and shape distributions. Especially in drug products with high API content, needle-like crystal habit of an API may show compromised flowability and tablet......Efficient downstream processing of active pharmaceutical ingredients (APIs) can depend strongly on their particulate properties, such as size and shape distributions. Especially in drug products with high API content, needle-like crystal habit of an API may show compromised flowability...

  1. Tunnelling determined superconducting energy gap of bulk single crystal aluminum

    International Nuclear Information System (INIS)

    Civiak, R.L.

    1974-01-01

    A procedure has been developed for fabricating Giaver tunnel junctions on bulk aluminum. Al-I-Ag junctions were prepared, where I is the naturally formed oxide on the polished, chemically treated aluminum surface. The aluminum energy gap was determined from tunneling conductance curves obtained from samples oriented in three different crystal directions, and as a function of magnetic field in each of these orientations. In contrast to the results of microwave absorption measurements on superconducting aluminum, no magnetic field dependence could be measured for either the average gap or the spread in gap values of the tunneling electrons. This is consistent with commonly accepted tunneling selection rules, and Garfunkel's interpretation of the microwave behavior which depended upon adjusting the energy spectrum of only the electrons traveling parallel to the surface in the presence of a magnetic field. The energy gaps measured for samples oriented in the 100, 110 and 111 directions are 3.52, 3.50 and 3.39 kT/sub c/, respectively. The trend in the anisotropy is the same as in the calculation of Leavens and Carbotte, however, the magnitude of the anisotropy is smaller than in their calculation and that which previous measurements have indicated

  2. Experimental investigation and crystal-field modeling of Er{sup 3+} energy levels in GSGG crystal

    Energy Technology Data Exchange (ETDEWEB)

    Gao, J.Y., E-mail: jygao1985@sina.com [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Sun, D.L.; Zhang, Q.L. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Wang, X.F. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Liu, W.P.; Luo, J.Q.; Sun, G.H.; Yin, S.T. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China)

    2016-06-25

    The Er{sup 3+}-doped Gd{sub 3}Sc{sub 2}Ga{sub 3}O{sub 12} (Er{sup 3+}:GSGG) single crystal, a excellent medium of the mid-infrared and anti-radiation solid state laser pumped by laser diode, was grown by Czochralski method successfully. The absorption spectra were measured and analyzed in a wider spectral wavelength range of 350–1700 nm at different temperatures of 7.6, 77, 200 and 300 K. The free-ions and crystal-field parameters were fitted to the experimental energy levels with the root mean square deviation of 9.86 cm{sup −1}. According to the crystal-field calculations, 124 degenerate energy levels of Er{sup 3+} in GSGG host crystals were assigned. The fitting results of free-ions and crystal-field parameters were compared with those already reported of Er{sup 3+}:YSGG. The results indicated that the free-ions parameters for Er{sup 3+} in GSGG host are similar to those in YSGG host crystals, and the crystal-field interaction of GSGG is weaker than that of YSGG, which may result in the better laser characterization of Er{sup 3+}:GSGG crystal. - Highlights: • The efficient diode-end-pumped laser crystal Er:GSGG has been grown successfully. • The absorption spectra of Er:GSGG have been measured in range of 350–1700 nm. • The fitting result is very well for the root mean square deviation is 9.86 cm{sup −1}. • The 124 levels of Er:GSGG have been assigned from the crystal-field calculations.

  3. Properties of lead tungstate crystals for high-energy physics

    CERN Document Server

    Ippolitov, M S; Burachas, S; Ikonnikov, V; Kuriakin, A; Lebedev, V; Makov, I; Man'ko, V; Nikulin, S P; Nyanin, A; Saveliev, Yu; Tamulaitis, G; Tsvetkov, A A; Vasilev, A; Vinogradov, Yu I

    2004-01-01

    Technology for the mass production of high-quality PbWO//4 (PWO) scintillating crystals is described. Scintillators produced from PWO crystals are intented for the ALICE CERN heavy ion experiment. Light yield, emission and decay time spectra as well as optical transmission of about 3600 crystals (dimensions 22 multiplied by 22 multiplied by 180 mm**3) were measured. Beam-test results of the ALICE PHOS prototype obtained with such PWO crystals are presented.

  4. Optical storage media based on fluorite activated crystals

    International Nuclear Information System (INIS)

    Mokienko, I.Yu.; Poletimov, A.E.; Shcheulin, A.S.

    1991-01-01

    Earlier studied mechanisms of photo- and thermotransformations of defects in pure and activated additively coloured crystals with fluorite structure are considered to suggest several methods of reversible optical recording of images, characterized by high resistance to high-power laser radiation and mechanical deformation

  5. Slow-light-enhanced gain in active photonic crystal waveguides

    DEFF Research Database (Denmark)

    Ek, Sara; Hansen, Per Lunnemann; Chen, Yaohui

    2014-01-01

    Passive photonic crystals have been shown to exhibit a multitude of interesting phenomena, including slow-light propagation in line-defect waveguides. It was suggested that by incorporating an active material in the waveguide, slow light could be used to enhance the effective gain of the material......, which would have interesting application prospects, for example enabling ultra-compact optical amplifiers for integration in photonic chips. Here we experi- mentally investigate the gain of a photonic crystal membrane structure with embedded quantum wells. We find that by solely changing the photonic...... crystal structural parameters, the maximum value of the gain coefficient can be increased compared with a ridge waveguide structure and at the same time the spectral position of the peak gain be controlled. The experimental results are in qualitative agreement with theory and show that gain values similar...

  6. Is the fenamate group a polymorphophore?: contrasting the crystal energy landscapes of fenamic and tolfenamic acids

    NARCIS (Netherlands)

    Uzoh, O.G.; Cruz-Cabeza, A.J.; Price, S. L.

    2012-01-01

    The concept of a polymorphophore was investigated by contrasting the crystal energy landscapes of monomorphic fenamic acid (2-(phenylamino)-benzoic acid, FA) and one of its highly polymorphic derivatives, tolfenamic acid (2-[(3-chloro-2-methylphenyl)amino]-benzoic acid, TA). The crystal energy

  7. 78 FR 79709 - Duke Energy Florida, Inc., Crystal River Unit 3 Nuclear Generating Plant Post-Shutdown...

    Science.gov (United States)

    2013-12-31

    ... NUCLEAR REGULATORY COMMISSION [Docket No. 50-302; NRC-2013-0283] Duke Energy Florida, Inc., Crystal River Unit 3 Nuclear Generating Plant Post-Shutdown Decommissioning Activities Report AGENCY: Nuclear Regulatory Commission (NRC). ACTION: Notice of receipt; availability; public meeting; and request...

  8. Ultra-Fast Low Energy Switching Using an InP Photonic Crystal H0 Nanocavity

    DEFF Research Database (Denmark)

    Yu, Yi; Palushani, Evarist; Heuck, Mikkel

    2013-01-01

    Pump-probe measurements on InP photonic crystal H0 nanocavities show large-contrast ultrafast switching at low pulse energy. For large pulse energies, high-frequency carrier density oscillations are induced, leading to pulsesplitting.......Pump-probe measurements on InP photonic crystal H0 nanocavities show large-contrast ultrafast switching at low pulse energy. For large pulse energies, high-frequency carrier density oscillations are induced, leading to pulsesplitting....

  9. Co-crystallization: An approach to improve the performance characteristics of active pharmaceutical ingredients

    OpenAIRE

    Jignasa Ketan Savjani

    2015-01-01

    Co-crystal chemistry has recently attracted supramolecular scientists. Co-crystals are comprising of hydrogen boding assembly between different molecules. Many issues related to performance characteristics of an active pharmaceutical ingredient (API) can be resolved using co-crystallization approach. Proper understanding of crystal structure of an API is required for successful formation of co-crystals with the selected co-former. This review article focus on explanation about co-crystals, in...

  10. Dissipation of the electronic excitation energy in fluorides with different type of a crystal lattice

    International Nuclear Information System (INIS)

    Lisitsyn, V.M.; Grechkina, T. V.; Korepanov, V.I.; Lisitsyna, L.A.

    2004-01-01

    Full text: In this paper we present results of comparison of efficiency creations of primary defects in crystals of fluorides of two different lattice structures: stone salt - LiF and rutile MgF 2 . We have used the methods with nanosecond time-resolved of pulse spectroscopy and found laws of creation and evolution self-trapped exciton (STE) and the F centers in a temperature range from 12.5 to 500 K and a time interval from 10 -8 to 10 -1 s after the ending of influence of a pulse electron. The density of excitation of crystals in a pulse is no more than 0.1 J·cm -3 , average energy electrons made 200 keV, duration electron pulse - 7 ns. It is established, that in crystal LiF under action of radiation are created STE two types which have various spectral-kinetic parameters absorption and emission transitions, various values of activation energy of processes of a post-industrial relaxation and different character of temperature dependences of creation efficiency under action electron pulse. In the field of low temperatures (12.5 K) created on center STE has absorption bands on 5.5 and 5.1 eV and emission band on 5.8 eV. Off-center STE has absorption on 5.3 and 4.75 eV and emission on 4.4 eV bands and are created in the interval 12.5-170 K with peak efficiency h area 60 K. In crystal MgF 2 at low temperatures (20 K) under action of radiation one STE with a nucleus occupying off-center configuration, having luminescence band on 3.2 eV and a series absorption transitions in area 4-5.5 eV is created. Concurrently with STE in both crystals under action of a pulse electron the F-centers with efficiency, not dependent on temperature of a crystal in area 20-100 K are created. There are two alternative processes under action of an irradiation with growth of temperature higher 100 K: reducing of STE creation and increasing of F centers creation. In both crystals quenching temperature of luminescence STE at T>60 K which is not accompanied by growth of efficiency of creation

  11. Energy Model of Neuron Activation.

    Science.gov (United States)

    Romanyshyn, Yuriy; Smerdov, Andriy; Petrytska, Svitlana

    2017-02-01

    On the basis of the neurophysiological strength-duration (amplitude-duration) curve of neuron activation (which relates the threshold amplitude of a rectangular current pulse of neuron activation to the pulse duration), as well as with the use of activation energy constraint (the threshold curve corresponds to the energy threshold of neuron activation by a rectangular current pulse), an energy model of neuron activation by a single current pulse has been constructed. The constructed model of activation, which determines its spectral properties, is a bandpass filter. Under the condition of minimum-phase feature of the neuron activation model, on the basis of Hilbert transform, the possibilities of phase-frequency response calculation from its amplitude-frequency response have been considered. Approximation to the amplitude-frequency response by the response of the Butterworth filter of the first order, as well as obtaining the pulse response corresponding to this approximation, give us the possibility of analyzing the efficiency of activating current pulses of various shapes, including analysis in accordance with the energy constraint.

  12. Crystal habit, characterization and pharmacological activity of various crystal forms of arteether

    Directory of Open Access Journals (Sweden)

    Renu Chadha

    2011-08-01

    Full Text Available The aim of this study was to investigate and characterize different crystal forms of arteether, a rapidly acting, highly potent antimalarial drug for the treatment of acute Plasmodium falciparum malaria. Six different crystal forms were prepared utilizing various polar and non-polar solvents. Scanning electron microscopy (SEM revealed differences in the surface characteristics of the six forms from those of a commercial sample. Differential scanning calorimetry (DSC revealed the absence of a desolvation endotherm indicating that the forms were neither hydrates nor solvates. Powder X-ray diffraction (PXRD patterns of the forms showed much weaker major peaks than in the commercial sample indicating them to be less crystalline. Solubility and dissolution studies showed that the most amorphous form was the most soluble and possessed the highest antimalarial activity.

  13. Acoustic energy harvesting by piezoelectric curved beams in the cavity of a sonic crystal

    International Nuclear Information System (INIS)

    Wang, Wei-Chung; Wu, Liang-Yu; Chen, Lien-Wen; Liu, Chia-Ming

    2010-01-01

    Acoustic energy harvesting by piezoelectric curved beams in the cavity of a sonic crystal is investigated. A resonant cavity of the sonic crystal is used to localize the acoustic wave as the acoustic waves are incident into the sonic crystal at the resonant frequency. The piezoelectric curved beam is placed in the resonant cavity and vibrated by the acoustic wave. The energy harvesting can be achieved as the acoustic waves are incident at the resonant frequency. A model for energy harvesting of the piezoelectric curved beam is also developed to predict the output voltage and power of the energy harvesting. The experimental results are compared with the theoretical

  14. Superdiffusive transport and energy localization in disordered granular crystals

    Science.gov (United States)

    Martínez, Alejandro J.; Kevrekidis, P. G.; Porter, Mason A.

    2016-02-01

    We study the spreading of initially localized excitations in one-dimensional disordered granular crystals. We thereby investigate localization phenomena in strongly nonlinear systems, which we demonstrate to differ fundamentally from localization in linear and weakly nonlinear systems. We conduct a thorough comparison of wave dynamics in chains with three different types of disorder—an uncorrelated (Anderson-like) disorder and two types of correlated disorders (which are produced by random dimer arrangements)—and for two types of initial conditions (displacement excitations and velocity excitations). We find for strongly precompressed (i.e., weakly nonlinear) chains that the dynamics depend strongly on the type of initial condition. In particular, for displacement excitations, the long-time asymptotic behavior of the second moment m˜2 of the energy has oscillations that depend on the type of disorder, with a complex trend that differs markedly from a power law and which is particularly evident for an Anderson-like disorder. By contrast, for velocity excitations, we find that a standard scaling m˜2˜tγ (for some constant γ ) applies for all three types of disorder. For weakly precompressed (i.e., strongly nonlinear) chains, m˜2 and the inverse participation ratio P-1 satisfy scaling relations m˜2˜tγ and P-1˜t-η , and the dynamics is superdiffusive for all of the cases that we consider. Additionally, when precompression is strong, the inverse participation ratio decreases slowly (with η disorder, and the dynamics leads to a partial localization around the core and the leading edge of a propagating wave packet. For an Anderson-like disorder, displacement perturbations lead to localization of energy primarily in the core, and velocity perturbations cause the energy to be divided between the core and the leading edge. This localization phenomenon does not occur in the sonic-vacuum regime, which yields the surprising result that the energy is no longer

  15. Crystal Collimation with Lead Ion Beams at Injection Energy in the LHC

    CERN Document Server

    Rossi, Roberto; Andreassen, Arvid; Butcher, Mark; Dionisio Barreto, Cristovao Andre; Masi, Alessandro; Mirarchi, Daniele; Montesano, Simone; Lamas Garcia, Inigo; Redaelli, Stefano; Scandale, Walter; Serrano Galvez, Pablo; Rijllart, Adriaan; Valentino, Gianluca; Galluccio, Francesca; CERN. Geneva. ATS Department

    2015-01-01

    During this MD, performed on December 2nd 2015, bent silicon crystals were tested with ion beams for a possible usage of crystal-assisted collimation. Tests were performed at injection energy, using both horizontal and vertical crystals. Ion channeling was observed for the first time with LHC beams at the record energy of 450 GeV and the channeled beams were probed with scans performed with secondary collimators. Measurements of cleaning efficiency of a crystal-based collimation system were also performed.

  16. International energy-promotion-activities

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-09-01

    Comprehensive promotion of energy and environmental measures are demanded in order to realize improvement in energy demand/supply structures in developing countries where increase in energy demand is anticipated. To achieve this goal, technical transfer related to energy saving technologies and clean coal as well as international energy promotion activities are implemented in China and Indonesia since fiscal 1993. In the field of energy saving, model operations are performed to improve efficiency in such energy consuming fields as steel making, power generation, and oil refining, in addition to cooperation in structuring databases and establishing master plans. In the clean coal field, model operations are conducted to reduce environmental load in coal utilizing areas, in addition to cooperation in establishing master plans for coal utilization. This paper describes feasibility studies on environmentally harmonious coal utilization systems in developing countries, assistance to introduction thereof, and joint verification operations. To rationalize international energy usage, basic surveys on energy utilization efficiency improvement and model operations are carried out mainly in the Asia-Pacific countries.

  17. Scintillation activity in an unirradiated single crystal of 3-hydroxyxanthine

    International Nuclear Information System (INIS)

    Cooke, D.W.; Jahan, M.S.; Alexander, C. Jr.

    1976-01-01

    A method of growing single crystals (approximately 4mm long) of 3-hydroxyxanthine is described. Observed scintillations occurring in an unirradiated single crystal of this potent oncogen as the temperature is lowered from 300 to 90 K are shown. It was found that these scintillations occur upon heating or cooling and do not diminish in activity as the number of heating and cooling cycles increase. It was found that a short duration u.v. exposure would terminate the scintillation activity and various attempts (such as annealing and pressure changes) to rejuvenate them were unsuccessful. With these observations in mind speculation is made concerning the mechanisms associated with the production of purine N-oxide derivatives. (U.K.)

  18. Energy loss and charge exchange processes of high energy heavy ions channeled in crystals

    International Nuclear Information System (INIS)

    Poizat, J.C.; Andriamonje, S.; Anne, R.; Faria, N.V.d.C.; Chevallier, M.; Cohen, C.; Dural, J.; Farizon-Mazuy, B.; Gaillard, M.J.; Genre, R.; Hage-Ali, M.; Kirsch, R.; L'hoir, A.; Mory, J.; Moulin, J.; Quere, Y.; Remillieux, J.; Schmaus, D.; Toulemonde, M.

    1990-01-01

    The interaction of moving ions with single crystals is very sensitive to the orientation of the incident beam with respect to the crystalline directions of the target. Our experiments show that high energy heavy ion channeling deeply modifies their slowing down and charge exchange processes. This is due to the fact that channeled ions interact only with outershell target electrons, which means that the electron density they experience is very low and that the binding energy, and then the momentum distribution of these electrons, are quite different from the corresponding average values associated to random incidence. The two experimental studies presented here show the reduction of the energy loss rate for fast channeled heavy ions and illustrate the two aspects of channeling effects on charge exchange, the reduction of electron loss on one hand, and of electron capture on the other hand

  19. Molding resonant energy transfer by colloidal crystal: Dexter transfer and electroluminescence

    Science.gov (United States)

    González-Urbina, Luis; Kolaric, Branko; Libaers, Wim; Clays, Koen

    2010-05-01

    Building photonic crystals by combination of colloidal ordering and metal sputtering we were able to construct a system sensitive to an electrical field. In corresponding crystals we embedded the Dexter pair (Ir(ppy3) and BAlq) and investigated the influence of the band gap on the resonant energy transfer when the system is excited by light and by an electric field respectively. Our investigations extend applications of photonic crystals into the field of electroluminescence and LED technologies.

  20. Controlling Active Liquid Crystal Droplets with Temperature and Surfactant Concentration

    Science.gov (United States)

    Shechter, Jake; Milas, Peker; Ross, Jennifer

    Active matter is the study of driven many-body systems that span length scales from flocking birds to molecular motors. A previously described self-propelled particle system was made from liquid crystal (LC) droplets in water with high surfactant concentration to move particles via asymmetric surface instabilities. Using a similar system, we investigate the driving activity as a function of SDS surfactant concentration and temperature. We then use an optical tweezer to trap and locally heat the droplets to cause hydrodynamic flow and coupling between multiple droplets. This system will be the basis for a triggerable assembly system to build and couple LC droplets. DOD AROMURI 67455-CH-MUR.

  1. Stacking fault energy measurements in WSe2 single crystals using weak-beam techniques

    International Nuclear Information System (INIS)

    Agarwal, M.K.; Patel, J.V.; Patel, N.G.

    1981-01-01

    The weak-beam method of electron microscopy is used to observe threefold dislocations in WSe 2 single crystals grown by direct vapour transport method. The widths of the three fold ribbons are used to determine the stacking fault energy in these crystals. Variation of the width of the ribbons with temperature are also studied and discussed. (author)

  2. Study on light output and energy resolution of PbWO4 crystal

    International Nuclear Information System (INIS)

    Su Guanghui; Yue Ke; Sun Zhiyu

    2010-01-01

    The light output and energy resolution of PbWO 4 crystal are studied with different wrapping materials and methods. The Wrapping condition was optimized by analyzing the experimental data to gain higher light output and better energy resolution. A GEANT4-based package has been developed to simulate the corresponding features of PbWO 4 crystal, and the simulation results are consistent with the experimental data. (authors)

  3. Active shape-morphing elastomeric colloids in short-pitch cholesteric liquid crystals.

    Science.gov (United States)

    Evans, Julian S; Sun, Yaoran; Senyuk, Bohdan; Keller, Patrick; Pergamenshchik, Victor M; Lee, Taewoo; Smalyukh, Ivan I

    2013-05-03

    Active elastomeric liquid crystal particles with initial cylindrical shapes are obtained by means of soft lithography and polymerization in a strong magnetic field. Gold nanocrystals infiltrated into these particles mediate energy transfer from laser light to heat, so that the inherent coupling between the temperature-dependent order and shape allows for dynamic morphing of these particles and well-controlled stable shapes. Continuous changes of particle shapes are followed by their spontaneous realignment and transformations of director structures in the surrounding cholesteric host, as well as locomotion in the case of a nonreciprocal shape morphing. These findings bridge the fields of liquid crystal solids and active colloids, may enable shape-controlled self-assembly of adaptive composites and light-driven micromachines, and can be understood by employing simple symmetry considerations along with electrostatic analogies.

  4. An improved simulation routine for modelling coherent high-energy proton interactions with bent crystals

    CERN Document Server

    AUTHOR|(CDS)2210072; Mirarchi, Daniele; Redaelli, Stefano

    The planes in crystalline solids can constrain the directions that charged particles take as they pass through. Physicists can use this "channelling" property of crystals to steer particle beams. In a bent crystal, for example, channelled particles follow the bend and can change their direction. Experiments are being carried out to study in detail this phenomenon. The UA9 collaboration is using high energy protons and heavy ions beams from the SPS accelerator at CERN to verify the possibility of using bent crystals as primary collimators in high energy hadron colliders like the LHC. Simulations have been developed to model the coherent interaction with crystal planes. The goal of the thesis is indeed to analyze the data and develop an improved simulation routine to better describe the data’s subtleties, in particular the transition between the volume reflection and amorphous modes of beam interaction with the crystal.

  5. Energy localization and decay in highly ionic crystals

    International Nuclear Information System (INIS)

    Williams, R.T.; Thoma, E.D.; Bunton, P.H.

    1994-01-01

    Luminescence from localized states in pure wide-gap crystals is examined from the perspective of modern fast scintillator requirements. Recent advances in the understanding of self-trapped excitons are summarized with regard to excited-state configurations, spectra, and luminescence efficiency. As an example, the fast luminescence of partially quenched type I STEs (self-trapped excitons) in RbI offers tunable-lifetime subnanosecond pulses which could be useful for timing applications. The possible role of hole localization in cross luminescence is discussed. Stokes-shifted luminescence in some pure rare-earth fluoride crystals probably originates from self-trapped excitons of forms to be discussed

  6. Analysis of the crystal structure of an active MCM hexamer.

    Science.gov (United States)

    Miller, Justin M; Arachea, Buenafe T; Epling, Leslie B; Enemark, Eric J

    2014-09-29

    In a previous Research article (Froelich et al., 2014), we suggested an MCM helicase activation mechanism, but were limited in discussing the ATPase domain because it was absent from the crystal structure. Here we present the crystal structure of a nearly full-length MCM hexamer that is helicase-active and thus has all features essential for unwinding DNA. The structure is a chimera of Sulfolobus solfataricus N-terminal domain and Pyrococcus furiosus ATPase domain. We discuss three major findings: 1) a novel conformation for the A-subdomain that could play a role in MCM regulation; 2) interaction of a universally conserved glutamine in the N-terminal Allosteric Communication Loop with the AAA+ domain helix-2-insert (h2i); and 3) a recessed binding pocket for the MCM ssDNA-binding motif influenced by the h2i. We suggest that during helicase activation, the h2i clamps down on the leading strand to facilitate strand retention and regulate ATP hydrolysis.

  7. crystal

    Science.gov (United States)

    Yu, Yi; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin; Sun, Shijia; Wang, Guofu

    2014-07-01

    A Nd3+:Na2La4(WO4)7 crystal with dimensions of ϕ 17 × 30 mm3 was grown by the Czochralski method. The thermal expansion coefficients of Nd3+:Na2La4(WO4)7 crystal are 1.32 × 10-5 K-1 along c-axis and 1.23 × 10-5 K-1 along a-axis, respectively. The spectroscopic characteristics of Nd3+:Na2La4(WO4)7 crystal were investigated. The Judd-Ofelt theory was applied to calculate the spectral parameters. The absorption cross sections at 805 nm are 2.17 × 10-20 cm2 with a full width at half maximum (FWHM) of 15 nm for π-polarization, and 2.29 × 10-20 cm2 with a FWHM of 14 nm for σ-polarization. The emission cross sections are 3.19 × 10-20 cm2 for σ-polarization and 2.67 × 10-20 cm2 for π-polarization at 1,064 nm. The fluorescence quantum efficiency is 67 %. The quasi-cw laser of Nd3+:Na2La4(WO4)7 crystal was performed. The maximum output power is 80 mW. The slope efficiency is 7.12 %. The results suggest Nd3+:Na2La4(WO4)7 crystal as a promising laser crystal fit for laser diode pumping.

  8. Energy transfer mechanism between Ce and Tb ions in sol–gel synthesized YSO crystals

    International Nuclear Information System (INIS)

    Chiriu, Daniele; Stagi, Luigi; Carbonaro, Carlo Maria; Corpino, Riccardo; Ricci, Pier Carlo

    2016-01-01

    The luminescence properties of Tb and Ce in Rare Earth Doped crystalline oxides largely depend on their relative concentrations: by increasing the dopant concentration, the luminescence profile changes from blue to green because of the energy transfer among centers. The kinetic properties of the luminescence of optically excited Terbium–Cerium co-doped Y_2SiO_5 sol–gel synthesized crystal powders have been investigated as a function of the Tb dopant concentration (Ce content fixed at 1% atomic). The interaction among different Tb emitting centers and their relation with Ce centers was explained within the Inokuti-Hirayama model for a dipole–dipole energy transfer mechanism in the low-middle Tb concentration range whilst the Forster–Dexter model was applied in the middle-high Tb concentration range. The kinetic model allows elucidating the role of sensitizer and activator ion as a function of Tb concentration, successfully estimating the energy transfer mechanism efficiency and calculating the critical Tb concentration. - Highlights: • The kinetic properties of Ce, Tb recombination in YSO matrix were studied. • The Inokuti-Hirayama and Forster–Dexter models were applied. • At high Tb content, the Ce to Tb energy transfer acts through the dipole−quadrupole. • At low Tb content, the Ce to Tb energy transfer acts through the dipole−dipole. • The presence of Ce reduces the critical Tb concentration (at low Tb content).

  9. Energy transfer mechanism between Ce and Tb ions in sol–gel synthesized YSO crystals

    Energy Technology Data Exchange (ETDEWEB)

    Chiriu, Daniele; Stagi, Luigi; Carbonaro, Carlo Maria; Corpino, Riccardo; Ricci, Pier Carlo, E-mail: carlo.ricci@dsf.unica.it

    2016-03-01

    The luminescence properties of Tb and Ce in Rare Earth Doped crystalline oxides largely depend on their relative concentrations: by increasing the dopant concentration, the luminescence profile changes from blue to green because of the energy transfer among centers. The kinetic properties of the luminescence of optically excited Terbium–Cerium co-doped Y{sub 2}SiO{sub 5} sol–gel synthesized crystal powders have been investigated as a function of the Tb dopant concentration (Ce content fixed at 1% atomic). The interaction among different Tb emitting centers and their relation with Ce centers was explained within the Inokuti-Hirayama model for a dipole–dipole energy transfer mechanism in the low-middle Tb concentration range whilst the Forster–Dexter model was applied in the middle-high Tb concentration range. The kinetic model allows elucidating the role of sensitizer and activator ion as a function of Tb concentration, successfully estimating the energy transfer mechanism efficiency and calculating the critical Tb concentration. - Highlights: • The kinetic properties of Ce, Tb recombination in YSO matrix were studied. • The Inokuti-Hirayama and Forster–Dexter models were applied. • At high Tb content, the Ce to Tb energy transfer acts through the dipole−quadrupole. • At low Tb content, the Ce to Tb energy transfer acts through the dipole−dipole. • The presence of Ce reduces the critical Tb concentration (at low Tb content).

  10. Effect of crystal habits on the surface energy and cohesion of crystalline powders.

    Science.gov (United States)

    Shah, Umang V; Olusanmi, Dolapo; Narang, Ajit S; Hussain, Munir A; Gamble, John F; Tobyn, Michael J; Heng, Jerry Y Y

    2014-09-10

    The role of surface properties, influenced by particle processing, in particle-particle interactions (powder cohesion) is investigated in this study. Wetting behaviour of mefenamic acid was found to be anisotropic by sessile drop contact angle measurements on macroscopic (>1cm) single crystals, with variations in contact angle of water from 56.3° to 92.0°. This is attributed to variations in surface chemical functionality at specific facets, and confirmed using X-ray photoelectron spectroscopy (XPS). Using a finite dilution inverse gas chromatography (FD-IGC) approach, the surface energy heterogeneity of powders was determined. The surface energy profile of different mefenamic acid crystal habits was directly related to the relative exposure of different crystal facets. Cohesion, determined by a uniaxial compression test, was also found to relate to surface energy of the powders. By employing a surface modification (silanisation) approach, the contribution from crystal shape from surface area and surface energy was decoupled. By "normalising" contribution from surface energy and surface area, needle shaped crystals were found to be ∼2.5× more cohesive compared to elongated plates or hexagonal cuboid shapes crystals. Copyright © 2014. Published by Elsevier B.V.

  11. Numerical study of slip system activity and crystal lattice rotation under wedge nanoindents in tungsten single crystals

    Science.gov (United States)

    Volz, T.; Schwaiger, R.; Wang, J.; Weygand, S. M.

    2018-05-01

    Tungsten is a promising material for plasma facing components in future nuclear fusion reactors. In the present work, we numerically investigate the deformation behavior of unirradiated tungsten (a body-centered cubic (bcc) single crystal) underneath nanoindents. A finite element (FE) model is presented to simulate wedge indentation. Crystal plasticity finite element (CPFE) simulations were performed for face-centered and body-centered single crystals accounting for the slip system family {110} in the bcc crystal system and the {111} slip family in the fcc system. The 90° wedge indenter was aligned parallel to the [1 ¯01 ]-direction and indented the crystal in the [0 1 ¯0 ]-direction up to a maximum indentation depth of 2 µm. In both, the fcc and bcc single crystals, the activity of slip systems was investigated and compared. Good agreement with the results from former investigations on fcc single crystals was observed. Furthermore, the in-plane lattice rotation in the material underneath an indent was determined and compared for the fcc and bcc single crystals.

  12. Water activated doping and transport in multilayered germanane crystals

    International Nuclear Information System (INIS)

    Young, Justin R; Johnston-Halperin, Ezekiel; Chitara, Basant; Cultrara, Nicholas D; Arguilla, Maxx Q; Jiang, Shishi; Fan, Fan; Goldberger, Joshua E

    2016-01-01

    The synthesis of germanane (GeH) has opened the door for covalently functionalizable 2D materials in electronics. Herein, we demonstrate that GeH can be electronically doped by incorporating stoichiometric equivalents of phosphorus dopant atoms into the CaGe 2 precursor. The electronic properties of these doped materials show significant atmospheric sensitivity, and we observe a reduction in resistance by up to three orders of magnitude when doped samples are measured in water-containing atmospheres. This variation in resistance is a result of water activation of the phosphorus dopants. Transport measurements in different contact geometries show a significant anisotropy between in-plane and out-of-plane resistances, with a much larger out-of-plane resistance. These measurements along with finite element modeling results predict that the current distribution in top-contacted crystals is restricted to only the topmost, water activated crystal layers. Taken together, these results pave the way for future electronic and optoelectronic applications utilizing group IV graphane analogues. (paper)

  13. Demonstrating Energy Conversion with Piezoelectric Crystals and a Paddle Fan

    Science.gov (United States)

    Rakbamrung, Prissana; Putson, Chatchai; Muensit, Nantakan

    2014-01-01

    A simple energy conversion system--particularly, the conversion of mechanical energy into electrical energy by using shaker flashlights--has recently been presented. This system uses hand generators, consisting of a magnet in a tube with a coil wrapped around it, and acts as an ac source when the magnet passes back and forth through the coil.…

  14. Properties of Energy Spectra of Molecular Crystals Investigated by Nonlinear Theory

    Science.gov (United States)

    Pang, Xiao-Feng; Zhang, Huai-Wu

    We calculate the quantum energy spectra of molecular crystals, such as acetanilide, by using discrete nonlinear Schrodinger equation, containing various interactions, appropriate to the systems. The energy spectra consist of many energy bands, in each energy band there are a lot of energy levels including some higher excited states. The result of energy spectrum is basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide and can also explain some experimental results obtained by Careri et al. Finally, we further discuss the influences of variously characteristic parameters on the energy spectra of the systems.

  15. Energy Storage. Teachers Guide. Science Activities in Energy.

    Science.gov (United States)

    Jacobs, Mary Lynn, Ed.

    Included in this science activities energy package for students in grades 4-10 are 12 activities related to energy storage. Each activity is outlined on the front and back of a single sheet and is introduced by a key question. Most of the activities can be completed in the classroom with materials readily available in any community. Among the…

  16. Energy loss distributions of 7 TeV protons channeled in a bent silicon crystals

    Directory of Open Access Journals (Sweden)

    Stojanov Nace

    2013-01-01

    Full Text Available The energy loss distributions of relativistic protons axially channeled through the bent Si crystals, with the constant curvature radius, R = 50 m, are studied here. The proton energy is 7 TeV and the thickness of the crystal is varied from 1 mm to 5 mm, which corresponds to the reduced crystal thickness, L, from 2.1 to 10.6, respectively. The proton energy was chosen in accordance with the large hadron collider project, at the European Organization for Nuclear Research, in Geneva, Switzerland. The energy loss distributions of the channeled protons were generated by the computer simulation method using the numerical solution of the proton equations of motion in the transverse plane. Dispersion of the proton scattering angle caused by its collisions with the crystal’s electrons was taken into account. [Projekat Ministarstva nauke Republike Srbije, br. III 45006

  17. ENEA activities on photovoltaic energy

    International Nuclear Information System (INIS)

    Coiante, D.; Messana, C.

    1989-01-01

    Photovoltaic conversion appears to be a promising technology for producing electricity. Photovoltaic (PV) solar cells directly convert sun radiation into electricity, without needing moving parts or any kind of fuel. In a long term perspective, PV conversion is expected to become an integrative energy source; at present, high costs are the main limiting factor of the diffusion of PV technology. Costs can be reduced through the joint effect of technological innovation and mass production: therefore, the Italian strategy consists in promoting the gradual enlargement of production volumes and, at the same time, the introduction of less expensive technologies and processes, as soon as they become available. The main responsibility for PV strategies and activities is assigned to ENEA, the Italian National Commission for Nuclear and Alternative Energy Sources. The ENEA five year plan (1985-1989) had allocated about 100 M$ in the PV sector and, as a result, today ENEA is the main national organization promoting PV energy development. ENEA programs include both in house research and external activities. The latter are carried out by universities and industrial firms and concern the whole PV production process from raw materials to complete systems. In Italy there are three main industrial enterprises which produce PV modules an systems: Italsolar (formerly Pragma, ENI group), Ansaldo (IRI group) and Helios Technology, a private firm. Their total annual production capacity amounts to about 2 MW per shift, and is expected to increase in the near future. In 1986, the whole production has been about 0.7 MW: a substantial share of this production has been marketed abroad, mostly as complete systems. (author). 6 tabs

  18. A BaF2 crystal array for high energy-ray measurements

    Indian Academy of Sciences (India)

    Abstract. We shall discuss about the scientific motivation and construction of a 7 × 7 BaF2 crystal array at Variable Energy Cyclotron Centre, Calcutta. This detector would be used to measure high energy -ray photons from GDR decay and proton–neutron bremsstrahlung reactions at the present 88'' cyclotron and upcoming ...

  19. ESR studies of high-energy phosphorus-ion implanted synthetic diamond crystals

    Energy Technology Data Exchange (ETDEWEB)

    Isoya, J [University of Library and Information Science, Tsukuba, Ibaraki (Japan); Kanda, H; Morita, Y; Ohshima, T

    1997-03-01

    Phosphorus is among potential n-type dopants in diamond. High pressure synthetic diamond crystals of type IIa implanted with high energy (9-18 MeV) phosphorus ions have been studied by using electron spin resonance (ESR) technique. The intensity and the linewidth of the ESR signal attributed to the dangling bond of the amorphous phase varied with the implantation dose, suggesting the nature of the amorphization varies with the dose. The ESR signals of point defects have been observed in the low dose as-implanted crystals and in the high dose crystals annealed at high temperature and at high pressure. (author)

  20. Calculation of optical second-harmonic susceptibilities and optical activity for crystals

    International Nuclear Information System (INIS)

    Levine, Z.H.

    1994-01-01

    A new generation of nearly first-principles calculations predicts both the linear and second-harmonic susceptibilities for a variety of insulating crystals, including GaAs, GaP, AlAs, AlP, Se, α-quartz, and c-urea. The results are typically in agreement with experimental measurements. The calculations have been extended to optical activity, with somewhat less success to date. The theory, based on a simple self-energy correction to the local density approximation, and results are reviewed herein

  1. Photonic crystals cause active colour change in chameleons

    Science.gov (United States)

    Teyssier, Jérémie; Saenko, Suzanne V.; van der Marel, Dirk; Milinkovitch, Michel C.

    2015-03-01

    Many chameleons, and panther chameleons in particular, have the remarkable ability to exhibit complex and rapid colour changes during social interactions such as male contests or courtship. It is generally interpreted that these changes are due to dispersion/aggregation of pigment-containing organelles within dermal chromatophores. Here, combining microscopy, photometric videography and photonic band-gap modelling, we show that chameleons shift colour through active tuning of a lattice of guanine nanocrystals within a superficial thick layer of dermal iridophores. In addition, we show that a deeper population of iridophores with larger crystals reflects a substantial proportion of sunlight especially in the near-infrared range. The organization of iridophores into two superposed layers constitutes an evolutionary novelty for chameleons, which allows some species to combine efficient camouflage with spectacular display, while potentially providing passive thermal protection.

  2. IR Sensor Synchronizing Active Shutter Glasses for 3D HDTV with Flexible Liquid Crystal Lenses

    Directory of Open Access Journals (Sweden)

    Jeong In Han

    2013-12-01

    Full Text Available IR sensor synchronizing active shutter glasses for three-dimensional high definition television (3D HDTV were developed using a flexible liquid crystal (FLC lens. The FLC lens was made on a polycarbonate (PC substrate using conventional liquid crystal display (LCD processes. The flexible liquid crystal lens displayed a maximum transmission of 32% and total response time of 2.56 ms. The transmittance, the contrast ratio and the response time of the flexible liquid crystal lens were superior to those of glass liquid crystal lenses. Microcontroller unit and drivers were developed as part of a reception module with power supply for the IR sensor synchronizing active shutter glasses with the flexible liquid crystal lens prototypes. IR sensor synchronizing active shutter glasses for 3D HDTV with flexible liquid crystal lenses produced excellent 3D images viewing characteristics.

  3. Benzofuranyl Esters: Synthesis, Crystal Structure Determination, Antimicrobial and Antioxidant Activities

    Directory of Open Access Journals (Sweden)

    C. S. Chidan Kumar

    2015-09-01

    Full Text Available A series of five new 2‐(1‐benzofuran‐2‐yl‐2‐oxoethyl 4-(un/substitutedbenzoates 4(a–e, with the general formula of C8H5O(C=OCH2O(C=OC6H4X, X = H, Cl, CH3, OCH3 or NO2, was synthesized in high purity and good yield under mild conditions. The synthesized products 4(a–e were characterized by FTIR, 1H-, 13C- and 1H-13C HMQC NMR spectroscopic analysis and their 3D structures were confirmed by single-crystal X-ray diffraction studies. These compounds were screened for their antimicrobial and antioxidant activities. The tested compounds showed antimicrobial ability in the order of 4b < 4a < 4c < 4d < 4e and the highest potency with minimum inhibition concentration (MIC value of 125 µg/mL was observed for 4e. The results of antioxidant activities revealed the highest activity for compound 4e (32.62% ± 1.34% in diphenyl-2-picrylhydrazyl (DPPH radical scavenging, 4d (31.01% ± 4.35% in ferric reducing antioxidant power (FRAP assay and 4a (27.11% ± 1.06% in metal chelating (MC activity.

  4. Crystal structure, phytochemical study and enzyme inhibition activity of Ajaconine and Delectinine

    Science.gov (United States)

    Ahmad, Shujaat; Ahmad, Hanif; Khan, Hidayat Ullah; Shahzad, Adnan; Khan, Ezzat; Ali Shah, Syed Adnan; Ali, Mumtaz; Wadud, Abdul; Ghufran, Mehreen; Naz, Humera; Ahmad, Manzoor

    2016-11-01

    The Crystal structure, comparative DFT study and phytochemical investigation of atisine type C-20 diterpenoid alkaloid ajaconine (1) and lycoctonine type C-19 diterpenoid alkaloid delectinine (2) is reported here. These compounds were isolated from Delphinium chitralense. Both the natural products 1 and 2 crystallize in orthorhombic crystal system with identical space group of P212121. The geometric parameters of both compounds were calculated with the help of DFT using B3LYP/6-31+G (p) basis set and HOMO-LUMO energies, optimized band gaps, global hardness, ionization potential, electron affinity and global electrophilicity are calculated. The compounds 1 and 2 were screened for acetyl cholinesterase and butyryl cholinesterase inhibition activities in a dose dependent manner followed by molecular docking to explore the possible inhibitory mechanism of ajaconine (1) and delectinine (2). The IC50 values of tested compounds against AChE were observed as 12.61 μM (compound 1) and 5.04 μM (compound 2). The same experiments were performed for inhibition of BChE and IC50 was observed to be 10.18 μM (1) and 9.21 μM (2). Promising inhibition activity was shown by both the compounds against AChE and BChE in comparison with standard drugs available in the market such as allanzanthane and galanthamine. The inhibition efficiency of both the natural products was determined in a dose dependent manner.

  5. Self-organization processes and nanocluster formation in crystal lattices by low-energy ion irradiation

    International Nuclear Information System (INIS)

    Tereshko, I.; Abidzina, V.; Tereshko, A.; Glushchenko, V.; Elkin, I.

    2007-01-01

    The goal of this paper is to study self-organization processes that cause nanostructural evolution in nonlinear crystal media. The subjects of the investigation were nonlinear homogeneous and heterogeneous atom chains. The method of computer simulation was used to investigate the interaction between low-energy ions and crystal lattices. It was based on the conception of three-dimensional lattice as a nonlinear atom chain system. We showed that that in homogeneous atom chains critical energy needed for self-organization processes development is less than for nonlinear atom chain with already embedded clusters. The possibility of nanostructure formation was studied by a molecular dynamics method of nonlinear oscillations in atomic oscillator systems of crystal lattices after their low-energy ion irradiation. (authors)

  6. Superdiffusive transport and energy localization in disordered granular crystals

    International Nuclear Information System (INIS)

    Martinez, Alejandro J.; Kevrekidis, Panagiotis G.; Porter, Mason A.

    2016-01-01

    We study the spreading of initially localized excitations in one-dimensional disordered granular crystals. We thereby investigate localization phenomena in strongly nonlinear systems, which we demonstrate to be fundamentally different from localization in linear and weakly nonlinear systems. We conduct a thorough comparison of wave dynamics in chains with three different types of disorder: an uncorrelated (Anderson-like) disorder and two types of correlated disorders (which are produced by random dimer arrangements), and for two families of initial conditions: displacement perturbations and velocity perturbations. We find for strongly precompressed (i.e., weakly nonlinear) chains that the dynamics strongly depends on the initial condition. Furthermore, for displacement perturbations, the long-time asymptotic behavior of the second moment m ~ 2 has oscillations that depend on the type of disorder, with a complex trend that is markedly different from a power law and which is particularly evident for an Anderson-like disorder

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

    International Nuclear Information System (INIS)

    Guthrie, W.L.

    1983-01-01

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

  8. Origin of activation energy in a superionic conductor

    International Nuclear Information System (INIS)

    Kamishima, O; Kawamura, K; Hattori, T; Kawamura, J

    2011-01-01

    The characteristics of cation diffusion with many-body effects are discussed using Ag β-alumina as an example of a superionic conductor. Polarized Raman spectra of Ag β-alumina have been measured at room temperature. The interatomic potentials were determined by a non-linear least square fitting between the phonon eigenvalues from the Raman observations and a dynamical matrix calculation based on a rigid-ion model. The obtained potential parameters for the model crystal of Ag β-alumina successfully reproduce the macroscopic properties with respect to the heat capacity, isothermal compressibility and self-diffusion constant. A molecular dynamics (MD) calculation has been carried out using the model crystal of Ag β-alumina to understand the many-body effects for the fast ionic diffusion. It was found that the Ag-Ag repulsion by excess Ag defects significantly reduced the cost of the energy difference of the occupancy between the stable and metastable sites. It is possible for the system to take various configurations of the mobile ions through defects easily, and then the fast ionic diffusion will appear. On the other hand, the Ag-Ag repulsion changes the dynamics of the Ag ions from a random hopping to a cooperative motion. In the cooperative motion, the ionic transport becomes difficult due to the additional energy required for the structural relaxation of the surrounding Ag ions. We propose a new insight into the superionic conduction, that is, the activation energy for the ionic transport is composed of two kinds of elements: a 'static' activation energy and a 'dynamic' one. The static activation energy is the cost of the averaged energy difference in the various structural configurations in the equilibrium state. The dynamic activation energy is the additional energy required for the structural relaxation induced by the jump process.

  9. An energy-stable convex splitting for the phase-field crystal equation

    KAUST Repository

    Vignal, P.; Dalcin, L.; Brown, D. L.; Collier, N.; Calo, V. M.

    2015-01-01

    Abstract The phase-field crystal equation, a parabolic, sixth-order and nonlinear partial differential equation, has generated considerable interest as a possible solution to problems arising in molecular dynamics. Nonetheless, solving this equation is not a trivial task, as energy dissipation and mass conservation need to be verified for the numerical solution to be valid. This work addresses these issues, and proposes a novel algorithm that guarantees mass conservation, unconditional energy stability and second-order accuracy in time. Numerical results validating our proofs are presented, and two and three dimensional simulations involving crystal growth are shown, highlighting the robustness of the method. © 2015 Elsevier Ltd.

  10. Deflection of high energy channeled charged particles by elastically bent silicon single crystals

    International Nuclear Information System (INIS)

    Gibson, W.M.; Kim, I.J.; Pisharodoy, M.; Salman, S.M.; Sun, C.R.; Wang, G.H.; Wijayawardana, R.; Forster, J.S.; Mitchell, I.V.; Baker, S.I.; Carrigan, R.A. Jr.; Toohig, T.E.; Avdeichikov, V.V.; Ellison, J.A.; Siffert, P.

    1984-01-01

    An experiment has been carried out to observe the deflection of charged particles by planar channeling in bent single crystals of silicon for protons with energy up to 180 GeV. Anomolous loss of particles from the center point of a three point bending apparatus was observed at high incident particle energy. This effect has been exploited to fashion a 'dechanneling spectrometer' to study dechanneling effects due to centripital displacement of channeled particle trajectories in a bent crystal. The bending losses generally conform to the predictions of calculations based on a classical model. (orig.)

  11. An energy-stable convex splitting for the phase-field crystal equation

    KAUST Repository

    Vignal, P.

    2015-10-01

    Abstract The phase-field crystal equation, a parabolic, sixth-order and nonlinear partial differential equation, has generated considerable interest as a possible solution to problems arising in molecular dynamics. Nonetheless, solving this equation is not a trivial task, as energy dissipation and mass conservation need to be verified for the numerical solution to be valid. This work addresses these issues, and proposes a novel algorithm that guarantees mass conservation, unconditional energy stability and second-order accuracy in time. Numerical results validating our proofs are presented, and two and three dimensional simulations involving crystal growth are shown, highlighting the robustness of the method. © 2015 Elsevier Ltd.

  12. Characterization of PbWO4 crystals for high-energy physics experiments

    Science.gov (United States)

    Kim, M. J.; Park, H.; Kim, H. J.

    2016-09-01

    High-energy physics (HEP) experiments have employed many new types of scintillators. Specifically, bismuth germanate, thallium-doped cesium iodide, and lead tungstate (PbWO4, PWO) have been used for the L3 experiment; CLEO II, Belle and BES-III; and CMS, respectively. PWO has particularly beneficial properties, such as high density, fast decay time, short radiation length and radiation hardness. In this study, we tested the PWO crystals at low temperatures to determine their applicability in future calorimeters. Various crystals from the Proton Antiproton Annihilations at Darmstadt (PANDA) experiment in Giessen, the Bogoroditsk Techno-Chemical Plant (BTCP) in Russia and by Shanghai Institute of Ceramics, Chinese Academy of Sciences (SICCAS) in China were investigated. We studied the scintillation properties of PWO crystals, such as their X-ray luminescence, relative light yields, absolute light yields, energy resolutions, decay times and longitudinal uniformities of their light yields. In addition, we measured the temperature dependences of the light yields and decay times by using a 137Cs γ-ray source. The emission spectra of the PWO crystals consisted of a broad band from 350 nm to 700 nm, and the peak emission wavelength in each spectrum was 420 nm. The emission spectra of the PWO crystals from SICCAS were slightly shifted to longer wavelengths compared with those of the crystals from the other institutions.

  13. An improved simulation routine for modelling coherent high-energy proton interactions with bent crystals

    CERN Document Server

    Forcher, Francesco; Redaelli, Stefano; Zanetti, Marco; CERN. Geneva. ATS Department

    2018-01-01

    The planes in crystalline solids can constrain the directions that charged particles take as they pass through. Physicists can use this "channelling" property of crystals to steer particle beams. In a bent crystal, for example, channelled particles follow the bend and can change their direction. Several studies are on-going at CERN to verify the possibility of using bent crystals as primary collimators in high energy hadron colliders like the LHC. Simulations have been developed to model the coherent interaction with crystalline planes. The goal of this note is to analyze the data collected on extracted beam from the SPS and develop an improved model to simulate the data’s subtleties, in particular the transition between the volume reflection and amorphous interactions of the beam with crystals.

  14. Fluorescence resonance energy transfer between conjugated molecules infiltrated in three-dimensional opal photonic crystals

    International Nuclear Information System (INIS)

    Zou, Lu; Sui, Ning; Wang, Ying-Hui; Qian, Cheng; Ma, Yu-Guang; Zhang, Han-Zhuang

    2015-01-01

    Fluorescence resonance energy transfer (FRET) from Coumarin 6 (C-6) to Sulforhodamine B (S-B) infiltrated into opal PMMA (poly-methyl-methacrylate) photonic crystals (PCs) has been studied in detail. The intrinsic mesh micro-porous structure of opal PCs could increase the luminescent efficiency through inhibiting the intermolecular interaction. Meanwhile, its structure of periodically varying refractive indices could also modify the FRET through affecting the luminescence characteristics of energy donor or energy acceptor. The results demonstrate that the FRET efficiency between conjugated dyes was easily modified by opal PCs. - Highlights: • We investigate the fluorescence resonance energy transfer between two kinds of dyes. • These two kinds of dyes are infiltrated in PMMA opal photonic crystals. • The structure of opal PCs could improve the luminescent characteristics. • The structure of opal PCs could improve the energy transfer characteristics

  15. Extinction of radiant energy by large atmospheric crystals with different shapes

    International Nuclear Information System (INIS)

    Shefer, Olga

    2016-01-01

    The calculated results of extinction characteristics of visible and infrared radiation for large semi-transparent crystals are obtained by hybrid technique, which is a combination of the geometric optics method and the physical optics method. Energy and polarization characteristics of the radiation extinction in terms of the elements of the extinction matrix for individual large crystals and ensemble of crystals are discussed. Influences of particle shapes, aspect ratios, parameters of size distribution, complex refractive index, orientation of crystals, wavelength, and the polarization state of an incident radiation on the extinction are illustrated. It is shown that the most expressive and stable features of energy and polarization characteristics of the extinction are observed in the midinfrared region, despite the fact that the ice particles significantly absorb the radiant energy of this spectrum. It is demonstrated that the polarized extinction characteristics can reach several tens of percent at IR wavelengths. For the large crystals, the conditions of occurrence of the spectral behavior of the extinction coefficient in the visible, near-IR, and mid-IR wavelength ranges are determined. - Highlights: • Method of physical optics is used at coherent sum of diffracted and refracted fields. • The extinction characteristics in terms of elements of extinction matrix are obtained. • Influence of shapes and sizes of large particles on the extinction is evaluated. • Conditions of occurrence of extinction features are determined.

  16. Crystallizing hard-sphere glasses by doping with active particles

    NARCIS (Netherlands)

    Ni, Ran; Cohen Stuart, Martien A.; Dijkstra, Marjolein; Bolhuis, Peter G.

    2014-01-01

    Crystallization and vitrification are two different routes to form a solid. Normally these two processes suppress each other, with the glass transition preventing crystallization at high density (or low temperature). This is even true for systems of colloidal hard spheres, which are commonly used as

  17. Development of low-cost silicon crystal growth techniques for terrestrial photovoltaic solar energy conversion

    Science.gov (United States)

    Zoutendyk, J. A.

    1976-01-01

    Because of the growing need for new sources of electrical energy, photovoltaic solar energy conversion is being developed. Photovoltaic devices are now being produced mainly from silicon wafers obtained from the slicing and polishing of cylindrically shaped single crystal ingots. Inherently high-cost processes now being used must either be eliminated or modified to provide low-cost crystalline silicon. Basic to this pursuit is the development of new or modified methods of crystal growth and, if necessary, crystal cutting. If silicon could be grown in a form requiring no cutting, a significant cost saving would potentially be realized. Therefore, several techniques for growth in the form of ribbons or sheets are being explored. In addition, novel techniques for low-cost ingot growth and cutting are under investigation.

  18. Crystal Engineering on Industrial Diaryl Pigments Using Lattice Energy Minimizations and X-ray Powder Diffraction

    International Nuclear Information System (INIS)

    Schmidt, M.; Dinnebier, R.; Kalkhof, H.

    2007-01-01

    Diaryl azo pigments play an important role as yellow pigments for printing inks, with an annual pigment production of more than 50,000 t. The crystal structures of Pigment Yellow 12 (PY12), Pigment Yellow 13 (PY13), Pigment Yellow 14 (PY14), and Pigment Yellow 83 (PY83) were determined from X-ray powder data using lattice energy minimizations and subsequent Rietveld refinements. Details of the lattice energy minimization procedure and of the development of a torsion potential for the biphenyl fragment are given. The Rietveld refinements were carried out using rigid bodies, or constraints. It was also possible to refine all atomic positions individually without any constraint or restraint, even for PY12 having 44 independent non-hydrogen atoms per asymmetric unit. For PY14 (23 independent non-hydrogen atoms), additionally all atomic isotropic temperature factors could be refined individually. PY12 crystallized in a herringbone arrangement with twisted biaryl fragments. PY13 and PY14 formed a layer structure of planar molecules. PY83 showed a herringbone structure with planar molecules. According to quantum mechanical calculations, the twisting of the biaryl fragment results in a lower color strength of the pigments, whereas changes in the substitution pattern have almost no influence on the color strength of a single molecule. Hence, the experimentally observed lower color strength of PY12 in comparison with that of PY13 and PY83 can be explained as a pure packing effect. Further lattice energy calculations explained that the four investigated pigments crystallize in three different structures because these structures are the energetically most favorable ones for each compound. For example, for PY13, PY14, or PY83, a PY12-analogous crystal structure would lead to considerably poorer lattice energies and lower densities. In contrast, lattice energy calculations revealed that PY12 could adopt a PY13-type structure with only slightly poorer energy. This structure was

  19. Cohesion energy calculations for ternary ionic novel crystals

    International Nuclear Information System (INIS)

    Vazquez P, G.; Cabrera, E.; Mijangos, R.R.; Valdez, E.; Duarte, C.

    2001-01-01

    The present work calculates the value of the link energy of a crystalline ternary structure newly formed by alkali halides. The ternary structure prepared with different concentrations of KCl x KBrRbCl 2 maintains a very good miscibility and stability. The calculation is based on the use of a generalization of the Vegard law (which generally is valid for binary compounds) for calculating the values of the lattice constant and the repulsive m exponent. The value of the lattice parameter given by X-ray diffractometry agrees with the close approximation of the calculated value of the method used. It also compares the value of energy cohesion obtained by the Born expression with more complex approximations. (Author)

  20. Non-Resonant Magnetoelectric Energy Harvesting Utilizing Phase Transformation in Relaxor Ferroelectric Single Crystals

    Directory of Open Access Journals (Sweden)

    Peter Finkel

    2015-12-01

    Full Text Available Recent advances in phase transition transduction enabled the design of a non-resonant broadband mechanical energy harvester that is capable of delivering an energy density per cycle up to two orders of magnitude larger than resonant cantilever piezoelectric type generators. This was achieved in a [011] oriented and poled domain engineered relaxor ferroelectric single crystal, mechanically biased to a state just below the ferroelectric rhombohedral (FR-ferroelectric orthorhombic (FO phase transformation. Therefore, a small variation in an input parameter, e.g., electrical, mechanical, or thermal will generate a large output due to the significant polarization change associated with the transition. This idea was extended in the present work to design a non-resonant, multi-domain magnetoelectric composite hybrid harvester comprised of highly magnetostrictive alloy, [Fe81.4Ga18.6 (Galfenol or TbxDy1-xFe2 (Terfenol-D], and lead indium niobate–lead magnesium niobate–lead titanate (PIN-PMN-PT domain engineered relaxor ferroelectric single crystal. A small magnetic field applied to the coupled device causes the magnetostrictive element to expand, and the resulting stress forces the phase change in the relaxor ferroelectric single crystal. We have demonstrated high energy conversion in this magnetoelectric device by triggering the FR-FO transition in the single crystal by a small ac magnetic field in a broad frequency range that is important for multi-domain hybrid energy harvesting devices.

  1. On a semiclassical analysis of high energy electron diffraction by imperfect crystals: the stacking fault

    International Nuclear Information System (INIS)

    Smith, A.E.; Chadderton, L.T.; Johnson, E.

    1978-01-01

    Electron diffraction amplitudes at the lower surface of a displaced sandwich crystal are obtained for the high energy limit in the real space formulation. Using semiclassical methods analytical approximations to a resulting overlap integral - central to the problem - are derived. (Auth.)

  2. Energy transfer between the Eu2+ dipole and aggregate centers in CsBr:Eu crystals

    International Nuclear Information System (INIS)

    Zorenko, Yu.; Turchak, R.; Voznjak, T.

    2007-01-01

    The energy transfer between the Eu 2+ -V Cs dipole centers and presumable CsEuBr 3 aggregate centers has been studied in CsBr:Eu crystals by means of investigation of their time-resolved emission spectra and luminescence decay kinetics at 300 K

  3. Oscillatory Energy Exchange Between Waves Coupled by a Dynamic Artificial Crystal

    OpenAIRE

    Karenowska, Alexy D.; Tiberkevich, Vasil S.; Chumak, Andrii V.; Serga, Alexander A.; Gregg, John F.; Slavin, Andrei N.; Hillebrands, Burkard

    2011-01-01

    We describe a general mechanism of controllable energy exchange between waves propagating in a dynamic artificial crystal. We show that if a spatial periodicity is temporarily imposed on the transmission properties of a wave-carrying medium whilst a wave is inside, this wave is coupled to a secondary counter-propagating wave and energy oscillates between the two. The oscillation frequency is determined by the width of the spectral band gap created by the periodicity and the frequency differen...

  4. Lithium tantalate single crystal for pyroelectricity-based laser energy-meter: growth, application and phase transition study

    International Nuclear Information System (INIS)

    Bhaumik, Indranil; Ganesamoorthy, S.; Bhatt, R.; Karnal, A.K.; Gupta, P.K.

    2009-01-01

    Single crystals of lithium tantalate have been grown. Dielectric-spectroscopy study reveals phase transition in congruent lithium tantalate (CLT) single crystal is diffusive and frequency dependent in contrast to that in near stoichiometric lithium tantalate where it is sharper. The ac conductivity measurements show that the conductivity is lower for 0.5Mg-SLT as compared to 1.0Mg-SLT. This is explained in terms of a Li-vacancy model. Calculation of activation energy from the lnσ vs. 1000/T plot reveals that hopping of Li + ions becomes difficult for 0.5 Mg-SLT. The pyroelectric response of CLT for pulsed Nd:YAG laser output has been tested. (author)

  5. Hard photon emission from high energy electrons and positrons in single crystals

    International Nuclear Information System (INIS)

    Bajer, V.N.; Katkov, V.M.; Strakhovenko, V.M.

    1991-01-01

    A radiation of electrons and positrons in single crystals in coherent bremsstrahlung (CBS) region has been considered for the case when CBS has the most hard spectrum. Under this condition a particle moves near a crystalline plane (in fcc(d) crystal for axis (001) this is the plane (110)) and influence of the continuous plane potential should be taken into account. This potential gives additional contribution in soft part of the spectrum and affects on hard photon emission. Observation of this phenomena at high energy is discussed. 14 refs.; 5 figs.; 1 tab

  6. Radiation hardness of a single crystal CVD diamond detector for MeV energy protons

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Yuki, E-mail: y.sato@riken.jp [The Institute of Physical and Chemical Research (RIKEN), 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Shimaoka, Takehiro; Kaneko, Junichi H. [Graduate School of Engineering, Hokkaido University, N13, W8, Sapporo 060-8628 (Japan); Murakami, Hiroyuki [The Institute of Physical and Chemical Research (RIKEN), 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Isobe, Mitsutaka; Osakabe, Masaki [National Institute for Fusion Science, 322-6, Oroshi-cho Toki-city, Gifu 509-5292 (Japan); Tsubota, Masakatsu [Graduate School of Engineering, Hokkaido University, N13, W8, Sapporo 060-8628 (Japan); Ochiai, Kentaro [Fusion Research and Development Directorate, Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Chayahara, Akiyoshi; Umezawa, Hitoshi; Shikata, Shinichi [National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan)

    2015-06-01

    We have fabricated a particle detector using single crystal diamond grown by chemical vapor deposition. The irradiation dose dependence of the output pulse height from the diamond detector was measured using 3 MeV protons. The pulse height of the output signals from the diamond detector decreases as the amount of irradiation increases at count rates of 1.6–8.9 kcps because of polarization effects inside the diamond crystal. The polarization effect can be cancelled by applying a reverse bias voltage, which restores the pulse heights. Additionally, the radiation hardness performance for MeV energy protons was compared with that of a silicon surface barrier detector.

  7. Anisotropic light diffraction in crystals with a large acoustic-energy walk-off

    Science.gov (United States)

    Balakshy, V. I.; Voloshin, A. S.; Molchanov, V. Ya.

    2014-11-01

    The influence of energy walk-off in an acoustic beam on the characteristic of anisotropic Bragg diffraction of light has been investigated by the example of paratellurite crystal. The angular and frequency characteristics of acousto-optic diffraction have been calculated in wide ranges of ultrasound frequencies and Bragg angles using the modified Raman-Nath equations. It is shown that the walk-off of an acoustic beam may change (either widen or narrow) significantly the frequency and angular ranges. The calculation results have been experimentally checked on an acousto-optic cell made of 10.5°-cut paratellurite crystal.

  8. Simulation of core-level binding energy shifts in germanium-doped lead telluride crystals

    International Nuclear Information System (INIS)

    Zyubin, A.S.; Dedyulin, S.N.; Yashina, L.V.; Shtanov, V.I.

    2007-01-01

    To simulate the changes in core-level binding energies in germanium-doped lead telluride, cluster calculations of the changes in the electrostatic potential at the corresponding centers have been performed. Different locations of the Ge atom in the crystal bulk have been considered: near vacancies, near another dopant site, and near the surface. For calculating the potential in the clusters that model the bulk and the surface of the lead telluride crystal (c-PbTe), the electron density obtained in the framework of the Hartree-Fock and hybrid density functional theory (DFT) methods has been used [ru

  9. High energy proton-induced radioactivity in HgI2 crystals

    International Nuclear Information System (INIS)

    Porras, E.; Ferrero, J.L.; Sanchez, F.; Ruiz, J.A.; Lei, F.

    1995-01-01

    Mercuric iodide (HgI 2 ) semiconductor crystals are generating a lot of interest as room temperature solid state detectors for hard X-ray astronomy observations. For these applications one of the most important background sources is the cosmic proton induced radioactivity in the detector material. In order to study this background noise contribution a 1x1x1 cm HgI 2 crystal was irradiated with high energy protons. The resulting long-lived unstable isotopes and their production rates have been identified and compared with Monte Carlo simulations. ((orig.))

  10. National energy ombudsman. 2013 activity report

    International Nuclear Information System (INIS)

    Gaubert, Jean; Merville, Denis; Lechevin, Bruno; Mialot, Stephane

    2014-06-01

    The National Energy Ombudsman is an independent administrative authority that was created by the law of 7 December 2006 relating to the energy sector, in preparation for the imminent liberalisation of the French gas and electricity markets. It has two legal roles: participating in the process of informing consumers about their rights, and recommending solutions for settling disputes. The Ombudsman reports directly to the French Parliament. This report summarizes the 2013 national energy ombudsman's activity in the domains of energy transition, conciliation between energy operators and consumers, consumers information, mediation, dispute settlement, markets opening, energy prices, quality of supply, smart meters, fight against energy poverty etc

  11. Study of phonon-induced energy transfer processes in crystals using heat pulses

    International Nuclear Information System (INIS)

    Burns, A.R.

    1978-03-01

    The artificial generation of acoustic lattice vibrations by a heat pulse technique is developed in order to probe phonon interactions in molecular crystals. Specifically, the phonon-assisted delocalization of ''trapped'' excited triplet state energy in the aromatic crystal 1,2,4,5-tetrachlorobenzene (TCB) is studied in a quantitative manner by monitoring the time-resolved decrease in trap phosphorescence intensity due to the propagation of a well-defined heat pulse. The excitation distribution in a single trap system, such as the X-trap in neat h 2 -TCB, is discussed in terms of the energy partition function relating the temperature dependence of the trap phosphorescence intensity to the trap depth, exciton bandwidth, and the number of exciton band states. In a multiple trap system, such as the hd and h 2 isotopic traps in d 2 -TCB, the excitation distribution is distinctly non-Boltzmann; yet it may be discussed in terms of a preferential energy transfer between the two trap states via the exciton band. For both trap systems, a previously developed kinetic model is presented which relates the efficiency of trap-band energy exchange to the density of band states and the trap-phonon coupling matrix elements. A bolometric technique for determining the thermal response time of the heater/crystal system is presented. The phonon mean free path in the crystal is size-limited, and the heater/crystal boundary conductance is reasonably close to previously reported values. The theory of heat pulse phonon spectroscopy is presented and discussed in terms of black-body phonon radiation

  12. Picosecond excitation energy transfer of allophycocyanin studied in solution and in crystals.

    Science.gov (United States)

    Ranjbar Choubeh, Reza; Sonani, Ravi R; Madamwar, Datta; Struik, Paul C; Bader, Arjen N; Robert, Bruno; van Amerongen, Herbert

    2018-03-01

    Cyanobacteria perform photosynthesis with the use of large light-harvesting antennae called phycobilisomes (PBSs). These hemispherical PBSs contain hundreds of open-chain tetrapyrrole chromophores bound to different peptides, providing an arrangement in which excitation energy is funnelled towards the PBS core from where it can be transferred to photosystem I and/or photosystem II. In the PBS core, many allophycocyanin (APC) trimers are present, red-light-absorbing phycobiliproteins that covalently bind phycocyanobilin (PCB) chromophores. APC trimers were amongst the first light-harvesting complexes to be crystallized. APC trimers have two spectrally different PCBs per monomer, a high- and a low-energy pigment. The crystal structure of the APC trimer reveals the close distance (~21 Å) between those two chromophores (the distance within one monomer is ~51 Å) and this explains the ultrafast (~1 ps) excitation energy transfer (EET) between them. Both chromophores adopt a somewhat different structure, which is held responsible for their spectral difference. Here we used spectrally resolved picosecond fluorescence to study EET in these APC trimers both in crystallized and in solubilized form. We found that not all closely spaced pigment couples consist of a low- and a high-energy pigment. In ~10% of the cases, a couple consists of two high-energy pigments. EET to a low-energy pigment, which can spectrally be resolved, occurs on a time scale of tens of picoseconds. This transfer turns out to be three times faster in the crystal than in the solution. The spectral characteristics and the time scale of this transfer component are similar to what have been observed in the whole cells of Synechocystis sp. PCC 6803, for which it was ascribed to EET from C-phycocyanin to APC. The present results thus demonstrate that part of this transfer should probably also be ascribed to EET within APC trimers.

  13. Interaction energy of interface dislocation loops in piezoelectric bi-crystals

    Directory of Open Access Journals (Sweden)

    Jianghong Yuan

    2017-03-01

    Full Text Available Interface dislocations may dramatically change the electric properties, such as polarization, of the piezoelectric crystals. In this paper, we study the linear interactions of two interface dislocation loops with arbitrary shape in generally anisotropic piezoelectric bi-crystals. A simple formula for calculating the interaction energy of the interface dislocation loops is derived and given by a double line integral along two closed dislocation curves. Particularly, interactions between two straight segments of the interface dislocations are solved analytically, which can be applied to approximate any curved loop so that an analytical solution can be also achieved. Numerical results show the influence of the bi-crystal interface as well as the material orientation on the interaction of interface dislocation loops.

  14. Removing grain boundaries from three-dimensional colloidal crystals using active dopants

    NARCIS (Netherlands)

    van der Meer, B.; Dijkstra, M.; Filion, L.C.

    2016-01-01

    Using computer simulations we explore how grain boundaries can be removed from three-dimensional colloidal crystals by doping with a small fraction of active colloids. We show that for sufficient selfpropulsion, the system is driven into a crystal-fluid coexistence. In this phase separated regime,

  15. Can Crystal Symmetry and Packing Influence the Active Site Conformation of Homohexameric Purine Nucleoside Phosphorylases?

    Directory of Open Access Journals (Sweden)

    Marija Luić

    2016-06-01

    Full Text Available It is generaly believed that enzymes retain most of their functionality in the crystal form due to the large solvent content of protein crystals. This is facilitated by the fact that their natural environment in solution is not too far from the one found in the crystal form. Nevertheless, if the nature of the enzyme is such to require conformational changes, overcoming of the crystal packing constraints may prove to be too difficult. Such conformational change is present in one class of enzymes (purine nucleoside phosphorylases, that is the subject of our scientific interest for many years. The influence of crystal symmetry and crystal packing on the conformation of the active sites in the case of homohexameric purine nucleoside phosphorylases is presented and analysed. This work is licensed under a Creative Commons Attribution 4.0 International License.

  16. Crystal structure and energy band and optical properties of phosphate Sr3P4O13

    International Nuclear Information System (INIS)

    Zhang, Y.-C.; Cheng, W.-D.; Wu, D.-S.; Zhang, H.; Chen, D.-G.; Gong, Y.-J.; Kan, Z.-G.

    2004-01-01

    A single crystal of the compound Sr 3 P 4 O 13 has been found and the crystal structure has been characterized by means of single crystal X-ray diffraction analysis. The compound crystallizes in triclinic system and belongs to space group P1-bar. It builds up from SrO 7 polyhedra and P 4 O 13 -6 anions and has a layered structure, and the Sr atoms are located in the interlayer space. The absorption and luminescence spectrum of Sr 3 P 4 O 13 microcrystals have been measured. The calculated results of crystal energy band structure by the DFT show that the solid state of Sr 3 P 4 O 13 is an isolator with direct band gap. The calculated total and partial density of states indicate that the top valence bands are contributions from P 3p and O 2p states and low conduction bands mostly originate from Sr atomic states. The calculated optical response functions expect that the Sr 3 P 4 O 13 is a low refractive index, and it is possible that the Sr 3 P 4 O 13 is used to make transparent material between the UV and FR light zone

  17. The significance of temperature dependence on the piezoelectric energy harvesting by using a phononic crystal

    Science.gov (United States)

    Aly, Arafa H.; Nagaty, Ahmed; Khalifa, Zaki; Mehaney, Ahmed

    2018-05-01

    In this study, an acoustic energy harvester based on a two-dimensional phononic crystal has been constructed. The present structure consists of silicon cylinders in the air background with a polyvinylidene fluoride cylinder as a defect to confine the acoustic energy. The presented energy harvester depends on the piezoelectric effect (using the piezoelectric material polyvinylidene fluoride) that converts the confined acoustic energy to electric energy. The maximum output voltage obtained equals 170 mV. Moreover, the results revealed that the output voltage can be increased with increasing temperature. In addition, the effects of the load resistance and the geometry of the piezoelectric material on the output voltage have been studied theoretically. Based on these results, all previous studies about energy harvesting in phononic structures must take temperature effects into account.

  18. Experimental and analytical parametric study of single-crystal unimorph beams for vibration energy harvesting.

    Science.gov (United States)

    Karami, M Amin; Bilgen, Onur; Inman, Daniel J; Friswell, Michael I

    2011-07-01

    This research presents an experimental and theoretical energy harvesting characterization of beam-like, uniform cross-section, unimorph structures employing single-crystal piezoelectrics. Different piezoelectric materials, substrates, and configurations are examined to identify the best design configuration for lightweight energy harvesting devices for low-power applications. Three types of piezoelectrics (singlecrystal PMN-PZT, polycrystalline PZT-5A, and PZT-5H-type monolithic ceramics) are evaluated in a unimorph cantilevered beam configuration. The devices have been excited by harmonic base acceleration. All of the experimental characteristics have been used to validate an exact electromechanical model of the harvester. The study shows the optimum choice of substrate material for single-crystal piezoelectric energy harvesting. Comparison of energy scavengers with stainless steel substrates reveals that single-crystal harvesters produce superior power compared with polycrystalline devices. To further optimize the power harvesting, we study the relation between the thickness of the substrate and the power output for different substrate materials. The relation between power and substrate thickness profoundly varies among different substrate materials. The variation is understood by examining the change of mechanical transmissibility and the variations of the coupling figure of merit of the harvesters with thickness ratio. The investigation identifies the optimal thickness of the substrate for different substrate materials. The study also shows that the densities of the substrates and their mechanical damping coefficients have significant effects on the power output.

  19. High-energy e- /e+ spectrometer via coherent interaction in a bent crystal

    Science.gov (United States)

    Bagli, Enrico; Guidi, Vincenzo; Howard, Alexander

    2018-01-01

    We propose a novel spectrometer based on the crystal channeling effect capable of discriminating between positive and negative particles well beyond the TeV energy scale. The atomic order of a crystalline structure generates an electrostatic field built up by all the atoms in the crystals, which confines charged particle trajectories between neighbouring atomic planes. Through such an interaction in a tiny curved crystal, the same dynamical action on the highest energy particles as that of a huge superconducting magnet is achieved. Depending on the charge sign, points of equilibrium of the oscillatory motion under channeling lie between or on atomic planes for positive and negative particles, respectively, forcing positive particles to stably oscillate far from the planes, while negative ones repeatedly cross them. The different interaction rate with atomic planes causes a tremendous discrepancy between the deflection efficiency of positive and negative particles under channeling. We suggest the use of interactions between charged particles and oriented bent crystals as a novel non-cryogenic passive charge spectrometer to aid the search for dark matter in the Universe in satellite-borne experiment. The limited angular acceptance makes this technique particularly suited for directional local sources of energetic charged particles.

  20. Hybrid energy harvesting using active thermal backplane

    Science.gov (United States)

    Kim, Hyun-Wook; Lee, Dong-Gun

    2016-04-01

    In this study, we demonstrate the concept of a new hybrid energy harvesting system by combing solar cells with magneto-thermoelectric generator (MTG, i.e., thermal energy harvesting). The silicon solar cell can easily reach high temperature under normal operating conditions. Thus the heated solar cell becomes rapidly less efficient as the temperature of solar cell rises. To increase the efficiency of the solar cell, air or water-based cooling system is used. To surpass conventional cooling devices requiring additional power as well as large working space for air/water collectors, we develop a new technology of pairing an active thermal backplane (ATB) to solar cell. The ATB design is based on MTG technology utilizing the physics of the 2nd order phase transition of active ferromagnetic materials. The MTG is cost-effective conversion of thermal energy to electrical energy and is fundamentally different from Seebeck TEG devices. The ATB (MTG) is in addition to being an energy conversion system, a very good conveyor of heat through both conduction and convection. Therefore, the ATB can provide dual-mode for the proposed hybrid energy harvesting. One is active convective and conductive cooling for heated solar cell. Another is active thermal energy harvesting from heat of solar cell. These novel hybrid energy harvesting device have potentially simultaneous energy conversion capability of solar and thermal energy into electricity. The results presented can be used for better understanding of hybrid energy harvesting system that can be integrated into commercial applications.

  1. Argentine nuclear energy standardization activities

    International Nuclear Information System (INIS)

    Boero, Norma; Corcuera, Roberto; Palacios, Tulio A.; Hey, Alfredo M.; Berte, G.; Trama, L.

    2004-01-01

    The International Organization for Standardization (ISO) has more than 200 Technical Committees that develop technical standards. During April 2004 took place in Buenos Aires the 14th Plenary of the ISO/TC 85 Nuclear Energy Committee. During this Plenary issues as Nuclear Terminology, Radiation Protection, Nuclear Fuels, Nuclear Reactors and Irradiation Dosimetry was dealt with. 105 International delegates and 45 National delegates (belonging to CNEA, ARN, NASA, INVAP, CONUAR, IONICS and other organizations) attended the meetings. During this meeting ISO/TC 85 changed its scope; the new scope of the Committee is 'Standardization in the fields of peaceful applications of nuclear energy and of the protection of individuals against all sources of ionizing radiations'. This work summarizes the most important advances and resolutions about the development of standards taken during this meeting as well as the main conclusions. (author) [es

  2. 14 MeV neutron activation analysis for oxygen determination in silicon single-crystals

    International Nuclear Information System (INIS)

    Timus, D.M.; Galatanu, V.; Catana, D.

    1985-01-01

    The nondestructive fast neutron activation method has been applied for the total oxygen content determination with regards to the correlation of this content with the material properties of the silicon. The nuclear reaction used is: 16 O (n,p) 16 N, (Tsub(1/2)=7,4 s). The equipment and experimental set-up of the analytical system contained fast neutron generator GENEDAC, gamma scintillation detector (NaI crystal), a photomultiplier, a preamplifier, a linear amplifier with variable energy discrimination thresholds and a pneumatic conveyor system. The method proposed is rapid (total analysis time is less than 60 s), specific (allows a good energetic discrimination in relation to other elements) and precise, being able to characterize nondestructively the whole volume of the analysed sample

  3. Validation of a Crystal Plasticity Model Using High Energy Diffraction Microscopy

    Science.gov (United States)

    Beaudoin, A. J.; Obstalecki, M.; Storer, R.; Tayon, W.; Mach, J.; Kenesei, P.; Lienert, U.

    2012-01-01

    High energy diffraction microscopy is used to measure the crystallographic orientation and evolution of lattice strain in an Al Li alloy. The relative spatial arrangement of the several pancake-shaped grains in a tensile sample is determined through in situ and ex situ techniques. A model for crystal plasticity with continuity of lattice spin is posed, where grains are represented by layers in a finite element mesh following the arrangement indicated by experiment. Comparison is drawn between experiment and simulation.

  4. Atomic Energy Research benchmark activity

    International Nuclear Information System (INIS)

    Makai, M.

    1998-01-01

    The test problems utilized in the validation and verification process of computer programs in Atomic Energie Research are collected into one bunch. This is the first step towards issuing a volume in which tests for VVER are collected, along with reference solutions and a number of solutions. The benchmarks do not include the ZR-6 experiments because they have been published along with a number of comparisons in the Final reports of TIC. The present collection focuses on operational and mathematical benchmarks which cover almost the entire range of reaktor calculation. (Author)

  5. Cyclodextrin Reduces Cholesterol Crystal-Induced Inflammation by Modulating Complement Activation

    DEFF Research Database (Denmark)

    Bakke, Siril S; Aune, Marie H; Niyonzima, Nathalie

    2017-01-01

    Cholesterol crystals (CC) are abundant in atherosclerotic plaques and promote inflammatory responses via the complement system and inflammasome activation. Cyclic oligosaccharide 2-hydroxypropyl-β-cyclodextrin (BCD) is a compound that solubilizes lipophilic substances. Recently we have shown...

  6. Synthesis, X-ray crystal structure, DNA binding and Nuclease activity ...

    Indian Academy of Sciences (India)

    s12039-016-1125-x. Synthesis, X-ray crystal structure, DNA binding and Nuclease activity of lanthanide(III) complexes of 2-benzoylpyridine acetylhydrazone. KARREDDULA RAJA, AKKILI SUSEELAMMA and KATREDDI HUSSAIN REDDY. ∗.

  7. Crystal growth nucleation and Fermi energy equalization of intrinsic spherical nuclei in glass-forming melts

    Directory of Open Access Journals (Sweden)

    Robert F Tournier

    2009-01-01

    Full Text Available The energy saving resulting from the equalization of Fermi energies of a crystal and its melt is added to the Gibbs free-energy change ΔG2ls associated with a crystal formation in glass-forming melts. This negative contribution being a fraction ε ls(T of the fusion heat is created by the electrostatic potential energy −U0 resulting from the electron transfer from the crystal to the melt and is maximum at the melting temperature Tm in agreement with a thermodynamics constraint. The homogeneous nucleation critical temperature T2, the nucleation critical barrier ΔG2ls*/kBT and the critical radius R*2ls are determined as functions of εls(T. In bulk metallic glass forming melts, εls(T and T2 only depend on the free-volume disappearance temperature T0l, and εls(Tm is larger than 1 (T0l>Tm/3; in conventional undercooled melts εls(Tm is smaller than 1 (T0l>Tm/3. Unmelted intrinsic crystals act as growth nuclei reducing ΔG2ls*/kBT and the nucleation time. The temperature-time transformation diagrams of Mg65Y10 Cu25, Zr41.2Ti13.8 Cu12.5Ni10Be22.5, Pd43Cu27 Ni10P20, Fe83B17 and Ni melts are predicted using classic nucleation models including time lags in transient nucleation, by varying the intrinsic nucleus contribution to the reduction of ΔG2ls*/kBT. The energy-saving coefficient ε nm(T of an unmelted crystal of radius Rnm is reduced when Rnm LtR*2ls; εnm is quantified and corresponds to the first energy level of one s-electron moving in vacuum in the same spherical attractive potential −U0 despite the fact that the charge screening is built by many-body effects.

  8. Machine learning for the structure-energy-property landscapes of molecular crystals.

    Science.gov (United States)

    Musil, Félix; De, Sandip; Yang, Jack; Campbell, Joshua E; Day, Graeme M; Ceriotti, Michele

    2018-02-07

    Molecular crystals play an important role in several fields of science and technology. They frequently crystallize in different polymorphs with substantially different physical properties. To help guide the synthesis of candidate materials, atomic-scale modelling can be used to enumerate the stable polymorphs and to predict their properties, as well as to propose heuristic rules to rationalize the correlations between crystal structure and materials properties. Here we show how a recently-developed machine-learning (ML) framework can be used to achieve inexpensive and accurate predictions of the stability and properties of polymorphs, and a data-driven classification that is less biased and more flexible than typical heuristic rules. We discuss, as examples, the lattice energy and property landscapes of pentacene and two azapentacene isomers that are of interest as organic semiconductor materials. We show that we can estimate force field or DFT lattice energies with sub-kJ mol -1 accuracy, using only a few hundred reference configurations, and reduce by a factor of ten the computational effort needed to predict charge mobility in the crystal structures. The automatic structural classification of the polymorphs reveals a more detailed picture of molecular packing than that provided by conventional heuristics, and helps disentangle the role of hydrogen bonded and π-stacking interactions in determining molecular self-assembly. This observation demonstrates that ML is not just a black-box scheme to interpolate between reference calculations, but can also be used as a tool to gain intuitive insights into structure-property relations in molecular crystal engineering.

  9. Accurate measurement of the optical activity of alanine crystals and the determination of their absolute chirality

    Science.gov (United States)

    Ishikawa, Kazuhiko; Terasawa, Yukana; Tanaka, Masahito; Asahi, Toru

    2017-05-01

    Wavelength dependence measurements of the chiroptical properties in alanine crystals have so far been unsuccessful using conventional spectroscopic techniques. We describe our attempts to measure the wavelength dependence of the optical activity in L- and D-alanine crystals along each crystallographic axis, and to determine the absolute chirality of alanine crystals by correlating the absolute structure to the optical activity using an x-ray diffractometer and a generalized high accuracy universal polarimeter. We have succeeded in accurately measuring the optical rotatory dispersion in the direction, which shows that the optical rotation of the D-alanine crystal is dextrorotatory and that of the L-alanine crystal is laevorotatory, thereby determining the absolute chirality. Furthermore, comparison with the optical activity in solution shows that the optical activity in alanine crystals is different not only in value, but also in the sign. These results have led us to conclude that the optical rotatory power in the crystalline state should not be simply the summation of molecular optical rotatory power values. We propose the necessity of a theory, which contains the contribution of molecular interactions within the crystal, in order to calculate the optical rotatory power of the crystalline state.

  10. Polarization effects for pair creation by photon in oriented crystals at high energy

    International Nuclear Information System (INIS)

    Baier, V.N.; Katkov, V.M.

    2006-01-01

    Pair creation by a photon in an oriented crystal is considered in the frame of the quasiclassical operator method, which includes processes with polarized particles. Under some quite generic assumptions the general expression is derived for the probability of pair creation of longitudinally polarized electron (positron) by circularly polarized photon in oriented crystal. In the particular cases θ > V /m (θ is the angle of incidence, angle between the momentum of the initial photon and axis (plane) of crystal, V is the scale of a potential of axis or a plane relative to which the angle θ is defined) one has the constant field approximation and the coherent pair production theory correspondingly. Side by side with coherent process the probability of incoherent pair creation is calculated, which differs essentially from amorphous one. At high energy the pair creation in oriented crystal is strongly enhanced comparing with the amorphous medium. In the corresponding appendixes the integral polarization of positron is found in an external field and for the coherent and incoherent mechanisms

  11. Magnetoresponsive discoidal photonic crystals toward active color pigments.

    Science.gov (United States)

    Lee, Hye Soo; Kim, Ju Hyeon; Lee, Joon-Seok; Sim, Jae Young; Seo, Jung Yoon; Oh, You-Kwan; Yang, Seung-Man; Kim, Shin-Hyun

    2014-09-03

    Photonic microdisks with a multilayered structure are designed from photocurable suspensions by step-by-step photolithography. In each step of photolithography, either a colloidal photonic crystal or a magnetic-particle-laden layer is stacked over the windows of a photomask. Sequential photolithography enables the creation of multilayered photonic microdisks that have brilliant structural colors that can be switched by an external magnetic field. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Determination of Metastable Zone Width, Induction Period and Interfacial Energy of a Ferroelectric Crystal - Potassium Ferrocyanide Trihydrate (KFCT

    Directory of Open Access Journals (Sweden)

    R. Kanagadurai

    2010-01-01

    Full Text Available An order-disorder type potassium ferrocyanide trihydrate (KFCT is a coordination compound forming lemon- yellow monoclinic ferroelectric crystals with curie temperature 251 K. KFCT crystals have been grown by temperature lowering solution growth technique. Solubility of KFCT has been determined for various temperatures. Metastable zone width, induction period and interfacial energy were determined for the aqueous solution of KFCT. Bulk crystal of potassium ferrocyanide trihydrate was grown with the optimized growth parameters. The grown crystal possesses good optical transmission in the entire UV-Visible region

  13. Educational activities of CAREER: Crystallization Kinetics in Volcanology

    Science.gov (United States)

    Hammer, J. E.

    2011-12-01

    Professional development of teachers is recognized as critical for improving student learning outcomes. The major outreach initiative of my CAREER award was to develop a teacher professional development program for middle school (grades 6-8) teachers that would improve teacher's mastery of geoscience and basic science skills and practices and expose them to an authentic research environment. The explicit objectives of the Research Experience for Teachers in Volcano-Petrology (RET/V-P) were for teachers to (1) master technical skills for safe and productive laboratory work, (2) deepen understanding of science content, (3) develop scientific "habits of the mind" as outlined in the National Science Standards, and (4) hone science communication skills. Six teachers, one undergraduate, and two graduate students participated in the teacher professional development program during the summers of the CAREER award period. A subsequent EAR award now supports the program, and summer 2011 saw the participation of five additional teachers. The teachers span a wide range of educational backgrounds, prior exposure to geoscience, and teaching assignments at public and private schools. Each year, the program was modified using formative and summative evaluation tools to better serve the scheduling needs and content preferences. In general, the program has evolved from an emphasis on research exposure to an emphasis on imparting basic geoscience concepts. A myriad of approaches including field trips to local outcrops, lecture tutorials and lecture-based active engagement exercises (such as iclicker delivery of Geoscience Concept Inventory questions), with a taste of laboratory work (crystal growth experiments, optics primer), has emerged as the most successful means of achieving objectives 1-4, above. The first summer I advertised the RET/V-P, no teachers applied. (This challenge was overcome in subsequent years by targeting the solicitation using teacher list serves, the Hawaii

  14. Characteristic electron energy loss in lanthanum films adsorbed on tungsten (110) single crystal

    International Nuclear Information System (INIS)

    Gorodetskij, D.A.; Gorchinskij, A.D.; Kobylyanskij, A.V.

    1988-01-01

    The spectrum of electron energy loss (ELS) in a wide range of energy loss 0-150 eV has been studied for La films adsorbed on W(110) single crystal with the coverage Θ from submonolayer to a few monolayers. The concentration dependence of loss energy peaks amplitude of different nature has been studied for the adsorption of rare earth element on refractory substrate. It has been shown that the essential information for the interpretation of the energy loss nature may be obtained by the investigation of such dependences for La adsorption on W(110). It is found that the surface and bulk plasmons peaks appear in ELS of La-W(110) system before the completion of the physical monolayer. Thus, the collectivization of valence electrons in the rare earth element film at the transition metal surface ensues for the submonolayer coverage like in the case of collective processes in alkali and alkaline earth element films

  15. Energy measurements of thermally stimulated exoelectrons from LiF single crystals

    International Nuclear Information System (INIS)

    Kubozoe, T.; Watanabe, Y.

    1986-01-01

    In the course of energy measurements of thermally stimulated exoelectrons from LiF single crystal irradiated with X rays, the integral energy spectrum is found to be broad and to deviate from an exponential distribution, and the onset of saturation current is not around zero volts. However, with an increasing period of illumination with UV radiation just after X-ray irradiation, the onset of saturation current goes toward zero volts and the energy spectrum can be approximated by an exponential distribution. The mean energy is then evaluated to be approximately 0.3 eV. Experimental spectra are compared with those of Monte Carlo calculations based on a model with an overthermal exponential distribution, taking into account electron-phonon interactions and satisfactory agreement is obtained. (author)

  16. Fabricating large two-dimensional single colloidal crystals by doping with active particles

    NARCIS (Netherlands)

    van der Meer, B; Filion, L; Dijkstra, M

    2016-01-01

    Using simulations we explore the behaviour of two-dimensional colloidal (poly)crystals doped with active particles. We show that these active dopants can provide an elegant new route to removing grain boundaries in polycrystals. Specifically, we show that active dopants both generate and are

  17. Studies of lead tungstate crystal matrices in high energy beams for the CMS electromagnetic calorimeter at the LHC

    CERN Document Server

    Alexeev, G; Baillon, Paul; Barney, D; Bassompierre, Gabriel; Bateman, E; Bell, K W; Benhammou, Ya; Bloch, P; Bomestar, D; Borgia, B; Bourotte, J; Burge, S R; Cameron, W; Chipaux, Rémi; Cockerill, D J A; Connolly, J; Dafinei, I; Denes, P; Depasse, P; Deiters, K; Dobrzynski, Ludwik; El-Mamouni, H; Faure, J L; Felcini, Marta; Finger, M H; Flügel, T; Gautheron, F; Givernaud, Alain; Gninenko, S N; Godinovic, N; Graham, D J; Guillaud, J P; Guschin, E; Haguenauer, Maurice; Hillemanns, H; Hofer, H; Ille, B; Jääskeläinen, S; Katchanov, V A; Kennedy, B W; Kirn, T; Korzhik, M V; Lassila-Perini, K M; Lebeau, M; Lebrun, P; Lecoq, P; Lecoeur, Gérard; Lecomte, P; Leonardi, E; Locci, E; Loos, R; Ma, D; Martin, F; Mendiburu, J P; Musienko, Yu V; Nédélec, P; Nessi-Tedaldi, F; Newbold, D; Newman, H; Oukhanov, M; Pacciani, L; Peigneux, J P; Pirro, S; Popov, S; Puljak, I; Purves, C; Renker, D; Rondeaux, F; Rosso, E; Rusack, R W; Rykaczewski, H; Schmitz, D; Schneegans, M; Schwenke, J; Seez, Christopher J; Semeniouk, I N; Shagin, P M; Shevchenko, S; Shi, X; Sillou, D; Simohand, D; Singovsky, A V; Soric, I; Smith, B; Stephenson, R; Verrecchia, P; Vialle, J P; Virdee, Tejinder S; Zhu, R Y

    1997-01-01

    Using matrices of lead tungstate crystals energy resolutions better than 0.6% at 100 GeV have been achieved in the test beam in 1995. It has been demonstrated that a lead tungstate electromagnetic calorimeter read out by avalanche photodiodes can consistently achieve the excellent energy resolutions necessary to justify its construction in the CMS detector. The performance achieved has been understood in terms of the properties of the crystals and photodetectors.

  18. Irradiation of electron with high energy induced micro-crystallization of amorphous silicon

    International Nuclear Information System (INIS)

    Zhong Yule; Huang Junkai; Liu Weiping; Li Jingna

    2001-01-01

    Amorphous silicon is amorphous alloy of Si-H. It is random network of silicon with some hydrogen. And its structure has many unstable bonds as weak bonds of Si-Si and distortion bonds of all kinds. The bonds was broken or was out of shape by light and electrical ageing. It induced increase of defective state that causes character of material going to bad. This drawback will be overcome after micro-crystallization of amorphous silicon. It was discovered that a-Si:H was micro-crystallized by irradiated of electrons with energy of 0.3-0.5 MeV, density of electronic beam of 1.3 x 10 19 cm -1 s -1 and irradiated time of 10-600 s. Size of grain is 10-20 nm. Thick of microcrystalline lager is 25-250 nm

  19. Analysis of crystallite size and microdeformation crystal lattice the tungsten carbide milling in mill high energy

    International Nuclear Information System (INIS)

    Silva, F.T. da; Nunes, M.A.M.; Souza, C.P. de; Gomes, U.U.

    2010-01-01

    The tungsten carbide (WC) has wide application due to its properties like high melting point, high hardness, wear resistance, oxidation resistance and good electrical conductivity. The microstructural characteristics of the starting powders influences the final properties of the carbide. In this context, the use of nanoparticle powders is an efficient way to improve the final properties of the WC. The high energy milling stands out from other processes to obtain nanometric powders due to constant microstructural changes caused by this process. Therefore, the objective is to undertake an analysis of microstructural characteristics on the crystallite size and microdeformations of the crystal lattice using the technique of X-ray diffraction (XRD) using the Rietveld refinement. The results show an efficiency of the milling process to reduce the crystallite size, leading to a significant deformation in the crystal lattice of WC from 5h milling. (author)

  20. Water Activated Doping and Transport in Multilayered Germanane Crystals

    Science.gov (United States)

    2015-09-21

    Justin Young, Basant Chitara , Nicholas Cultrara , Maxx Q Arguilla , Shishi Jiang, Fan Fan , Ezekiel Johnston-Halperin, Joshua E Goldberger 611102 c...Crystals Justin R Young1, Basant Chitara2, Nicholas D Cultrara2, Maxx Q Arguilla2, Shishi Jiang2, Fan Fan2 Ezekiel Johnston-Halperin1, Joshua E...Optoelectronics ACS Nano 7 5660-5 [9] Zhang Y, Tan Y-W, Stormer H L and Kim P 2005 Experimental observation of the quantum Hall effect and Berry’s phase in

  1. Luminescence of the SrCl2:Pr crystals under high-energy excitation

    International Nuclear Information System (INIS)

    Antonyak, O.T.; Voloshinovskii, A.S.; Vistovskyy, V.V.; Stryganyuk, G.B.; Kregel, O.P.

    2014-01-01

    The present research was carried out in order to elucidate the mechanisms of energy transfer from the crystal lattice to Pr 3+ ions in SrCl 2 . The luminescence excitation and emission spectra as well as luminescence kinetics of the SrCl 2 :Pr single crystals containing 0.2 mol% Pr were investigated at 300 and 10 K using the vacuum ultraviolet (VUV) synchrotron radiation. The X-ray excited luminescence spectra of the SrCl 2 :Pr (C Pr =0.2 and 0.5 mol%) and SrCl 2 :Pr, K (C Pr =1.5 mol%; C K =1.5 mol%) crystals were studied at 294 and 80 K. Under optical excitation of the samples in the Pr 3+ absorption bands, there were observed five fast ultraviolet emissions assigned to the 4f 1 5d→4f 2 transitions, and two long-wave bands corresponding to the f–f transitions. Furthermore, the intrinsic emission bands of SrCl 2 were observed at 10 K. The X-ray excited luminescence spectrum of the SrCl 2 :Pr crystal containing 0.2 mol% Pr, besides intrinsic emission band near 400 nm, has got a long-wave band at about 490 nm of the Pr 3+ centers. There were not observed any emission bands of the Pr 3+ centers corresponding to the 4f 1 5d–4f 2 transitions in the X-ray excited luminescence spectrum of the SrCl 2 :Pr crystal. The possible mechanisms of energy transfer from the SrCl 2 matrix to the Pr 3+ centers are discussed. -- Highlights: • Spectral-luminescent properties of SrCl 2 :Pr have been investigated. • The identification of emission 4f–4f and 5d–4f bands of Pr 3+ ions was performed. • Adding of potassium prevents clustering of the Pr 3+ centers in the SrCl 2 :Pr, K crystals. • Under X-ray excitation at 80–300 K only Pr 3+ 4f–4f and intrinsic emission is observed

  2. Effects of supported (nBuCp)2ZrCl2 catalyst active center multiplicity on crystallization kinetics of ethylene homo- and copolymers

    KAUST Repository

    Atiqullah, Muhammad

    2014-07-01

    Two different supported zirconocene, that is, bis(n-butylcyclopentadienyl) zirconium dichloride (nBuCp)2ZrCl2, catalysts were synthesized. Each catalyst was used to prepare one ethylene homopolymer and one ethylene-1-hexene copolymer. Catalyst active center multiplicity and polymer crystallization kinetics were modeled. Five separate active center types were predicted, which matched the successive self-nucleation and annealing (SSA) peak temperatures. The predicted crystallinity well matched the differential scanning calorimetric (DSC) values for a single Avrami-Erofeev index, which ranged between 2 and 3 for the polymers experimented. The estimated apparent crystallization activation energy Ea did not vary with cooling rates, relative crystallinity α, and crystallization time or temperature. Therefore, the concept of variable/instantaneous activation energy was not found to hold. Ea linearly increased with the weight average lamellar thickness Lwav DSC-GT; and for each homopolymer, it exceeded that of the corresponding copolymer. Higher Ea, hence slower crystallization, was identified as a pre-requisite to attain higher crystallinity. Crystallization parameters were correlated to polymer backbone parameters, which are influenced by catalyst active center multiplicity. © 2013 Taiwan Institute of Chemical Engineers.

  3. National energy ombudsman. 2012 activity report

    International Nuclear Information System (INIS)

    Merville, Denis; Lechevin, Bruno; Mialot, Stephane; Lefeuvre, Katia

    2013-06-01

    The National Energy Ombudsman is an independent administrative authority that was created by the law of 7 December 2006 relating to the energy sector, in preparation for the imminent liberalisation of the French gas and electricity markets. It has two legal roles: participating in the process of informing consumers about their rights, and recommending solutions for settling disputes. The Ombudsman reports directly to the French Parliament. This 2012 edition of the National energy ombudsman's activity report has adopted a somewhat original, but very informative, format: an abc which allows us to take a look back at the highlights of 2012 and to summarise the great energy challenges that the National Energy Ombudsman has worked on since 2007: Achievements, Activity, Amicable agreement, Billing decree, Consultation, Disconnections, Energy voucher, National debate on energy transition, help to consumers, lowering gas prices, best management of public resources, communicating gas meter project, Peak hours and off-peak hours, Unpaid bills, Commercially sensitive information, Disputes, Mediation, development of the European Network of Independent Energy Ombudsmen, Combat against energy poverty, Consumer protection, Back billing time limit, Supply quality, Complaint, Recommendations, Debt distress, rise in prices etc

  4. Crystal structure of a photobiologically active furanocoumarin from Artemisia reticulata

    Directory of Open Access Journals (Sweden)

    A. K. Bauri

    2016-04-01

    Full Text Available The title furanocoumarin, C14H12O4 [systematic name: 9-hydroxy-2-(prop-1-en-2-yl-2,3-dihydro-7H-furo[3,2-g]chromen-7-one], crystallizes with two independent molecules (A and B in the asymmetric unit. The two molecules differ essentially in the orientation of the propenyl group with respect to the mean plane of the furanocoumarin moiety; the O—C(H—C=C torsion angle is 122.2 (7° in molecule A and −10.8 (11° in molecule B. In the crystal, the A and B molecules are linked via O—H...O hydrogen bonds, forming zigzag –A–B–A–B– chains propagating along [001]. The chains are reinforced by bifurcated C—H...(O,O hydrogen bonds, forming ribbons which are linked via C—H...π and π–π interactions [intercentroid distance = 3.602 (2 Å], forming a three-dimensional structure.

  5. Compensatory mechanisms activated with intermittent energy restriction

    DEFF Research Database (Denmark)

    Coutinho, Sílvia Ribeiro; Halset, Eline Holli; Gåsbakk, Sigrid

    2018-01-01

    Background & aims: Strong compensatory responses, with reduced resting metabolic rate (RMR), increased exercise efficiency (ExEff) and appetite, are activated when weight loss (WL) is achieved with continuous energy restriction (CER), which try to restore energy balance. Intermittent energy...... restriction (IER), where short spells of energy restriction are interspaced by periods of habitual energy intake, may offer some protection in minimizing those responses. We aimed to compare the effect of IER versus CER on body composition and the compensatory responses induced by WL. Methods: 35 adults (age......: 39 ± 9 y) with obesity (BMI: 36 ± 4 kg/m2) were randomized to lose a similar weight with an IER (N = 18) or a CER (N = 17) diet over a 12 week period. Macronutrient composition and overall energy restriction (33% reduction) were similar between groups. Body weight/composition, RMR, fasting...

  6. Cytostatic versus Cytocidal Activities of Chloroquine Analogues and Inhibition of Hemozoin Crystal Growth

    OpenAIRE

    Gorka, Alexander P.; Alumasa, John N.; Sherlach, Katy S.; Jacobs, Lauren M.; Nickley, Katherine B.; Brower, Jonathan P.; de Dios, Angel C.; Roepe, Paul D.

    2013-01-01

    We report an improved, nonhazardous, high-throughput assay for in vitro quantification of antimalarial drug inhibition of β-hematin (hemozoin) crystallization performed under conditions that are more physiological relative to previous assays. The assay uses the differential detergent solubility of crystalline and noncrystalline forms of heme and is optimized via the use of lipid catalyst. Using this assay, we quantify the effect of pH on the crystal growth-inhibitory activities of current qui...

  7. Gradient-index phononic crystal lens-based enhancement of elastic wave energy harvesting

    Science.gov (United States)

    Tol, S.; Degertekin, F. L.; Erturk, A.

    2016-08-01

    We explore the enhancement of structure-borne elastic wave energy harvesting, both numerically and experimentally, by exploiting a Gradient-Index Phononic Crystal Lens (GRIN-PCL) structure. The proposed GRIN-PCL is formed by an array of blind holes with different diameters on an aluminum plate, where the blind hole distribution is tailored to obtain a hyperbolic secant gradient profile of refractive index guided by finite-element simulations of the lowest asymmetric mode Lamb wave band diagrams. Under plane wave excitation from a line source, experimentally measured wave field validates the numerical simulation of wave focusing within the GRIN-PCL domain. A piezoelectric energy harvester disk located at the first focus of the GRIN-PCL yields an order of magnitude larger power output as compared to the baseline case of energy harvesting without the GRIN-PCL on the uniform plate counterpart.

  8. Channeling implantation of high energy carbon ions in a diamond crystal: Determination of the induced crystal amorphization

    Science.gov (United States)

    Erich, M.; Kokkoris, M.; Fazinić, S.; Petrović, S.

    2018-02-01

    This work reports on the induced diamond crystal amorphization by 4 MeV carbon ions implanted in the 〈1 0 0〉 oriented crystal and its determination by application of RBS/C and EBS/C techniques. The spectra from the implanted samples were recorded for 1.2, 1.5, 1.75 and 1.9 MeV protons. For the two latter ones the strong resonance of the nuclear elastic scattering 12C(p,p0)12C at 1.737 MeV was explored. The backscattering channeling spectra were successfully fitted and the ion beam induced crystal amorphization depth profile was determined using a phenomenological approach, which is based on the properly defined Gompertz type dechanneling functions for protons in the 〈1 0 0〉 diamond crystal channels and the introduction of the concept of ion beam amorphization, which is implemented through our newly developed computer code CSIM.

  9. Advances in Thermionic Energy Conversion through Single-Crystal n-Type Diamond

    Directory of Open Access Journals (Sweden)

    Franz A. M. Koeck

    2017-12-01

    Full Text Available Thermionic energy conversion, a process that allows direct transformation of thermal to electrical energy, presents a means of efficient electrical power generation as the hot and cold side of the corresponding heat engine are separated by a vacuum gap. Conversion efficiencies approaching those of the Carnot cycle are possible if material parameters of the active elements at the converter, i.e., electron emitter or cathode and collector or anode, are optimized for operation in the desired temperature range. These parameters can be defined through the law of Richardson–Dushman that quantifies the ability of a material to release an electron current at a certain temperature as a function of the emission barrier or work function and the emission or Richardson constant. Engineering materials to defined parameter values presents the key challenge in constructing practical thermionic converters. The elevated temperature regime of operation presents a constraint that eliminates most semiconductors and identifies diamond, a wide band-gap semiconductor, as a suitable thermionic material through its unique material properties. For its surface, a configuration can be established, the negative electron affinity, that shifts the vacuum level below the conduction band minimum eliminating the surface barrier for electron emission. In addition, its ability to accept impurities as donor states allows materials engineering to control the work function and the emission constant. Single-crystal diamond electrodes with nitrogen levels at 1.7 eV and phosphorus levels at 0.6 eV were prepared by plasma-enhanced chemical vapor deposition where the work function was controlled from 2.88 to 0.67 eV, one of the lowest thermionic work functions reported. This work function range was achieved through control of the doping concentration where a relation to the amount of band bending emerged. Upward band bending that contributed to the work function was attributed to

  10. Active liquid-crystal deflector and lens with Fresnel structure

    Science.gov (United States)

    Shibuya, Giichi; Yamano, Shohei; Yoshida, Hiroyuki; Ozaki, Masanori

    2017-02-01

    A new type of tunable Fresnel deflector and lens composed of liquid crystal was developed. Combined structure of multiple interdigitated electrodes and the high-resistivity (HR) layer implements the saw-tooth distribution of electrical potential with only the planar surfaces of the transparent substrates. According to the numerical calculation and design, experimental devices were manufactured with the liquid crystal (LC) material sealed into the sandwiched flat glass plates of 0.7 mm thickness with rubbed alignment layers set to an anti-parallel configuration. Fabricated beam deflector with no moving parts shows the maximum tilt angle of +/-1.3 deg which can apply for optical image stabilizer (OIS) of micro camera. We also discussed and verified their lens characteristics to be extended more advanced applications. Transparent interdigitated electrodes were concentrically aligned on the lens aperture with the insulator gaps under their boundary area. The diameter of the lens aperture was 30 mm and the total number of Fresnel zone was 100. Phase retardation of the beam wavefront irradiated from the LC lens device can be evaluated by polarizing microscope images with a monochromatic filter. Radial positions of each observed fringe are plotted and fitted with 2nd degree polynomial approximation. The number of appeared fringes is over 600 in whole lens aperture area and the correlation coefficients of all approximations are over 0.993 that seems enough ideal optical wavefront. The obtained maximum lens powers from the approximations are about +/-4 m-1 which was satisfied both convex and concave lens characteristics; and their practical use for the tunable lens grade eyeglasses became more prospective.

  11. Influence of copper single crystal structures on the reflection of low energy hydrogen and helium ions

    International Nuclear Information System (INIS)

    Feijen, H.H.W.

    1975-01-01

    A theoretical basis for the 'wedge-focussing' phenomenon is outlined. Investigations have been made to check up to what extent proton reflection can be simulated by using H 2 + or H 3 + as incident ions and analysing the reflected protons. The results of an experimental study of the influence of surface semi-channels on the reflection of low energy ( + , H 2 + and He + ions from copper single crystals with attention to the wedge-focussing effect are presented (G.T.H.)

  12. On the topography of sputtered or chemically etched crystals: surface energies minimised

    International Nuclear Information System (INIS)

    Chadderton, L.T.; Cope, J.O.

    1984-01-01

    The sputtering of single or polycrystalline metal surfaces by heavy ions gives rise to the characteristic topographical features of etch pits, ripples, and cones (pyramids). For cones and pyramids, in particular, no completely satisfactory explanation exists as to the origin of the basic geometry. Scanning electron micrographs are shown. It is proposed that for topographical features of both chemical etch and ion beam origin on single crystal surfaces, the presence of facets on cones and pyramids in particular, is due to the minimization of surface energy. (U.K.)

  13. Microcrystalline silicon growth by low laser energy crystallization on a plastic substrate

    International Nuclear Information System (INIS)

    Kim, D. Y.; Seo, C. K.; Shim, M. S.; Kim, C. H.; Yi, J.

    2004-01-01

    We are reporting the crystallization of amorphous silicon (a-Si) using a XeCl excimer laser treatment. Although polycarbonate (PC) plastic substrates are very weak at high temperatures of more than 150 .deg. C, they are very useful for applications to microelectronics because of light weight, high transmittance, and flexibility. In order to crystallize a-Si films on plastic substrates, we suggest that a CeO 2 seed layer will be very helpful at a low laser energy density. The seed layer is deposited at room temperature by rf using magnetron sputtering. A seed layer deposition method will be also presented in detail in this article. We compare a-Si crytallization without a seed layer with one with a seed layer deposited between the a-Si and the plastic substrate. The a-Si was deposited on the plastic substrate by using inductively coupled plasma Chemical-Vapor Deposition (ICPCVD) at the room temperature. In this paper, we will present the crystallization properties of a-Si with and without a CeO 2 seed layer on the plastic substrate.

  14. Thermal annealing and recoil reactions of 128I atoms in thermal neutron activated iodate-nitrate mixed crystals

    International Nuclear Information System (INIS)

    Mishra, S.P.; Sharma, R.B.

    1983-01-01

    Recoil reaction of 128 I atoms in neutron irradiated mixed crystals (iodate-nitrate) have been studied by thermal annealing methods. The retention of 128 I (i.e. radioactivity of 128 I retained in the parent chemi cal form) decreases sharply in the beginning and then attains saturation value with the increase in concentration of nitrate. The annealing followed the usual characteristic pattern, viz., a steep rise in retention within the first few minutes and then a saturation value thereafter but these saturation values in case of mixed crystals are lower in comparison to those of pure iodate targets. The process obeys simple first order kinetics and the activation energy obtained are of lower order than those obtained in case of pure targets. The results are discussed in the light of present ideas and the role of nitrate ion and its radiolytic products have also been invoked. (author)

  15. Third harmonic frequency generation by type-I critically phase-matched LiB3O5 crystal by means of optically active quartz crystal.

    Science.gov (United States)

    Gapontsev, Valentin P; Tyrtyshnyy, Valentin A; Vershinin, Oleg I; Davydov, Boris L; Oulianov, Dmitri A

    2013-02-11

    We present a method of third harmonic generation at 355 nm by frequency mixing of fundamental and second harmonic radiation of an ytterbium nanosecond pulsed all-fiber laser in a type-I phase-matched LiB(3)O(5) (LBO) crystal where originally orthogonal polarization planes of the fundamental and second harmonic beams are aligned by an optically active quartz crystal. 8 W of ultraviolet light at 355 nm were achieved with 40% conversion efficiency from 1064 nm radiation. The conversion efficiency obtained in a type-I phase-matched LBO THG crystal was 1.6 times higher than the one achieved in a type-II LBO crystal at similar experimental conditions. In comparison to half-wave plates traditionally used for polarization alignment the optically active quartz crystal has much lower temperature dependence and requires simpler optical alignment.

  16. PHOTOCATALYTIC ACTIVITIES of Ag+ DOPED ZIF-8 and ZIF-L CRYSTALS

    Directory of Open Access Journals (Sweden)

    Berna Topuz

    2016-09-01

    Full Text Available Photocatalysis is expected to contribute to the solution of environmental problems such as water and air pollution in the near future. The design of photocatalysts with high electron-hole generation rates, high surface areas and high light absorption capacities is crucial in producing sustainable and cost-effective photocatalytic processes. Titania, zirconia, copper oxide, zinc oxide, iron oxide are widely used photocatalysts which have good light absorption capacities with moderate surface areas depending on the synthesis conditions. In the last decade metal organic frameworks (MOFs have been used in photocatalytic applications due to their very high surface areas up to 1000s of m2/g and adequate light absorption capacities. In this study zeolitic imidazolate framework (ZIF based MOF photocatalytsts were prepared and the effect of silver (Ag doping on the photocatalytic activity of ZIF-8 and ZIF-L crystals was investigated. Ag doped ZIF-8 and ZIF-L crystals were prepared and their activities in the photocatalytic removal of methylene blue (MB dye under UV irradiation were determined for the first time in the literature. Doped ZIF-8 and ZIF-L crystals showed better photocatalytic activities compared to the undoped crystals. 100% of MB was removed with 5 mole% Ag+ doped ZIF-8 in 40 min. The photocatalytic activity decreased beyond 5% doping level since Ag+ ions may have segregated due to a possible solid state solubility limit of Ag+ ions in the crystal lattice of ZIF-8. ZIF-L crystals possessed lower photocatalytic activities compared to ZIF-8 crystals.

  17. Analysis of active piezoelectric energy harvester

    Directory of Open Access Journals (Sweden)

    Yiliang CUI

    2018-02-01

    Full Text Available Most of the existing piezoelectric traps are designed for a narrow frequency range of vibration, but the surrounding environment has a very wide frequency range, and the frequency may also be subject to change, causing the problem of difficult to achieve energy capture or capture inefficiency. In order to solve problem, a new T-type piezoelectric cantilever is proposed as a capture energy structure in the paper. To begin with the aspects of structural design and circuit design, the static analysis, modal analysis and resonance analysis of the structure are carried out and the natural frequency and excitation frequency of the device are analyzed. The design and calculation of the power consumption and the loss of the components of the circuit are analyzed by the simulation and verification of the active capture energy circuit, and the active and passive techniques are compared and analyzed, the simulation of the active capture circuit is verified by analyzing the power consumption of the circuit and the maximum power obtained by the active technology is 5 times of that of the passive technology. And then the voltage-controlled active boundary control method can be used for interface circuit design, taking the initiative to use each piezoelectric transduction cycle triggered by the electrical boundary conditions to effectively increase the input piezoelectric pump energy, and then increase output power. The way of utilizing the active trapping of piezoelectric materials is innovated, which has a positive effect on the development of piezoelectric traps.

  18. Renewable energy activities in Senegal: a review

    International Nuclear Information System (INIS)

    Youm, I.; Sarr, J.; Kane, M.M.; Sall, M.

    2000-01-01

    Like many countries in Africa, Senegal is facing economical decline, energy crisis and serious desertification problem in rural areas. These issues could be removed if renewable energy is used as a primary source of energy in rural areas. What is required is a strategy to implement renewable energy technologies at large scale. The government and many non-governmental organisations (NGOs) have tried to comprehend and have strived to address the problem of energy. This paper present a review of activities in the field of renewable energy applications in Senegal, which goes back to the mid 1970s and will discuss the socio-economic benefits that the country has derived from these environmentally sound and appropriate sources of energy. The development and trial of systems were mostly funded so far by donor agencies in collaboration with government and NGOs. Among the applications being supported are solar lighting, water pumping and small power plants. Recent efforts have been aimed at restructuring the programmes and giving them a market orientation. Future trends, some suggestion and recommendations for successful dissemination of renewable energy sources are also drawn. The present situation is seen to be much more promising and favourable for renewable energy. (Author)

  19. Dual energy radiography using active detector technology

    International Nuclear Information System (INIS)

    Seibert, J.A.; Poage, T.F.; Alvarez, R.E.

    1996-01-01

    A new technology has been implemented using an open-quotes active-detectorclose quotes comprised of two computed radiography (CR) imaging plates in a sandwich geometry for dual-energy radiography. This detector allows excellent energy separation, short exposure time, and high signal to noise ratio (SNR) for clinically robust open-quotes bone-onlyclose quotes and open-quotes soft-tissue onlyclose quotes images with minimum patient motion. Energy separation is achieved by two separate exposures at widely different kVp's: the high energy (120 kVp + 1.5 mm Cu filter) exposure is initiated first, followed by a short burst of intense light to erase the latent image on the front plate, and then a 50 kVp (low energy) exposure. A personal computer interfaced to the x-ray generator, filter wheel, and active detector system orchestrates the acquisition sequence within a time period of 150 msec. The front and back plates are processed using a CR readout algorithm with fixed speed and wide dynamic range. open-quotes Bone-onlyclose quotes and open-quotes soft-tissue onlyclose quotes images are calculated by geometric alignment of the two images and application of dual energy decomposition algorithms on a pixel by pixel basis. Resultant images of a calibration phantom demonstrate an increase of SNR 2 / dose by ∼73 times when compared to a single exposure open-quotes passive-detectorclose quotes comprised of CR imaging plates, and an ∼8 fold increase compared to a screen-film dual-energy cassette comprised of different phosphor compounds. In conclusion, dual energy imaging with open-quotes active detectorclose quotes technology is clinically feasible and can provide substantial improvements over conventional methods for dual-energy radiography

  20. Commission of energy regulation. 2004 activity report

    International Nuclear Information System (INIS)

    2004-01-01

    The commission of energy regulation (CRE) is an independent administrative authority in charge of the control of the operation of gas and electricity markets. This document is the fifth activity report of CRE and covers the July 1, 2003 - June 30, 2004 period, which corresponds to the era of opening of energy markets as a consequence of the enforcement of the June 26, 2003 European directive. In the framework of the stakes made by energy markets liberalization, this document presents the situation of the gas and electricity markets during this period (European framework, regulation of both markets, public utility mission..) and describes CRE's means for the monitoring of these markets. (J.S.)

  1. Surface structures of normal paraffins and cyclohexane monolayers and thin crystals grown on the (111) crystal face of platinum. A low-energy electron diffraction study

    International Nuclear Information System (INIS)

    Firment, L.E.; Somorjai, G.A.

    1977-01-01

    The surfaces of the normal paraffins (C 3 --C 8 ) and cyclohexane have been studied using low-energy electron diffraction (LEED). The samples were prepared by vapor deposition on the (111) face of a platinum single crystal in ultrahigh vacuum, and were studied both as thick films and as adsorbed monolayers. These molecules form ordered monolayers on the clean metal surface in the temperature range 100--220 K and at a vapor flux corresponding to 10 -7 Torr. In the adsorbed monolayers of the normal paraffins (C 4 --C 8 ), the molecules lie with their chain axes parallel to the Pt surface and Pt[110]. The paraffin monolayer structures undergo order--disorder transitions as a function of temperature. Multilayers condensed upon the ordered monolayers maintained the same orientation and packing as found in the monolayers. The surface structures of the growing organic crystals do not corresond to planes in their reported bulk crystal structures and are evidence for epitaxial growth of pseudomorphic crystal forms. Multilayers of n-octane and n-heptane condensed upon disordered monolayers have also grown with the (001) plane of the triclinic bulk crystal structures parallel to the surface. n-Butane has three monolayer structures on Pt(111) and one of the three is maintained during growth of the crystal. Cyclohexane forms an ordered monolayer, upon which a multilayer of cyclohexane grows exhibiting the (001) surface orientation of the monoclinic bulk crystal structure. Surface structures of saturated hydrocarbons are found to be very susceptible to electron beam induced damage. Surface charging interferes with LEED only at sample thicknesses greater than 200 A

  2. X-ray yields from high-energy heavy ions channeled through a crystal: their crystal thickness and projectile dependences

    International Nuclear Information System (INIS)

    Kondo, C.; Takabayashi, Y.; Muranaka, T.; Masugi, S.; Azuma, T.; Komaki, K.; Hatakeyama, A.; Yamazaki, Y.; Takada, E.; Murakami, T.

    2005-01-01

    X-rays emitted from Ar 17+ , Fe 24+ and Kr 35+ ions of about 400 MeV/u transmitting through a thin Si crystal of about 20 μm thickness have been measured in a planar channeling condition and compared with those in a random incident condition. We have found that the X-ray yield from Ar 17+ ions is larger for the channeling condition than for the random incidence, while those from Fe 24+ and Kr 35+ ions are rather smaller. Such tendencies are explained by considering the projectile dependences of excitation and ionization probabilities together with X-ray emission rates. A crude simulation has qualitatively reproduced these experimental results. When the crystal thickness is small, the X-ray yield is smaller in the channeling condition than in the random incident condition, because excitation is depressed. However, for thicker crystals, the X-ray yield is larger, since the survived population of projectile-bound electrons is larger due to small ionization probabilities under the channeling condition. This inversion occurs at a specific crystal thickness depending on projectile species. Whether the thickness of the used crystal is smaller or larger than the inversion thickness determines enhancement or depression of the X-ray yield in the channeling condition

  3. Effect of Hydraulic Activity on Crystallization of Precipitated Calcium Carbonate (PCC) for Eco-Friendly Paper

    Science.gov (United States)

    Kim, Jung-Ah; Han, Gi-Chun; Lim, Mihee; You, Kwang-Suk; Ryu, Miyoung; Ahn, Ji-Whan; Fujita, Toyohisa; Kim, Hwan

    2009-01-01

    Wt% of aragonite, a CaCO3 polymorph, increased with higher hydraulic activity (°C) of limestone in precipitated calcium carbonate (PCC) from the lime-soda process (Ca(OH)2-NaOH-Na2CO3). Only calcite, the most stable polymorph, was crystallized at hydraulic activity under 10 °C, whereas aragonite also started to crystallize over 10 °C. The crystallization of PCC is more dependent on the hydraulic activity of limestone than CaO content, a factor commonly used to classify limestone ores according to quality. The results could be effectively applied to the determination of polymorphs in synthetic PCC for eco-friendly paper manufacture. PMID:20087470

  4. Studies of the surface structures of molecular crystals and of adsorbed molecular monolayers on the (111) crystal faces of platinum and silver by low-energy electron diffraction

    International Nuclear Information System (INIS)

    Firment, L.E.

    1977-01-01

    The structures of molecular crystal surfaces were investigated for the first time by the use of low-energy electron diffraction (LEED). The experimental results from a variety of molecular crystals were examined and compared as a first step towards understanding the properties of these surfaces on a microscopic level. The method of sample preparation employed, vapor deposition onto metal single-crystal substrates at low temperatures in ultrahigh vacuum, allowed concurrent study of the structures of adsorbed monolayers on metal surfaces and of the growth processes of molecular films on metal substrates. The systems investigated were ice, ammonia, naphthalene, benzene, the n-paraffins (C 3 to C 8 ), cyclohexane, trioxane, acetic acid, propionic acid, methanol, and methylamine adsorbed and condensed on both Pt(111) and Ag(111) surfaces. Electron-beam-induced damage of the molecular surfaces was observed after electron exposures of 10 -4 A sec cm -2 at 20 eV. Aromatic molecular crystal samples were more resistant to damage than samples of saturated molecules. The quality and orientation of the grown molecular crystal films were influenced by substrate preparation and growth conditions. Forty ordered monolayer structures were observed. 110 figures, 22 tables, 162 references

  5. Comparison of PZN-PT, PMN-PT single crystals and PZT ceramic for vibration energy harvesting

    International Nuclear Information System (INIS)

    Yang, Zhengbao; Zu, Jean

    2016-01-01

    Highlights: • Systematic analysis of PMN-PT and PZN-PT single crystals for energy harvesters. • Performance analysis and comparison under various conditions. • Discussion of the effect of the SSHI technique on single crystal energy harvesters. • Efficiency analysis in both on-resonance and off-resonance conditions. - Abstract: Vibration energy harvesting has a great potential to achieve self-powered operations for wireless sensors, wearable devices and medical electronics, and thus has attracted much attention in academia and industry. The majority of research into this subject has focused on the piezoelectric effect of synthetic materials, especially the perovskite PZT ceramics. Recently the new-generation piezoelectric materials PMN-PT and PZN-PT single crystals have gained significant interest because of their outstanding piezoelectric properties. They can be used to replace the widely-adopted PZT ceramics for improving energy harvesters’ performance substantially. However, there is little research on comparing PMN-PT and PZN-PT energy harvesters against PZT harvesters. In this paper, we present a systematic comparison between vibration energy harvesters using the PMN-PT, PZN-PT single crystals and those using the PZT ceramics. Key properties of the three materials are summarized and compared. The performance of the PMN-PT and PZN-PT energy harvesters is characterized under different conditions (beam length, resistance, frequency, excitation strength, and backward coupling effect), and is quantitatively compared with the PZT counterpart. Furthermore, the effect of the synchronized switch harvesting on inductor (SSHI) circuit on the three harvesters is discussed. The experimental results indicate that energy harvesters using the PMN-PT and PZN-PT single crystals can significantly outperform those using the PZT ceramics. This study provides a strong base for future research on high-performance energy harvesters using the new PMN-PT and PZN-PT single

  6. Crystal structure of dibromomethoxyseselin (DBMS, a photobiologically active pyranocoumarin

    Directory of Open Access Journals (Sweden)

    A. K. Bauri

    2017-05-01

    Full Text Available The title compound, C15H14Br2O4 [systematic name: rac-(9S,10R-3,9-dibromo-10-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2(8H-one], is a pyranocoumarin derivative formed by the bromination of seselin, which is a naturally occurring angular pyranocoumarin isolated from the Indian herb Trachyspermum stictocarpum. In the molecule, the benzopyran ring system is essentially planar, with a maximum deviation of 0.044 (2 Å for the O atom. The dihydropyran ring is in a half-chair conformation and the four essentially planar atoms of this ring form a dihedral angle of 4.6 (2° with the benzopyran ring system. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains propagating along [010]. In addition, π–π stacking interactions, with centroid–centroid distances of 3.902 (2 and 3.908 (2 Å, link the hydrogen-bonded chains into layers parallel to (001.

  7. Charge exchange processes of high energy heavy ions channeled in crystals

    International Nuclear Information System (INIS)

    Andriamonje, S.; Dural, J.; Toulemonde, M.; Groeneveld, K.O.; Maier, R.; Quere, Y.

    1990-01-01

    The interaction of moving ions with single crystals is very sensitive to the orientation of the incident beam with respect to the crystalline directions of the target. The experiments show that high energy heavy ion channeling deeply modifies the slowing down and charge exchange processes. In this review, we describe the opportunity offered by channeling conditions to study the charge exchange processes. Some aspects of the charge exchange processes with high energy channeled heavy ions are selected from the extensive literature published over the past few years on this subject. Special attention is given to the work performed at the GANIL facility on the study of Radiative Electron Capture (REG), Electron Impact Ionisation (EII), and convoy electron emission. Finally we emphasize the interest of studying resonant charge exchange processes such as Resonant Coherent Excitation (RCE), Resonant Transfer and Excitation (RTE) or Dielectronic Recombination (DR) and the recently proposed Nuclear Excitation by Electron Capture (NEEC)

  8. Magnetic field dependence of vortex activation energy

    Indian Academy of Sciences (India)

    ... the resistance as a function of temperature and magnetic field in clean polycrystalline samples of NbSe2, MgB2 and Bi2Sr2Ca2Cu3O10 (BSCCO) superconductors. Thermally activated flux flow behaviour is seen in all the three systems and clearly identified in bulk MgB2. While the activation energy at low fields for MgB2 ...

  9. Luminescence and energy transfer mechanisms in CaWO{sub 4} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Spassky, D., E-mail: deris2002@mail.ru [Skobeltsyn Institute of Nuclear Physics, M.V. Lomonosov Moscow State University, Vorob' evy Gory, 119991 Moscow (Russian Federation); Mikhailin, V. [Skobeltsyn Institute of Nuclear Physics, M.V. Lomonosov Moscow State University, Vorob' evy Gory, 119991 Moscow (Russian Federation); Nazarov, M. [School of Materials and Mineral Resources Engineering, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia); Institute of Applied Physics, Academiei Street 5, Chisinau MD-2028 (Moldova, Republic of); Ahmad-Fauzi, M.N. [School of Materials and Mineral Resources Engineering, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia); Zhbanov, A. [Department of Medical System Engineering, Gwangju Institute of Science and Technology, 1 Oryong-dong, Buk-gu, Gwangju 500-712 (Korea, Republic of)

    2012-10-15

    The processes of the excitation energy transfer to the emission centers have been investigated for calcium tungstate crystals taking into account features of the electronic structure of valence band and conduction band. The calculations of the electronic structure of host lattice CaWO{sub 4} were performed in the framework of density functional theory. The underestimation of the bandgap value in the calculations has been corrected according to the experimental data. Luminescence of two samples grown using Czochralski (cz) and hydrothermal (ht) techniques were studied. Intrinsic emission band related to excitons, self-trapped on WO{sub 4} complexes has been observed for the both samples while the additional low-energy emission band related to the defects of crystal structure has been observed only for (ht) sample indicating the enhanced concentration of the defects in the sample. It was shown that the features of the conduction band electronic structure are reproduced in the excitation spectrum of intrinsic luminescence only for the (ht) sample while for (cz) sample the correlation is absent. The enhanced role of the competitive channels in the process of excitation energy transfer to intrinsic emission centers in (ht) sample is responsible for the observed difference. - Highlights: Black-Right-Pointing-Pointer The band structure of CaWO{sub 4} was calculated in the framework of DFT LAPW method. Black-Right-Pointing-Pointer Calculation results were validated via joint analysis with experimental data. Black-Right-Pointing-Pointer The bandgap E{sub g} of CaWO{sub 4} was determined as 4.90{+-}0.15 eV. Black-Right-Pointing-Pointer The correlation between the band structure and excitation spectrum is demonstrated. Black-Right-Pointing-Pointer Influence of competitive relaxation channel on energy transfer to STE is shown.

  10. Modeling of gain saturation effects in active semiconductor photonic crystal waveguides

    DEFF Research Database (Denmark)

    Chen, Yaohui; Mørk, Jesper

    2012-01-01

    In this paper, we present a theoretical analysis of slow-light enhanced light amplification in an active semiconductor photonic crystal line defect waveguide. The impact of enhanced light-matter interactions on carrier-depletion-induced modal gain saturation is investigated.......In this paper, we present a theoretical analysis of slow-light enhanced light amplification in an active semiconductor photonic crystal line defect waveguide. The impact of enhanced light-matter interactions on carrier-depletion-induced modal gain saturation is investigated....

  11. The accumulation of femtosecond laser radiation energy in crystals of lithium fluoride

    Science.gov (United States)

    Dresvyanskiy, V. P.; Glazunov, D. S.; Alekseev, S. V.; Losev, V. F.; Chadraa, B.; Bukhtsooj, O.; Baasankhuu, N.; Zandan, B.; Martynovich, E. F.

    2015-12-01

    We present the results of studies of energy accumulation during the non-destructive interaction of extremely intense near infrared laser radiation with model wide band gap dielectric crystals of lithium fluoride, when the intensity of pulses is sufficient for effective highly nonlinear absorption of light and for the excitation of the electron subsystem of matter and the energy of pulses is still not sufficient for significant heating, evaporation, laser breakdown or other destruction to occur. We studied the emission of energy in the form of light sum of thermally stimulated luminescence accumulated under conditions of self-focusing and multiple filamentation of femtosecond laser radiation. It was established that it's the F2 and F3+ color centers and supplementary to them centers of interstitial type which accumulate energy under the action of a single femtosecond laser pulses. When irradiated by series of pulses the F3, F3- and F4 centers additionally appear. F2 centers are the main centers of emission in the process of thermally stimulated luminescence of accumulated energy. The interstitial fluoride ions (I-centers) are the kinetic particles. They split off from the X3- centers in the result of thermal decomposition of latter on the I-centers and molecules X20. I-centers recombine with F3+ centers and form F2 centers in excited state. The latter produce the characteristic emission spectrum emitted in the form of thermally stimulated luminescence.

  12. Direction of Nuclear Energy. Activity report 2010

    International Nuclear Information System (INIS)

    2011-11-01

    This report proposes an overview of the research activities performed by the French DEN (Direction de l'Energie Nucleaire, Direction of Nuclear Energy) within the CEA. These activities address the future nuclear industrial systems (4. generation reactors, back-end of the future fuel cycle, basic scientific and technological research), the optimization of the industrial nuclear power (fuel cycle front end, second and third generation reactors, back-end of the present fuel cycle), major tools for the development of nuclear energy (simulation tools, Jules Horowitz reactor, value creation), clean up and dismantling of nuclear facilities (present status, the Passage project in Grenoble, the Aladin project in Fontenay-aux-Roses, projects at Marcoule, flow management of radioactive wastes, materials and disused fuels, transport). Three research centres are presented: Marcoule, Cadarache and Saclay

  13. International Atomic Energy Agency. Highlights of activities

    International Nuclear Information System (INIS)

    Gillen, V.A.

    1991-09-01

    This document provides a brief, well-illustrated summary of the activities of the International Atomic Energy Agency in the months up to September 1991. Especially mentioned are the programmes to enhance the safety of nuclear power, from the study of nuclear reactors to assessing the radiological consequences of reactor accidents, and the areas of non-proliferation and safeguards

  14. International Atomic Energy Agency: Highlights of activities

    International Nuclear Information System (INIS)

    Gillen, A.

    1992-09-01

    This document provides a brief, well-illustrated summary of the activities of the International Atomic Energy Agency in the months up to September 1992. Especially mentioned are the programmes to enhance the safety of nuclear power, from the study of nuclear reactors to assessing the radiological consequences of reactor accidents, and the areas of non-proliferation and safeguards

  15. IFP Energies nouvelles. 2016 Activity Report - Innovating for energy

    International Nuclear Information System (INIS)

    2017-01-01

    IFP Energies Nouvelles is a major research and training player in the fields of energy, transport and the environment. From research to industry, technological innovation is central to all its activities, structured around three strategic priorities: sustainable mobility, new energies and responsible oil and gas. As part of the public-interest mission with which it has been tasked by the public authorities, IFPEN focuses on: - providing solutions to take up the challenges facing society in terms of energy and the climate, promoting the transition towards sustainable mobility and the emergence of a more diversified energy mix; - creating wealth and jobs by supporting French and European economic activity, and the competitiveness of related industrial sectors. An integral part of IFPEN, its graduate engineering school - IFP School - prepares future generations to take up these challenges. IFPEN has proven expertise across the entire value chain, from fundamental research to innovation. It is funded both by a state budget and by its own resources provided by industrial partners. The latter account for over 50% of IFPEN's total budget, a configuration that is quasi unique in France. The aim of IFPEN's R and I programs is to overcome existing scientific and technological challenges in order to develop innovations that can be used by industry. IFPEN's fundamental research program aims to create a bedrock of knowledge essential for the development of innovations. The scientific expertise of IFPEN's researchers is internationally recognized and they are regularly consulted by the public authorities to provide their insight in their specific fields to inform the decision-making process. IFPEN's economic model is based on the transfer to industry of the technologies developed by its researchers. This technology transfer to industry generates jobs and business, fostering the economic development of fields and approaches related to the mobility, energy and eco-industry sectors

  16. IFP Energies Nouvelles. 2014 Activity report - Innovating for energy

    International Nuclear Information System (INIS)

    2015-01-01

    As part of the public-interest mission with which it has been tasked by the public authorities, IFP Energies Nouvelles (IFPEN) focuses on: - providing solutions to take up the challenges facing society in terms of energy and the climate, promoting the emergence of a sustainable energy mix, - creating wealth and jobs by supporting French and European economic activity, and the competitiveness of related industrial sectors. Despite the current economic environment, 2014 was a good year for IFPEN. In the field of renewable energies, major milestones were reached in two significant projects dedicated to the production of second generation biofuels in which IFPEN is very actively involved: processes developed in Futurol TM are already in the pre-marketing phase, while the construction of the two pilot units for the BioTfueL project has just been launched. In the field of ocean energies, IFPEN research has led to the first partnership agreements relating to floating wind turbines anchor technologies and command control systems for wind energy and wave energy conversion. In the transport sector, game-changing concepts are beginning to emerge, such as smart battery charging and a Rankine cycle system for an internal combustion engine transforming combustion heat into energy. In addition, IFPEN have joined forces with innovative SMEs to boost their research in the fields of electric power-trains and power electronics. Finally, IFPEN launched an eco-driving application that has proved extremely popular with the public. Turning now to oil and gas, IFPEN continued to expand its range of basin and reservoir simulation, modeling and characterization software, and it signed several contracts in the field of chemical enhanced recovery solutions with its EOR (Enhanced Oil Recovery) Alliance TM partners. IFPEN also developed new generations of high-performance catalysts and improved the conversion rate of its processes to enable refiners to convert increasingly heavy crudes and

  17. The Magnetic Free Energy in Active Regions

    Science.gov (United States)

    Metcalf, Thomas R.; Mickey, Donald L.; LaBonte, Barry J.

    2001-01-01

    The magnetic field permeating the solar atmosphere governs much of the structure, morphology, brightness, and dynamics observed on the Sun. The magnetic field, especially in active regions, is thought to provide the power for energetic events in the solar corona, such as solar flares and Coronal Mass Ejections (CME) and is believed to energize the hot coronal plasma seen in extreme ultraviolet or X-rays. The question remains what specific aspect of the magnetic flux governs the observed variability. To directly understand the role of the magnetic field in energizing the solar corona, it is necessary to measure the free magnetic energy available in active regions. The grant now expiring has demonstrated a new and valuable technique for observing the magnetic free energy in active regions as a function of time.

  18. Comparison of NMR and crystal structures highlights conformational isomerism in protein active sites

    International Nuclear Information System (INIS)

    Serrano, Pedro; Pedrini, Bill; Geralt, Michael; Jaudzems, Kristaps; Mohanty, Biswaranjan; Horst, Reto; Herrmann, Torsten; Elsliger, Marc-André; Wilson, Ian A.; Wüthrich, Kurt

    2010-01-01

    Tools for systematic comparisons of NMR and crystal structures developed by the JCSG were applied to two proteins with known functions: the T. maritima anti-σ factor antagonist TM1081 and the mouse γ-glutamylamine cyclotransferase A2LD1 (gi:13879369). In an attempt to exploit the complementarity of crystal and NMR data, the combined use of the two structure-determination techniques was explored for the initial steps in the challenge of searching proteins of unknown functions for putative active sites. The JCSG has recently developed a protocol for systematic comparisons of high-quality crystal and NMR structures of proteins. In this paper, the extent to which this approach can provide function-related information on the two functionally annotated proteins TM1081, a Thermotoga maritima anti-σ factor antagonist, and A2LD1 (gi:13879369), a mouse γ-glutamylamine cyclotransferase, is explored. The NMR structures of the two proteins have been determined in solution at 313 and 298 K, respectively, using the current JCSG protocol based on the software package UNIO for extensive automation. The corresponding crystal structures were solved by the JCSG at 100 K and 1.6 Å resolution and at 100 K and 1.9 Å resolution, respectively. The NMR and crystal structures of the two proteins share the same overall molecular architectures. However, the precision of the structure determination along the amino-acid sequence varies over a significantly wider range in the NMR structures than in the crystal structures. Thereby, in each of the two NMR structures about 65% of the residues have displacements below the average and in both proteins the less well ordered residues include large parts of the active sites, in addition to some highly solvent-exposed surface areas. Whereas the latter show increased disorder in the crystal and in solution, the active-site regions display increased displacements only in the NMR structures, where they undergo local conformational exchange on the

  19. Nuclear energy Division - 2011 Activity report

    International Nuclear Information System (INIS)

    2012-01-01

    This document reports the activity of the Nuclear Energy Department (DEN) within the CEA. It evokes its international relationship (participation to international initiatives, cooperation with different countries), describes the scientific activity within the DEN, presents the Advanced Material Program, and the activities undertaken in different fields: future nuclear industrial systems (fourth generation reactors, downstream part of the future fuel cycle, fundamental scientific and technological research), optimization of the present nuclear industrial activity (second and third generation reactors, nuclear security, upstream and downstream part of the present fuel cycle), tools for nuclear development (numerical simulation, Jules Horowitz reactor), cleaning up and nuclear dismantling (dismantling strategy, the Passage project in Grenoble, works in Marcoule, the Aladin project in Fontenay, waste and material flow management, nuclear support installations, transports). It finally addresses the specific activities of the Marcoule, Cadarache and Saclay centres

  20. Interfacial free energy of the NaCl crystal-melt interface from capillary wave fluctuations.

    Science.gov (United States)

    Benet, Jorge; MacDowell, Luis G; Sanz, Eduardo

    2015-04-07

    In this work we study, by means of molecular dynamics simulations, the solid-liquid interface of NaCl under coexistence conditions. By analysing capillary waves, we obtain the stiffness for different orientations of the solid and calculate the interfacial free energy by expanding the dependency of the interfacial free energy with the solid orientation in terms of cubic harmonics. We obtain an average value for the solid-fluid interfacial free energy of 89 ± 6 mN m(-1) that is consistent with previous results based on the measure of nucleation free energy barriers [Valeriani et al., J. Chem. Phys. 122, 194501 (2005)]. We analyse the influence of the simulation setup on interfacial properties and find that facets prepared as an elongated rectangular stripe give the same results as those prepared as squares for all cases but the 111 face. For some crystal orientations, we observe at small wave-vectors a behaviour not consistent with capillary wave theory and show that this behavior does not depend on the simulation setup.

  1. National energy ombudsman - 2010 activity report

    International Nuclear Information System (INIS)

    2010-01-01

    This report first gives an overview of the evolutions noticed on the energy market (natural gas and electric power) from the mediator's point of view for the consumer protection: improvement of transparency, struggle against energy precariousness, improvement of the protection of European consumers. Some figures and a description of a typical week of work are given to illustrate the mediator's activity. Solutions are proposed to improve practices: excess payment, index correction, set prices, first necessity tariff, and bill readability. Some social indicators are given and a financial report is provided

  2. Intermediate Energy Activation File (IEAF-99)

    International Nuclear Information System (INIS)

    Korovin, Yu.; Konobeev, A.; Pereslavtsev, P.; Stankovskij, A.; Fischer, U.; Moellendorff, U. von

    1999-01-01

    Nuclear data library IEAF-99, elaborated to study processes of interactions of intermediate energy neutrons with materials in accelerator driven systems, is described. The library is intended for activation and transmutation studies for materials irradiated by neutrons. IEAF-99 contains evaluated neutron induced reaction cross sections at the energies 0-150 MeV for 665 stable and unstable nuclei from C to Po. Approximately 50,000 excitation functions are included in the library. The IEAF-99 data are written in the ENDF-6 format combining MF = 3,6 MT = 5 data recording. (author)

  3. Invited Article: Multiple-octave spanning high-energy mid-IR supercontinuum generation in bulk quadratic nonlinear crystals

    Directory of Open Access Journals (Sweden)

    Binbin Zhou

    2016-08-01

    Full Text Available Bright and broadband coherent mid-IR radiation is important for exciting and probing molecular vibrations. Using cascaded nonlinearities in conventional quadratic nonlinear crystals like lithium niobate, self-defocusing near-IR solitons have been demonstrated that led to very broadband supercontinuum generation in the visible, near-IR, and short-wavelength mid-IR. Here we conduct an experiment where a mid-IR crystal is pumped in the mid-IR. The crystal is cut for noncritical interaction, so the three-wave mixing of a single mid-IR femtosecond pump source leads to highly phase-mismatched second-harmonic generation. This self-acting cascaded process leads to the formation of a self-defocusing soliton at the mid-IR pump wavelength and after the self-compression point multiple octave-spanning supercontinua are observed. The results were recorded in a commercially available crystal LiInS2 pumped in the 3-4 μm range with 85 fs 50 μJ pulse energy, with the broadest supercontinuum covering 1.6-7.0 μm. We measured up 30 μJ energy in the supercontinuum, and the energy promises to scale favorably with an increased pump energy. Other mid-IR crystals can readily be used as well to cover other pump wavelengths and target other supercontinuum wavelength ranges.

  4. Slow-light enhancement of spontaneous emission in active photonic crystal waveguides

    DEFF Research Database (Denmark)

    Ek, Sara; Chen, Yaohui; Semenova, Elizaveta

    2012-01-01

    Photonic crystal defect waveguides with embedded active layers containing single or multiple quantum wells or quantum dots have been fabricated. Spontaneous emission spectra are enhanced close to the bandedge, consistently with the enhancement of gain by slow light effects. These are promising...... results for future compact devices for terabit/s communication, such as miniaturised semiconductor optical amplifiers and mode-locked lasers....

  5. Studying Impact of Different Precipitating Agents on Crystal Structure, Morphology and Photocatalytic Activity of Bismuth Oxide

    Directory of Open Access Journals (Sweden)

    Yayuk Astuti

    2017-10-01

    How to Cite: Astuti, Y., Arnelli, Pardoyo, Fauziyah, A., Nurhayati, S., Wulansari, A.D., Andianingrum, R., Widiyandari, H., Bhaduri, G.A. (2017. Studying Impact of Different Precipitating Agents on Crystal Structure, Morphology and Photocatalytic Activity of Bismuth Oxide. Bulletin of Chemical Reaction Engineering & Catalysis, 12 (3: 478-484 (doi:10.9767/bcrec.12.3.1144.478-484

  6. Synthesis, characterization, crystal structures, QSAR study and antibacterial activities of organotin bisphosphoramidates

    Czech Academy of Sciences Publication Activity Database

    Gholivand, K.; Valmoozi, A.A.E.; Gholami, A.; Dušek, Michal; Eigner, Václav; Abolghasemi, S.

    2016-01-01

    Roč. 806, Mar (2016), s. 33-44 ISSN 0022-328X R&D Projects: GA ČR GA15-12653S Institutional support: RVO:68378271 Keywords : bisphosphoramidate * organotin compounds * crystal structure * antibacterial activity * QSAR Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.184, year: 2016

  7. Raman active high energy excitations in URu{sub 2}Si{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Buhot, Jonathan [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France); High Field Magnet Laboratory (HFML - EMFL), Institute for Molecules and Materials, Radboud University, Toernooiveld 7, 6525 ED Nijmegen (Netherlands); Gallais, Yann; Cazayous, Maximilien; Sacuto, Alain [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France); Piekarz, Przemysław [Institute of Nuclear Physics, Polish Academy of Sciences, 31-342 Krakòw (Poland); Lapertot, Gérard [Université Grenoble Alpes, INAC-SPSMS, F-38000 Grenoble (France); CEA, INAC-SPSMS, F-38000 Grenoble (France); Aoki, Dai [Université Grenoble Alpes, INAC-SPSMS, F-38000 Grenoble (France); CEA, INAC-SPSMS, F-38000 Grenoble (France); Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Méasson, Marie-Aude, E-mail: marie-aude.measson@univ-paris-diderot.fr [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France)

    2017-02-01

    We have performed Raman scattering measurements on URu{sub 2}Si{sub 2} single crystals on a large energy range up to ∼1300 cm{sup −1} and in all the Raman active symmetries as a function of temperature down to 15 K. A large excitation, active only in the E{sub g} symmetry, is reported. It has been assigned to a crystal electric field excitation on the Uranium site. We discuss how this constrains the crystal electric field scheme of the Uranium ions. Furthermore, three excitations in the A{sub 1g} symmetry are observed. They have been associated to double Raman phonon processes consistently with ab initio calculations of the phonons dispersion.

  8. Tear energy and strain-induced crystallization of natural rubber/styrene-butadiene rubber blend

    International Nuclear Information System (INIS)

    Noguchi, F; Akabori, K; Yamamoto, Y; Kawahara, S; Kawazura, T

    2009-01-01

    Strain-induced crystallization of natural rubber (NR), dispersed in styrene-butadiene rubber (SBR), was investigated in relation to dimensional feature of a dispersoid and crosslink density of NR by measuring tear energy (G) of crosslinked NR/SBR blends. The crosslinked NR/SBR blends in ratios of 1/9 and 3/7 by weight were prepared by mixing masticated NR and SBR with an internal mixer at a rotor speed of 30 rpm, followed by crosslinking with dicumyl peroxide on a hot press at 444 K for 60 min. The G, measured in wide-ranges of temperature and tear rate, was superposed into a master curve with a Williams-Landel-Ferry shift factor. The G of the NR/SBR(3/7) blend abruptly decreased to a level comparable to that of SBR at about melting temperature of NR crystals formed on straining. The temperature, at which the dramatic decrease in the G occurred, was associated with the dimensional feature of the NR dispersoid and the crosslink density.

  9. Radiation damage in urania crystals implanted with low-energy ions

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Tien Hien, E-mail: tien-hien.nguyen@u-psud.fr [Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM – UMR 8609), CNRS-IN2P3-Université Paris-Sud, Bâtiments 104-108, 91405 Orsay Campus (France); Garrido, Frédérico; Debelle, Aurélien; Mylonas, Stamatis [Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM – UMR 8609), CNRS-IN2P3-Université Paris-Sud, Bâtiments 104-108, 91405 Orsay Campus (France); Nowicki, Lech [The Andrzej Soltan Institute for Nuclear Studies, Hoza 69, 00-681 Warsaw (Poland); Thomé, Lionel; Bourçois, Jérôme; Moeyaert, Jérémy [Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM – UMR 8609), CNRS-IN2P3-Université Paris-Sud, Bâtiments 104-108, 91405 Orsay Campus (France)

    2014-05-01

    Implantations with low-energy ions (470-keV Xe and 500-keV La with corresponding ion range Rp ∼ 85 nm and range straggling ΔRp ∼ 40 nm) have been performed to investigate both radiation and chemical effects due to the incorporation of different species in UO{sub 2} (urania) crystals. The presence of defects was monitored in situ after each implantation fluence step by the RBS/C technique. Channelling data were analysed afterwards by Monte-Carlo simulations with a model of defects involving (i) randomly displaced atoms (RDA) and (ii) distorted rows, i.e. bent channels (BC). While increasing the ion fluence, the accumulation of RDA leads to a steep increase of the defect fraction in the range from 4 to 7 dpa regardless of the nature of bombarding ions followed by a saturation plateau over a large dpa range. A clear difference of 6% in the yield of saturation plateaus between irradiation with Xe and La ions was observed. Conversely, the evolutions of the fraction of BC showed a similar regular increase with increasing ion fluence for both ions. Moreover, this increase is shifted to a larger fluence in comparison to the sharp increase step of RDA. This phenomenon indicates a continuous structural modification of UO{sub 2} crystals under irradiation unseen by the measurement of RDA.

  10. Structure and morphology of surface of silicon crystals to be applied for channeling at relativistic energies

    International Nuclear Information System (INIS)

    Vomiero, Alberto; Restello, Silvio; Scian, Carlo; Marchi, Enrico Boscolo; Mea, Gianantonio Della; Guidi, Vincenzo; Milan, Emiliano; Baricordi, Stefano; Martinelli, Giuliano; Carnera, Alberto; Sambo, Andrea

    2006-01-01

    Bent crystals can be successfully applied for extraction/collimation of relativistic particles. A crucial feature to obtain high extraction efficiencies is the treatment of the surfaces being encountered by the beam, since mechanical operations induce considerable lattice imperfections. In order to remove the superficial damaged layer a planar etching can be applied on the surface exposed to the beam. This work presents a systematic study of the morphology and the crystalline perfection of the surface of the samples that have been used in accelerators with high efficiency. Crystals with different surface treatments have been investigated. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) were applied on the characterisation of surface morphology. Low energy backscattering channeling of 2-MeV α particles or protons was used as a probe for the crystalline structure. The presence of a superficial damaged layer in the samples just after mechanical treatment was unveiled, while, in contrast, chemical etching leaves a surface with high crystalline perfection that can be related to the record efficiency

  11. Design of Continuous Crystallizers for Production of Active Pharmaceutical Ingredients

    DEFF Research Database (Denmark)

    Capellades Mendez, Gerard; Christensen, Troels V.

    The production of Active Pharmaceutical Ingredients (APIs) is conducted primarily in batch processes. This manufacturing approach is reinforced by a patent-driven business model and the need to minimize the process development times for newly patented drugs. However, the regulatory and business...... environments are now changing. The increasing costs of drug development, combined with the strict regulations and the competition from generic manufacturers, have pushed pharmaceutical companies to seek cheaper and more sustainable production methods. Transition from batch to Continuous Pharmaceutical...

  12. Process Analytical Technology for Crystallization of Active Pharmaceutical Ingredients

    DEFF Research Database (Denmark)

    Malwade, Chandrakant Ramkrishna; Qu, Haiyan

    2018-01-01

    Background: Pharmaceutical industry is witnessing increased pressure to introduce innovative and efficient processes for manufacturing of Active Pharmaceutical Ingredients (APIs) in order to be competitive as well as to meet the stringent product quality requirements set by regulatory authorities...... parameters and their impact on quality of APIs and subsequently the drug products assume great significance for pharmaceutical industry. Methods: This review paper focuses on application of PAT tools, an integral part of Quality by Design (QbD) approach, for better understanding, control, and design...

  13. X-ray diffraction patterns of single crystals implanted with high-energy light ions

    International Nuclear Information System (INIS)

    Wieteska, K.

    1998-01-01

    X-ray diffraction patterns of silicon and gallium arsenide single crystals implanted with high-energy protons and α-particles were studied. A various models of lattice parameter changes were analysed. The agreement between the simulation and experiment proves that the lattice parameter depth-distribution can be assumed to be proportional to vacancy distribution obtained by Monte-Carlo method and from the Biersack-Ziegler theory. Most of the X-ray experiments were performed using synchrotron source of X-ray radiation in particular in the case of back-reflection and transmission section topographic methods. The new method of direct determination of the implanted ion ranges was proposed using synchrotron radiation back-reflection section topography. A number of new interference phenomena was revealed and explained. These interferences are important in the applications of diffraction theory in studying of the real structure of implanted layers. (author)

  14. Numerical study of influence of different dispersed components of crystal cloud on transmission of radiant energy

    Science.gov (United States)

    Shefer, Olga

    2017-11-01

    The calculated results of the transmission of visible and infrared radiation by an atmosphere layer involving ensembles of large preferentially oriented crystals and spherical particles are presented. To calculate extinction characteristics, the physical optics method and the Mie theory are applied. Among all atmospheric particles, both the small particles that are commensurable with the wavelength of the incident radiation and the large plates and the columns are distinguished by the most pronounced dependence of the transmission on spectra of radiant energy. The work illustrates features of influence of parameters of the particle size distribution, particle aspect ratios, orientation and particle refractive index, also polarization state of the incident radiation on the transmission. The predominant effect of the plates on the wavelength dependence of the transmission is shown. A separated and cooperative contributes of the large plates and the small volume shape particles to the common transmission by medium are considered.

  15. CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

    Directory of Open Access Journals (Sweden)

    Campbell F. Mackenzie

    2017-09-01

    Full Text Available The application domain of accurate and efficient CE-B3LYP and CE-HF model energies for intermolecular interactions in molecular crystals is extended by calibration against density functional results for 1794 molecule/ion pairs extracted from 171 crystal structures. The mean absolute deviation of CE-B3LYP model energies from DFT values is a modest 2.4 kJ mol−1 for pairwise energies that span a range of 3.75 MJ mol−1. The new sets of scale factors determined by fitting to counterpoise-corrected DFT calculations result in minimal changes from previous energy values. Coupled with the use of separate polarizabilities for interactions involving monatomic ions, these model energies can now be applied with confidence to a vast number of molecular crystals. Energy frameworks have been enhanced to represent the destabilizing interactions that are important for molecules with large dipole moments and organic salts. Applications to a variety of molecular crystals are presented in detail to highlight the utility and promise of these tools.

  16. Mechanisms for the reflection of light atoms from crystal surfaces at kilovolt energies

    International Nuclear Information System (INIS)

    Hou, M.; Robinson, M.T.

    1978-01-01

    The computer program MARLOWE was used to investigate the backscattering of protons from the (110) surface of a nickel crystal. Grazing incidence was considered so that anisotropic effects originated mainly from the surface region. The contribution of aligned scattering was studied by comparing the results with similar calculations for an amorphous target. Energy distributions of backscattered particles were investigated for incident energies ranging from 0.1 to 5 keV. The structure of these distributions was explained by making calculations for several target thickness. Specular reflection was found to depend on the structure of the first few atomic planes only. The (110) rows in the surface plane were responsible for focusing into surface semichannels. Focusing in these semichannels was found to be the strongest under total reflection conditions (below about 1.3 keV) while the scattering intensity from surface rows increased with increasing incident energy. The orientation of the plane of incidence was found to have large influence on the relative contributions of the reflection mechanisms involved. (orig.) [de

  17. Energy scavenging based on a single-crystal PMN-PT nanobelt

    Science.gov (United States)

    Wu, Fan; Cai, Wei; Yeh, Yao-Wen; Xu, Shiyou; Yao, Nan

    2016-03-01

    Self-powered nanodevices scavenging mechanical energy require piezoelectric nanostructures with high piezoelectric coefficients. Here we report the fabrication of a single-crystal (1 - x)Pb(Mg1/3Nb2/3)O3 - xPbTiO3 (PMN-PT) nanobelt with a superior piezoelectric constant (d33 = ~550 pm/V), which is approximately ~150%, 430%, and 2100% of the largest reported values for previous PMN-PT, PZT and ZnO nanostructures, respectively. The high d33 of the single-crystalline PMN-PT nanobelt results from the precise orientation control during its fabrication. As a demonstration of its application in energy scavenging, a piezoelectric nanogenerator (PNG) is built on the single PMN-PT nanobelt, generating a maximum output voltage of ~1.2 V. This value is ~4 times higher than that of a single-CdTe PNG, ~13 times higher than that of a single-ZnSnO3 PNG, and ~26 times higher than that of a single-ZnO PNG. The profoundly increased output voltage of a lateral PNG built on a single PMN-PT nanobelt demonstrates the potential application of PMN-PT nanostructures in energy harvesting, thus enriching the material choices for PNGs.

  18. Infrared-active optical phonons in LiFePO4 single crystals

    Science.gov (United States)

    Stanislavchuk, T. N.; Middlemiss, D. S.; Syzdek, J. S.; Janssen, Y.; Basistyy, R.; Sirenko, A. A.; Khalifah, P. G.; Grey, C. P.; Kostecki, R.

    2017-07-01

    Infrared-active optical phonons were studied in olivine LiFePO4 oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm-1. The eigenfrequencies, oscillator strengths, and broadenings of the phonon modes were determined from fits of the anisotropic harmonic oscillator model to the data. Optical phonons in a heterosite FePO4 crystal were measured from the delithiated ab-surface of the LiFePO4 crystal and compared with the phonon modes of the latter. Good agreement was found between experimental data and the results of solid-state hybrid density functional theory calculations for the phonon modes in both LiFePO4 and FePO4.

  19. Geochemistry of single diamond crystals by instrumental neutron activation analysis

    International Nuclear Information System (INIS)

    Damarupurshad, A.

    1995-02-01

    Neutron activation analysis is probably the most powerful technique, available to date, for the analysis of the trace elements in diamond. In this study the technique of neutron activation analysis has been modified and optimized for the analysis of single, small (0.01-0.5 carat), inclusion-bearing and inclusion-free diamonds. Instrumental neutron activation analysis was used to analyze for up to 40 different elements at the ppb and ppt levels in diamonds from Brazil, South Africa, Colorado and China. The data obtained was used to detect and understand the differences between diamonds from the eclogitic and peridotitic para geneses and between diamonds from the different localities. In this regard, two inter element ratios, i.e. Cr/Sc and Au/Ir ratios were found to be useful. It seems that diamonds from a particular locality or mine have a unique range of Cr/Sc ratios. Furthermore, the identity of the dominant silicate inclusion(s) can be deduced from the Cr/Sc ratio of the diamond, since each type of silicate inclusion has a different range of Cr/Sc ratios. Not only is the Cr/Sc ratio distinctive for silicate inclusions in diamonds, it is also distinctive for minerals co genetic with diamond, such as orange garnet, red garnet, chrome diopside and ortho pyroxene (macrocrysts) which were separated from kimberlites. Sulphide inclusions may also contain detectable quantities of Au and Ir and the ratios of these two elements can also be used to differentiate between diamonds of the two para geneses. Carbon isotope ratios of these eclogitic and peridotitic diamonds were also measured. The comparison of this with the Cr/Sc ratios revealed that the carbon isotope ratios of both para geneses overlap in a narrow range and do not show the clear separations seen with Cr/Sc and Au/Ir ratios. It can be suggested, therefore, on the basis of the suite of 61 diamonds analyzed in this study, that the Cr/Sc and Au/Ir ratios are much more useful tools to distinguish between diamonds

  20. Inelastic energy loss in large angle scattering of Ar9+ ions from Au(1 1 1) crystal

    International Nuclear Information System (INIS)

    Pesic, Z.D.; Anton, J.; Bremer, J.H.; Hoffmann, V.; Stolterfoht, N.; Vikor, Gy.; Schuch, R.

    2003-01-01

    The azimuthal angle dependence of the energy loss in large-angle scattering of slow (v∼0.06 a.u.) Ar 9+ ions from a Au(1 1 1) single crystal was investigated. Regarding the kinematics of quasi-single collisions, the smallest energy loss is expected for the azimuthal orientations which correspond to the closest packed atomic row of the crystal. This agrees with the prediction of a trajectory simulation (Marlowe code), but the experimental results don't show such dependence. Thus, we discuss possible inelastic processes as image charge energy gain, electronic energy loss in close collision and the electronic energy loss in the interaction with the electron gas. The observed azimuthal dependence is explained by the change of the electronic stopping power due to the variation of effective electron density sampled by the projectile

  1. Exchange-Hole Dipole Dispersion Model for Accurate Energy Ranking in Molecular Crystal Structure Prediction II: Nonplanar Molecules.

    Science.gov (United States)

    Whittleton, Sarah R; Otero-de-la-Roza, A; Johnson, Erin R

    2017-11-14

    The crystal structure prediction (CSP) of a given compound from its molecular diagram is a fundamental challenge in computational chemistry with implications in relevant technological fields. A key component of CSP is the method to calculate the lattice energy of a crystal, which allows the ranking of candidate structures. This work is the second part of our investigation to assess the potential of the exchange-hole dipole moment (XDM) dispersion model for crystal structure prediction. In this article, we study the relatively large, nonplanar, mostly flexible molecules in the first five blind tests held by the Cambridge Crystallographic Data Centre. Four of the seven experimental structures are predicted as the energy minimum, and thermal effects are demonstrated to have a large impact on the ranking of at least another compound. As in the first part of this series, delocalization error affects the results for a single crystal (compound X), in this case by detrimentally overstabilizing the π-conjugated conformation of the monomer. Overall, B86bPBE-XDM correctly predicts 16 of the 21 compounds in the five blind tests, a result similar to the one obtained using the best CSP method available to date (dispersion-corrected PW91 by Neumann et al.). Perhaps more importantly, the systems for which B86bPBE-XDM fails to predict the experimental structure as the energy minimum are mostly the same as with Neumann's method, which suggests that similar difficulties (absence of vibrational free energy corrections, delocalization error,...) are not limited to B86bPBE-XDM but affect GGA-based DFT-methods in general. Our work confirms B86bPBE-XDM as an excellent option for crystal energy ranking in CSP and offers a guide to identify crystals (organic salts, conjugated flexible systems) where difficulties may appear.

  2. Approaching an experimental electron density model of the biologically active trans -epoxysuccinyl amide group-Substituent effects vs. crystal packing

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Ming W.; Stewart, Scott G.; Sobolev, Alexandre N.; Dittrich, Birger; Schirmeister, Tanja; Luger, Peter; Hesse, Malte; Chen, Yu-Sheng; Spackman, Peter R.; Spackman, Mark A.; Grabowsky, Simon (Heinrich-Heine); (Freie); (UC); (Bremen); (JG-UM); (UWA)

    2017-01-24

    The trans-epoxysuccinyl amide group as a biologically active moiety in cysteine protease inhibitors such as loxistatin acid E64c has been used as a benchmark system for theoretical studies of environmental effects on the electron density of small active ingredients in relation to their biological activity. Here, the synthesis and the electronic properties of the smallest possible active site model compound are reported to close the gap between the unknown experimental electron density of trans-epoxysuccinyl amides and the well-known function of related drugs. Intramolecular substituent effects are separated from intermolecular crystal packing effects on the electron density, which allows us to predict the conditions under which an experimental electron density investigation on trans-epoxysuccinyl amides will be possible. In this context, the special importance of the carboxylic acid function in the model compound for both crystal packing and biological activity is revealed through the novel tool of model energy analysis.

  3. Study of the cosmogenic activation in NaI(Tl) crystals within the ANAIS experiment

    Science.gov (United States)

    Villar, P.; Amaré, J.; Cebrián, S.; Coarasa, I.; García, E.; Martínez, M.; Oliván, M. A.; Ortigoza, Y.; Ortiz de Solórzano, A.; Puimedón, J.; Sarsa, M. L.; Villar, J. A.

    2018-03-01

    The direct detection of galactic dark matter particles requires ultra-low background conditions. NaI(Tl) crystals are applied in the search for these dark matter particles through their interactions in the detector by measuring the scintillation signal produced. The production of long-lived isotopes in materials due to the exposure to cosmic rays on Earth’s surface can be an hazard for these ultra-low background demanding experiments, typically performed underground. Therefore, production rates of cosmogenic isotopes in all the materials present in the experimental set-up, as well as the corresponding cosmic rays exposure history, must be both well-known in order to assess the relevance of this effect in the achievable sensitivity of a given experiment. Here, analysis of the cosmogenic studies developed from the ANAIS experiment NaI(Tl) detectors are presented. Installed inside a convenient shielding at the Canfranc Underground Laboratory just after finishing surface exposure to cosmic rays and thanks to the prompt data taking developed, identification and quantification of isotopes with half-lives of the order of tens of days were allowed, and thanks to the long-term operation of the detectors long-lived isotopes have been also identified and quantified. Main results for the activation yields of iodine and tellurium isotopes, 22Na, 113Sn, 109Cd, and tritium are presented in this work, together with the estimate of the production rates for their activation by cosmic nucleons while on Earth’s surface based on a selection of excitation functions over the entire energy range of cosmic nucleons.

  4. Study of crystal-field excitations and Raman active phonons in o-DyMnO3

    International Nuclear Information System (INIS)

    Jandl, S.; Mansouri, S.; Mukhin, A.A.; Yu Ivanov, V.; Balbashov, A.; Gospodino, M.M.; Nekvasil, V.; Orlita, M.

    2011-01-01

    In DyMnO 3 orthorhombic single crystals, the weak Raman active phonon softening below T=100 K is correlated with the study of infrared active Dy 3+ CF excitations as a function of temperature and under applied magnetic field. We detect five H 13/2 CF transitions that we predict with appropriate CF Hamiltonian and we confirm that the magnetic easy axis lies in the ab plane. While the CF energy level shifts below T=100 K reflect different displacements of the oxygen ions that contribute to the phonon softening, lifting of the ground state Kramers doublet degeneracy (∼30 cm -1 ) is observed below T N =39 K due to the anisotropic Mn 3+ -Dy 3+ interaction, which could be responsible for the stability of the bc-cycloid ferroelectric phase. - Research highlights: → Origin of Raman active phonon softening in the multiferroic o-DyMnO 3 . → A crystal-field study under magnetic field of Dy 3+ in o-DyMnO 3 . → Location of the magnetic easy axis in o-DyMnO 3 . → Lifting of Kramers doublet degeneracy in o-DyMnO 3 .

  5. Crystallization and preliminary crystallographic analysis of latent, active and recombinantly expressed aurone synthase, a polyphenol oxidase, from Coreopsis grandiflora

    Energy Technology Data Exchange (ETDEWEB)

    Molitor, Christian; Mauracher, Stephan Gerhard; Rompel, Annette, E-mail: annette.rompel@univie.ac.at [Universität Wien, Althanstrasse 14, 1090 Wien (Austria)

    2015-05-22

    Latent and active aurone synthase purified from petals of C. grandiflora (cgAUS1) were crystallized. The crystal quality of recombinantly expressed latent cgAUS1 was significantly improved by co-crystallization with the polyoxotungstate Na{sub 6}[TeW{sub 6}O{sub 24}] within the liquid–liquid phase-separation zone. Aurone synthase (AUS), a member of a novel group of plant polyphenol oxidases (PPOs), catalyzes the oxidative conversion of chalcones to aurones. Two active cgAUS1 (41.6 kDa) forms that differed in the level of phosphorylation or sulfation as well as the latent precursor form (58.9 kDa) were purified from the petals of Coreopsis grandiflora. The differing active cgAUS1 forms and the latent cgAUS1 as well as recombinantly expressed latent cgAUS1 were crystallized, resulting in six different crystal forms. The active forms crystallized in space groups P2{sub 1}2{sub 1}2{sub 1} and P12{sub 1}1 and diffracted to ∼1.65 Å resolution. Co-crystallization of active cgAUS1 with 1,4-resorcinol led to crystals belonging to space group P3{sub 1}21. The crystals of latent cgAUS1 belonged to space group P12{sub 1}1 and diffracted to 2.50 Å resolution. Co-crystallization of recombinantly expressed pro-AUS with the hexatungstotellurate(VI) salt Na{sub 6}[TeW{sub 6}O{sub 24}] within the liquid–liquid phase separation zone significantly improved the quality of the crystals compared with crystals obtained without hexatungstotellurate(VI)

  6. MAGNETIC ENERGY SPECTRA IN SOLAR ACTIVE REGIONS

    International Nuclear Information System (INIS)

    Abramenko, Valentyna; Yurchyshyn, Vasyl

    2010-01-01

    Line-of-sight magnetograms for 217 active regions (ARs) with different flare rates observed at the solar disk center from 1997 January until 2006 December are utilized to study the turbulence regime and its relationship to flare productivity. Data from the SOHO/MDI instrument recorded in the high-resolution mode and data from the BBSO magnetograph were used. The turbulence regime was probed via magnetic energy spectra and magnetic dissipation spectra. We found steeper energy spectra for ARs with higher flare productivity. We also report that both the power index, α, of the energy spectrum, E(k) ∼ k -α , and the total spectral energy, W = ∫E(k)dk, are comparably correlated with the flare index, A, of an AR. The correlations are found to be stronger than those found between the flare index and the total unsigned flux. The flare index for an AR can be estimated based on measurements of α and W as A = 10 b (αW) c , with b = -7.92 ± 0.58 and c = 1.85 ± 0.13. We found that the regime of the fully developed turbulence occurs in decaying ARs and in emerging ARs (at the very early stage of emergence). Well-developed ARs display underdeveloped turbulence with strong magnetic dissipation at all scales.

  7. Nanotube liquid crystal elastomers: photomechanical response and flexible energy conversion of layered polymer composites

    International Nuclear Information System (INIS)

    Fan, Xiaoming; King, Benjamin C; Loomis, James; Panchapakesan, Balaji; Campo, Eva M; Hegseth, John; Cohn, Robert W; Terentjev, Eugene

    2014-01-01

    Elastomeric composites based on nanotube liquid crystals (LCs) that preserve the internal orientation of nanotubes could lead to anisotropic physical properties and flexible energy conversion. Using a simple vacuum filtration technique of fabricating nanotube LC films and utilizing a transfer process to poly (dimethyl) siloxane wherein the LC arrangement is preserved, here we demonstrate unique and reversible photomechanical response of this layered composite to excitation by near infra-red (NIR) light at ultra-low nanotube mass fractions. On excitation by NIR photons, with application of small or large pre-strains, significant expansion or contraction of the sample occurs, respectively, that is continuously reversible and three orders of magnitude larger than in pristine polymer. Schlieren textures were noted in these LC composites confirming long range macroscopic nematic order of nanotubes within the composites. Order parameters of LC films ranged from S optical  = 0.51–0.58 from dichroic measurements. Film concentrations, elastic modulus and photomechanical stress were all seen to be related to the nematic order parameter. For the same nanotube concentration, the photomechanical stress was almost three times larger for the self-assembled LC nanotube actuator compared to actuator based on randomly oriented carbon nanotubes. Investigation into the kinetics of photomechanical actuation showed variation in stretching exponent β with pre-strains, concentration and orientation of nanotubes. Maximum photomechanical stress of ∼0.5 MPa W −1 and energy conversion of ∼0.0045% was achieved for these layered composites. The combination of properties, namely, optical anisotropy, reversible mechanical response to NIR excitation and flexible energy conversion all in one system accompanied with low cost makes nanotube LC elastomers important for soft photochromic actuation, energy conversion and photo-origami applications. (paper)

  8. Highly reproducible alkali metal doping system for organic crystals through enhanced diffusion of alkali metal by secondary thermal activation.

    Science.gov (United States)

    Lee, Jinho; Park, Chibeom; Song, Intek; Koo, Jin Young; Yoon, Taekyung; Kim, Jun Sung; Choi, Hee Cheul

    2018-05-16

    In this paper, we report an efficient alkali metal doping system for organic single crystals. Our system employs an enhanced diffusion method for the introduction of alkali metal into organic single crystals by controlling the sample temperature to induce secondary thermal activation. Using this system, we achieved intercalation of potassium into picene single crystals with closed packed crystal structures. Using optical microscopy and Raman spectroscopy, we confirmed that the resulting samples were uniformly doped and became K 2 picene single crystal, while only parts of the crystal are doped and transformed into K 2 picene without secondary thermal activation. Moreover, using a customized electrical measurement system, the insulator-to-semiconductor transition of picene single crystals upon doping was confirmed by in situ electrical conductivity and ex situ temperature-dependent resistivity measurements. X-ray diffraction studies showed that potassium atoms were intercalated between molecular layers of picene, and doped samples did not show any KH- nor KOH-related peaks, indicating that picene molecules are retained without structural decomposition. During recent decades, tremendous efforts have been exerted to develop high-performance organic semiconductors and superconductors, whereas as little attention has been devoted to doped organic crystals. Our method will enable efficient alkali metal doping of organic crystals and will be a resource for future systematic studies on the electrical property changes of these organic crystals upon doping.

  9. Intergovernmental organisation activities: European Atomic Energy Community, International Atomic Energy Agency, OECD Nuclear Energy Agency

    International Nuclear Information System (INIS)

    Anon.

    2012-01-01

    European Atomic Energy Community: Proposed legislative instruments, Adopted legislative instruments, Non-legislative instruments, Other activities (meetings). International Atomic Energy Agency: IAEA Action Plan on Nuclear Safety. OECD Nuclear Energy Agency: The Russian Federation to join the OECD Nuclear Energy Agency; Participation by the regulatory authorities of India and the United Arab Emirates in the Multinational Design Evaluation Programme (MDEP); NEA International Workshop on Crisis Communication, 9-10 May 2012; International School of Nuclear Law: 2013; Next NEA International Nuclear Law Essentials Course

  10. Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)–Tuned Range-Separated Density Functional Approach

    KAUST Repository

    Sun, Haitao

    2016-05-16

    We propose a new methodology for the first-principles description of the electronic properties relevant for charge transport in organic molecular crystals. This methodology, which is based on the combination of a non-empirical, optimally tuned range-separated hybrid functional with the polarizable continuum model, is applied to a series of eight representative molecular semiconductor crystals. We show that it provides ionization energies, electron affinities, and transport gaps in very good agreement with experimental values as well as with the results of many-body perturbation theory within the GW approximation at a fraction of the computational costs. Hence, this approach represents an easily applicable and computationally efficient tool to estimate the gas-to-crystal-phase shifts of the frontier-orbital quasiparticle energies in organic electronic materials.

  11. Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methods

    Science.gov (United States)

    Sancho-García, J. C.; Aragó, J.; Ortí, E.; Olivier, Y.

    2013-05-01

    The non-covalent interactions in organic molecules are known to drive their self-assembly to form molecular crystals. We compare, in the case of anthracene and against experimental (electronic-only) sublimation energy, how modern quantum-chemical methods are able to calculate this cohesive energy taking into account all the interactions between occurring dimers in both first-and second-shells. These include both O(N6)- and O(N5)-scaling methods, Local Pair Natural Orbital-parameterized Coupled-Cluster Single and Double, and Spin-Component-Scaled-Møller-Plesset perturbation theory at second-order, respectively, as well as the most modern family of conceived density functionals: double-hybrid expressions in several variants (B2-PLYP, mPW2-PLYP, PWPB95) with customized dispersion corrections (-D3 and -NL). All-in-all, it is shown that these methods behave very accurately producing errors in the 1-2 kJ/mol range with respect to the experimental value taken into account the experimental uncertainty. These methods are thus confirmed as excellent tools for studying all kinds of interactions in chemical systems.

  12. Characterizing new compositions of [001]C relaxor ferroelectric single crystals using a work-energy model

    Science.gov (United States)

    Gallagher, John A.

    2016-04-01

    The desired operating range of ferroelectric materials with compositions near the morphotropic phase boundary is limited by field induced phase transformations. In [001]C cut and poled relaxor ferroelectric single crystals the mechanically driven ferroelectric rhombohedral to ferroelectric orthorhombic phase transformation is hindered by antagonistic electrical loading. Instability around the phase transformation makes the current experimental technique for characterization of the large field behavior very time consuming. Characterization requires specialized equipment and involves an extensive set of measurements under combined electrical, mechanical, and thermal loads. In this work a mechanism-based model is combined with a more limited set of experiments to obtain the same results. The model utilizes a work-energy criterion that calculates the mechanical work required to induce the transformation and the required electrical work that is removed to reverse the transformation. This is done by defining energy barriers to the transformation. The results of the combined experiment and modeling approach are compared to the fully experimental approach and error is discussed. The model shows excellent predictive capability and is used to substantially reduce the total number of experiments required for characterization. This decreases the time and resources required for characterization of new compositions.

  13. CEA nuclear energy Directorate - Activity report 2012

    International Nuclear Information System (INIS)

    2013-01-01

    After an overview of the activities of the Directorate at the international level, of its scientific activities, and of the consideration given to quality, and a presentation of the transverse program on advanced materials, this report proposes presentations of activities in different domains: future nuclear industrial systems (reactors of 4. generation, back-end of the future cycle, sustainable management of nuclear materials, fundamental scientific and technological research), optimization of the present industrial nuclear activity (reactors of 2. and 3. generation, front-end and back-end of the fuel cycle), the main tools for nuclear development (numerical simulation, the Jules Horowitz reactor), valorisation, economic support of Haute-Marne and Meuse territories (the Syndiese project), nuclear dismantling and decontamination (dismantling projects, projects and works in Fontenay-aux-Roses, Grenoble and Saclay, waste and material flow management, nuclear service facilities, transports). It also presents the activities of some specific CEA centres like Marcoule (R and D in fuel cycle), Cadarache (future energies) and Saclay (nuclear sciences and simulation of reactors and fuel cycle)

  14. Energy National Mediator activity report 2009

    International Nuclear Information System (INIS)

    2009-01-01

    After some data illustrating the activity of the Energy National Mediator in 2009, and an interview of a representative of this institution who comments its practice, this report proposes the opinions of the different involved actors (communities, consumer associations, providers, and so on) about the mediator. It puts the adopted strategy in perspective from the past year to the coming one. It describes the missions: information, advice, protection. It reports actions, recommendations and facts for 2009 in terms of consumer information, group mediation, poverty management, samples of analysed disputes. It presents the social organisation and gives a financial assessment of the institution

  15. Broadband crystal spectrometer for the non-active and active phases of JET

    International Nuclear Information System (INIS)

    Engelhardt, W.; Fink, J.; Fussmann, G.; Krause, H.; Schilling, H.B.; Schumacher, U.

    1982-03-01

    The design study treats the possibilities of quantitatively measuring the Soft X-ray spectrum of JET with a double crystal spectrometer device in parallel mode. This spectrometer type is much suited for broad band soft X-ray spectroscopy, also - due to its folded optical pathway - during D-T operation of JET; the expected detector count rates are far above the background level. Methods to fulfill the important condition of parallel orientation of the two crystals, to shield the device against neutrons and gamma rays, to obtain spectral resolution sufficient for spectral line profile measurements and to upgrade the device for continuous spatial scanning of the JET plasma are presented. (orig.)

  16. Nuclear Energy Division. 2009 Activity report

    International Nuclear Information System (INIS)

    2009-01-01

    After a presentation of the future investment programme of the nuclear energy department at the French national Nuclear Research Center (CEA), this report proposes a description of tomorrow's industrial nuclear systems (back-end of future fuel cycle, fourth generation systems, basic scientific and technological research), describes how current nuclear industrial systems are optimized (front-end and back-end of fuel cycle, second and third generation reactors). It presents the main tools for nuclear development: simulation programme, the Jules Horowitz reactor project, maintenance of specific facilities, research valorisation. It reports the activities related to the clean-up and dismantling in different nuclear sites, presents the activities of CEA's nuclear research centres (Saclay, Cadarache, Marcoule), briefly presents the transverse material programme, recalls some events, and gives some key figures

  17. The influence of ion energy, target temperature, dose rate and crystal order on the shape of bombardment induced pyramids on copper crystals

    International Nuclear Information System (INIS)

    Tanovic, L.; Whitton, J.L.; Kofod, S.

    1978-01-01

    Following recent studies of energetic ion bombardment of copper, which established the conditions necessary for the production of cones/pyramids, investigations have been extended to include the effects of change in ion energy, target temperature and dose rate. In addition, the authors have attempted a detailed analysis of the influence of sample crystal orientation on the final form of pyramids and have investigated the stability of the pyramids as a function of the total dose. These experiments, as in earlier work, have been done using very pure copper, mass-analyzed ion beams and free of any metal contamination from, for example, defining apertures. (Auth.)

  18. Dermal quercetin smartCrystals®: Formulation development, antioxidant activity and cellular safety.

    Science.gov (United States)

    Hatahet, T; Morille, M; Hommoss, A; Dorandeu, C; Müller, R H; Bégu, S

    2016-05-01

    Flavonoids are natural plant pigments, which possess high antioxidative and antiradical activities. However, their poor water solubility led to a limited bioavailability. To overcome this major hurdle, quercetin nanocrystals were produced implementing smartCrystals® technology. This process combines bead milling and subsequent high-pressure homogenization at relatively low pressure (300bar). To test the possibility to develop a dermal formulation from quercetin smartCrystals®, quercetin nanosuspensions were admixed to Lutrol® F127 and hydroxythylcellulose nonionic gels. The physicochemical properties (morphology, size and charge), saturation solubility, dissolution velocity and the antioxidant properties (DPPH assay) as well as the cellular interaction of the produced quercetin smartCrystals® were studied and compared to crude quercetin powder. Quercetin smartCrystals® showed a strong increase in the saturation solubility and the dissolution velocity (7.6 fold). SmartCrystals® loaded or not into gels proved to be physically stable over a period of three months at 25°C. Interestingly, in vitro DPPH assay confirmed the preservation of quercetin antioxidative properties after nanonization. In parallel, the nanocrystalline form did not display cellular toxicity, even at high concentration (50μg/ml), as assayed on an epithelial cell line (VERO cells). In addition, the nanocrystalline form confirmed a protective activity for VERO cells against hydrogen peroxide induced toxicity in vitro. This new formulation presents a promising approach to deliver quercetin efficiently to skin in well-tolerated formulations. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Estimating activity energy expenditure: how valid are physical activity questionnaires?

    Science.gov (United States)

    Neilson, Heather K; Robson, Paula J; Friedenreich, Christine M; Csizmadi, Ilona

    2008-02-01

    Activity energy expenditure (AEE) is the modifiable component of total energy expenditure (TEE) derived from all activities, both volitional and nonvolitional. Because AEE may affect health, there is interest in its estimation in free-living people. Physical activity questionnaires (PAQs) could be a feasible approach to AEE estimation in large populations, but it is unclear whether or not any PAQ is valid for this purpose. Our aim was to explore the validity of existing PAQs for estimating usual AEE in adults, using doubly labeled water (DLW) as a criterion measure. We reviewed 20 publications that described PAQ-to-DLW comparisons, summarized study design factors, and appraised criterion validity using mean differences (AEE(PAQ) - AEE(DLW), or TEE(PAQ) - TEE(DLW)), 95% limits of agreement, and correlation coefficients (AEE(PAQ) versus AEE(DLW) or TEE(PAQ) versus TEE(DLW)). Only 2 of 23 PAQs assessed most types of activity over the past year and indicated acceptable criterion validity, with mean differences (TEE(PAQ) - TEE(DLW)) of 10% and 2% and correlation coefficients of 0.62 and 0.63, respectively. At the group level, neither overreporting nor underreporting was more prevalent across studies. We speculate that, aside from reporting error, discrepancies between PAQ and DLW estimates may be partly attributable to 1) PAQs not including key activities related to AEE, 2) PAQs and DLW ascertaining different time periods, or 3) inaccurate assignment of metabolic equivalents to self-reported activities. Small sample sizes, use of correlation coefficients, and limited information on individual validity were problematic. Future research should address these issues to clarify the true validity of PAQs for estimating AEE.

  20. Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

    Science.gov (United States)

    Ward, Logan; Liu, Ruoqian; Krishna, Amar; Hegde, Vinay I.; Agrawal, Ankit; Choudhary, Alok; Wolverton, Chris

    2017-07-01

    While high-throughput density functional theory (DFT) has become a prevalent tool for materials discovery, it is limited by the relatively large computational cost. In this paper, we explore using DFT data from high-throughput calculations to create faster, surrogate models with machine learning (ML) that can be used to guide new searches. Our method works by using decision tree models to map DFT-calculated formation enthalpies to a set of attributes consisting of two distinct types: (i) composition-dependent attributes of elemental properties (as have been used in previous ML models of DFT formation energies), combined with (ii) attributes derived from the Voronoi tessellation of the compound's crystal structure. The ML models created using this method have half the cross-validation error and similar training and evaluation speeds to models created with the Coulomb matrix and partial radial distribution function methods. For a dataset of 435 000 formation energies taken from the Open Quantum Materials Database (OQMD), our model achieves a mean absolute error of 80 meV/atom in cross validation, which is lower than the approximate error between DFT-computed and experimentally measured formation enthalpies and below 15% of the mean absolute deviation of the training set. We also demonstrate that our method can accurately estimate the formation energy of materials outside of the training set and be used to identify materials with especially large formation enthalpies. We propose that our models can be used to accelerate the discovery of new materials by identifying the most promising materials to study with DFT at little additional computational cost.

  1. A new crystal lattice structure of Helicobacter pylori neutrophil-activating protein (HP-NAP)

    International Nuclear Information System (INIS)

    Tsuruta, Osamu; Yokoyama, Hideshi; Fujii, Satoshi

    2012-01-01

    A new crystal lattice structure of H. pylori neutrophil-activating protein has been determined. Iron loading causes a series of conformational changes at the ferroxidase centre. A new crystal lattice structure of Helicobacter pylori neutrophil-activating protein (HP-NAP) has been determined in two forms: the native state (Apo) at 2.20 Å resolution and an iron-loaded form (Fe-load) at 2.50 Å resolution. The highly solvated packing of the dodecameric shell is suitable for crystallographic study of the metal ion-uptake pathway. Like other bacterioferritins, HP-NAP forms a spherical dodecamer with 23 symmetry including two kinds of channels. Iron loading causes a series of conformational changes of amino-acid residues (Trp26, Asp52 and Glu56) at the ferroxidase centre

  2. Synthesis, crystal structure, Hirshfeld surfaces analysis and anti-ischemic activity of cinnamide derivatives

    Science.gov (United States)

    Zhong, Jian-gang; Han, Jia-pei; Li, Xiao-feng; Xu, Yi; Zhong, Yan; Wu, Bin

    2018-02-01

    Two cinnamide derivatives, namely, (E)-1-(4-(bis(4-methylphenyl)- methyl)piperazin-1-yl)-3-(3,4-diethoxyphenyl)prop-2-en-1-one (5) and (E)-1-(4-(bis- (4-fluorophenyl)methyl)piperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (6), have been synthesized and characterized by IR spectra, High resolution mass spectra, 1H NMR spectra, 13C NMR spectra. The compound 5 is a novel compound and has never been reported in the literature. Their crystal structures were studied by single-crystal X-ray diffraction. They all crystallize in the monoclinic system. The single-crystal X-ray revealed that compound 5 has infinite X-shaped 1-D polymeric chains structure and compound 6 has a layered 3-D structure by intermolecular interactions. Hirshfeld surface analysis demonstrated the presence of H⋯H, O⋯H, C⋯H, F⋯H, Csbnd H⋯π and π⋯π intermolecular interactions. In addition, the MTT assay results indicated that the compounds 5 and 6 display effective activities against neurotoxicity which is induced by glutamine in PC12 cells. The in vivo experiment indicated that the compound 6 has a good protective effect on cerebral infarction.

  3. Growth of cadmium oxide whiskers on cadmium sulphide single crystals with copper as growth activator

    Energy Technology Data Exchange (ETDEWEB)

    Koparanova, N.; Simov, S. (Bylgarska Akademiya na Naukite, Sofia. Inst. po Fizika na Tvyrdoto Tyalo); Genchev, D. (Bylgarska Akademiya na Naukite, Sofia. Inst. za Yadrena Izsledvaniya i Yadrena Energetika); Metchenov, G. (Research Inst. of Criminalistics and Criminology, Sofia (Bulgaria))

    1985-02-01

    Some results on the growth and morphology of cadmium oxide whiskers, obtained on cadmium sulphide single crystals with copper as a growth activator, are presented in this work. Cadmium oxide whiskers have been obtained on brace 112-bar0 brace faces of cadmium sulphide plates with a copper layer deposited in advance. The whiskers grew during the annealing of the plates in a weak stream of technically pure argon at temperatures 670 to 730 deg C for 15 min to 3.5 h. Details about the procedure have been given elsewhere. The composition and morphology of the whiskers have been studied by an X-ray microanalyser JEOL 35 DDS and a scanning electron microscope JEOL, JSM 35. The optical microscopic observations have shown that after annealing, a gray-black granular layer is formed on the cadmium sulphide single crystals and this layer can easily be separated from the crystal substrate. Under the granular layer the crystal is heavily damaged. The whiskers grow on the granular layer and they are coloured yellow-brown or red-brown. The maximum whisker length attains several hundreds of micrometres and in some cases up to 1 mm or more.

  4. Growth of cadmium oxide whiskers on cadmium sulphide single crystals with copper as growth activator

    International Nuclear Information System (INIS)

    Koparanova, N.; Simov, S.

    1985-01-01

    Some results on the growth and morphology of cadmium oxide whiskers, obtained on cadmium sulphide single crystals with copper as a growth activator, are presented in this work. Cadmium oxide whiskers have been obtained on brace 112-bar0 brace faces of cadmium sulphide plates with a copper layer deposited in advance. The whiskers grew during the annealing of the plates in a weak stream of technically pure argon at temperatures 670 to 730 deg C for 15 min to 3.5 h. Details about the procedure have been given elsewhere. The composition and morphology of the whiskers have been studied by an X-ray microanalyser JEOL 35 DDS and a scanning electron microscope JEOL, JSM 35. The optical microscopic observations have shown that after annealing, a gray-black granular layer is formed on the cadmium sulphide single crystals and this layer can easily be separated from the crystal substrate. Under the granular layer the crystal is heavily damaged. The whiskers grow on the granular layer and they are coloured yellow-brown or red-brown. The maximum whisker length attains several hundreds of micrometres and in some cases up to 1 mm or more. (author)

  5. Solar Energy Education. Renewable energy activities for chemistry and physics

    Energy Technology Data Exchange (ETDEWEB)

    1985-01-01

    Information on renewable energy sources is provided for students in this teachers' guide. With the chemistry and physics student in mind, solar energy topics such as absorber plate coatings for solar collectors and energy collection and storage methods are studied. (BCS)

  6. Structuring of material parameters in lithium niobate crystals with low-mass, high-energy ion radiation

    Science.gov (United States)

    Peithmann, K.; Eversheim, P.-D.; Goetze, J.; Haaks, M.; Hattermann, H.; Haubrich, S.; Hinterberger, F.; Jentjens, L.; Mader, W.; Raeth, N. L.; Schmid, H.; Zamani-Meymian, M.-R.; Maier, K.

    2011-10-01

    Ferroelectric lithium niobate crystals offer a great potential for applications in modern optics. To provide powerful optical components, tailoring of key material parameters, especially of the refractive index n and the ferroelectric domain landscape, is required. Irradiation of lithium niobate crystals with accelerated ions causes strong structured modifications in the material. The effects induced by low-mass, high-energy ions (such as 3He with 41 MeV, which are not implanted, but transmit through the entire crystal volume) are reviewed. Irradiation yields large changes of the refractive index Δn, improved domain engineering capability within the material along the ion track, and waveguiding structures. The periodic modification of Δn as well as the formation of periodically poled lithium niobate (PPLN) (supported by radiation damage) is described. Two-step knock-on displacement processes, 3He→Nb and 3He→O causing thermal spikes, are identified as origin for the material modifications.

  7. Slow-light-enhanced energy efficiency for graphene microheaters on silicon photonic crystal waveguides

    Science.gov (United States)

    Yan, Siqi; Zhu, Xiaolong; Frandsen, Lars Hagedorn; Xiao, Sanshui; Mortensen, N. Asger; Dong, Jianji; Ding, Yunhong

    2017-01-01

    Slow light has been widely utilized to obtain enhanced nonlinearities, enhanced spontaneous emissions and increased phase shifts owing to its ability to promote light–matter interactions. By incorporating a graphene on a slow-light silicon photonic crystal waveguide, here we experimentally demonstrate an energy-efficient graphene microheater with a tuning efficiency of 1.07 nmmW−1 and power consumption per free spectral range of 3.99 mW. The rise and decay times (10–90%) are only 750 and 525 ns, which, to the best of our knowledge, are the fastest reported response times for microheaters in silicon photonics. The corresponding figure of merit of the device is 2.543 nW s, one order of magnitude better than results reported in previous studies. The influence of the length and shape of the graphene heater to the tuning efficiency is further investigated, providing valuable guidelines for enhancing the tuning efficiency of the graphene microheater. PMID:28181531

  8. Monte Carlo calculation of energy loss of hydrogen and helium ions transmitted under channelling conditions in silicon single crystal

    International Nuclear Information System (INIS)

    El Bounagui, O.; Erramli, H.

    2010-01-01

    In this work, we report on calculations of the electronic channelling energy loss of hydrogen and helium ions along Si and Si axial directions for the low energy range by using the Monte Carlo simulation code. Simulated and experimental data are compared for protons and He ions in the and axis of silicon. A reasonable agreement was found. Computer simulation was also employed to study the angular dependence of energy loss for 0.5, 0.8, 1, and 2 MeV channelled 4 He ions transmitted through a silicon crystal of 3 μm thickness along the axis.

  9. Temperature-dependent surface structure, composition, and electronic properties of the clean SrTiO3(111) crystal face: Low-energy-electron diffraction, Auger-electron spectroscopy, electron energy loss, and ultraviolet-photoelectron spectroscopy studies

    International Nuclear Information System (INIS)

    Lo, W.J.; Somorjai, G.A.

    1978-01-01

    Low-energy-electron diffraction, Auger-electron spectroscopy, electron-energy-loss, and ultraviolet-photoelectron spectroscopies were used to study the structure, composition, and electron energy distribution of a clean single-crystal (111) face of strontium titanate (perovskite). The dependence of the surface chemical composition on the temperature has been observed along with corresponding changes in the surface electronic properties. High-temperature Ar-ion bombardment causes an irreversible change in the surface structure, stoichiometry, and electron energy distribution. In contrast to the TiO 2 surface, there are always significant concentrations of Ti 3+ in an annealed ordered SrTiO 3 (111) surface. This stable active Ti 3+ monolayer on top of a substrate with large surface dipole potential makes SrTiO 3 superior to TiO 2 when used as a photoanode in the photoelectrochemical cell

  10. Ultrasound scans and dual energy CT identify tendons as preferred anatomical location of MSU crystal depositions in gouty joints.

    Science.gov (United States)

    Yuan, Yuan; Liu, Chang; Xiang, Xi; Yuan, Tong-Ling; Qiu, Li; Liu, Yi; Luo, Yu-Bin; Zhao, Y; Herrmann, Martin

    2018-05-01

    The present study was performed to localize the articular deposition of monosodium urate (MSU) crystal in joints. We compare the detection efficiencies of dual-energy CT (DECT) and ultrasound scans. Analyses by DECT and ultrasound were performed with 184 bilateral joints of the lower limbs of 54 consecutive gout patients. All joints were categorized into (1) knee, (2) ankle, (3) MTP1, and (4) MTP2, and sorted into those with and those without detectable MSU deposition. The comparison of the positive rate between DECT and ultrasound and the agreement was performed using the McNemar test and the Cohen's κ coefficient, respectively. Next, we listed the MSU crystal deposition as assessed by ultrasound between the DECT-positive and -negative joints according to their interior structure. We included tendons, synovia, cartilage, subcutaneous tissue, etc. RESULTS: Among all joints, the percentages with MSU crystal deposition detected by DECT (99/184, 53.8%) and ultrasound (106/184, 57.6%) were comparable (P = 0.530 > 0.05). For MTP1 (21/34, 61.8%; 12/34, 35.3%; P efficient, respectively. The data concordance in 46 of 50 joints (92.00%; κ = 0.769, P location of MSU crystal deposition. The tendons are the most frequent anatomical location of MSU crystal depositions. The concordance rate of knee joints and MTP2-5 joints shows good agreement between DECT and ultrasound depending on the location.

  11. Synthesis, crystal structure and biological activity of a novel 1,2,3-thidiazole compound

    International Nuclear Information System (INIS)

    Ke, W.

    2013-01-01

    A new 1,2,3-thiadiazole compound was synthesized and characterized by 1H NMR, MS and HRMS. The crystal structure of the title compound (C/sub 12/H/sub 11/ClN/sub 2/O/sub 4/S/sub 2/, Mr = 346.80) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 with a = 8.4425(17) A, b = 8.9801(18) A, c = 9.859(2) A, alpha = 84.36(3) degree, beta = 86.71(3)degree, lambda = 83.25(3) degree, V = 737.9(3)A3, Z 2, F(000) = 356, Dc = 1.561 g/cm/sup 3/, mu = 0.557 mm-1, the final R1 0.0380 and wR2 = 0.0982 for 2160 observed reflections with I > 2sigma(I). A total of 12585 reflections were collected, of which 2601 were independent (Rint 0.0364). The herbicidal activity of title compound was determined, the results showed the title compound displayed excellent herbicidal activity against Brassica campestris. (author)

  12. The Effect of Cellulose Crystal Structure and Solid-State Morphology on the Activity of Cellulases

    Energy Technology Data Exchange (ETDEWEB)

    Stipanovic, Arthur J [SUNY College of Environmental Science and Forestry

    2014-11-17

    Consistent with the US-DOE and USDA “Roadmap” objective of producing ethanol and chemicals from cellulosic feedstocks more efficiently, a three year research project entitled “The Effect of Cellulose Crystal Structure and Solid-State Morphology on the Activity of Cellulases” was initiated in early 2003 under DOE sponsorship (Project Number DE-FG02-02ER15356). A three year continuation was awarded in June 2005 for the period September 15, 2005 through September 14, 2008. The original goal of this project was to determine the effect of cellulose crystal structure, including allomorphic crystalline form (Cellulose I, II, III, IV and sub-allomorphs), relative degree of crystallinity and crystallite size, on the activity of different types of genetically engineered cellulase enzymes to provide insight into the mechanism and kinetics of cellulose digestion by “pure” enzymes rather than complex mixtures. We expected that such information would ultimately help enhance the accessibility of cellulose to enzymatic conversion processes thereby creating a more cost-effective commercial process yielding sugars for fermentation into ethanol and other chemical products. Perhaps the most significant finding of the initial project phase was that conversion of native bacterial cellulose (Cellulose I; BC-I) to the Cellulose II (BC-II) crystal form by aqueous NaOH “pretreatment” provided an increase in cellulase conversion rate approaching 2-4 fold depending on enzyme concentration and temperature, even when initial % crystallinity values were similar for both allomorphs.

  13. Composition-tuned band gap energy and refractive index in GaS{sub x}Se{sub 1−x} layered mixed crystals

    Energy Technology Data Exchange (ETDEWEB)

    Isik, Mehmet, E-mail: mehmet.isik@atilim.edu.tr [Department of Electrical and Electronics Engineering, Atilim University, 06836, Ankara (Turkey); Gasanly, Nizami [Department of Physics, Middle East Technical University, 06800, Ankara (Turkey); Virtual International Scientific Research Centre, Baku State University, 1148, Baku (Azerbaijan)

    2017-04-01

    Transmission and reflection measurements on GaS{sub x}Se{sub 1−x} mixed crystals (0 ≤ x ≤ 1) were carried out in the 400–1000 nm spectral range. Band gap energies of the studied crystals were obtained using the derivative spectra of transmittance and reflectance. The compositional dependence of band gap energy revealed that as sulfur (selenium) composition is increased (decreased) in the mixed crystals, band gap energy increases quadratically from 1.99 eV (GaSe) to 2.55 eV (GaS). Spectral dependencies of refractive indices of the mixed crystals were plotted using the reflectance spectra. It was observed that refractive index decreases nearly in a linear behavior with increasing band gap energy for GaS{sub x}Se{sub 1−x} mixed crystals. Moreover, the composition ratio of the mixed crystals was obtained from the energy dispersive spectroscopy measurements. The atomic compositions of the studied crystals are well-matched with composition x increasing from 0 to 1 by intervals of 0.25. - Highlights: • Transmission and reflection experiments were performed on GaS{sub x}Se{sub 1−x} mixed crystals. • Derivative spectra of transmittance and reflectance were used for analyses. • Compositional dependence of band gap energy and refractive index were reported.

  14. International Atomic Energy Agency activities in decommissioning

    International Nuclear Information System (INIS)

    Reisenweaver, D W.; )

    2005-01-01

    Full text: The International Atomic Energy Agency (IAEA) has been addressing the safety and technical issues of decommissioning for over 20 years, but their focus has been primarily on planning. Up to know, the activities have been on an ad hoc basis and sometimes, important issues have been missed. A new Action Plan on the Decommissioning of Nuclear Facilities has recently been approved by the Agency's board of Governors which will focus the Agency's efforts and ensure that our Member States' concerns are addressed. The new initiatives associated with this Action Plan will help ensure that decommissioning activities in the future are performed in a safe and coherent manner. The International Atomic Energy Agency (IAEA) has been preparing safety and technical documents concerning decommissioning since the mid-1980's. There have been over 30 documents prepared that provide safety requirements, guidance and supporting technical information. Many of these documents are over 10 years old and need updating. The main focus in the past has been on planning for decommissioning. During the past five years, a set of Safety Standards have been prepared and issued to provide safety requirements and guidance to Member States. However, decommissioning was never a real priority with the Agency, but was something that had to be addressed. To illustrate this point, the first requirements documents on decommissioning were issued as part of a Safety Requirements [1] on pre-disposal management of radioactive waste. It was felt that decommissioning did not deserve its own document because it was just part of the normal waste management process. The focus was mostly on waste management. The Agency has assisted Member States with the planning process for decommissioning. Most of these activities have been focused on nuclear power plants and research reactors. Now, support for the decommissioning of other types of facilities is being requested. The Agency is currently providing technical

  15. Competition of the self-activated and Mn-related luminescence in ZnS single crystals

    Science.gov (United States)

    Bacherikov, Yu. Yu.; Vorona, I. P.; Markevich, I. V.; Korsunska, N. O.; Kurichka, R. V.

    2018-06-01

    The photoluminescence (PL) and photoluminescence excitation (PLE) spectra of ZnS single crystals thermally doped from ZnS/MnS mixture were studied at 300 and 77 K. PL spectra exhibit bands caused by Mn-related centers and centers of self-activated (SA) emission. Besides intrinsic maximum, a number of narrow peaks corresponded to Mn-related absorption are found in the PLE spectra of both SA and Mn-related emission. A redistribution of SA and Mn-related emission intensities is observed with temperature change. The mechanism of this phenomenon involving free hole trapping by MnZn and the possible position of a ground energy level of substitutional Mn are discussed.

  16. Results on the Coherent Interaction of High Energy Electrons and Photons in Oriented Single Crystals

    CERN Document Server

    Apyan, A.; Badelek, B.; Ballestrero, S.; Biino, C.; Birol, I.; Cenci, P.; Connell, S.H.; Eichblatt, S.; Fonseca, T.; Freund, A.; Gorini, B.; Groess, R.; Ispirian, K.; Ketel, T.J.; Kononets, Yu.V.; Lopez, A.; Mangiarotti, A.; van Rens, B.; Sellschop, J.P.F.; Shieh, M.; Sona, P.; Strakhovenko, V.; Uggerhoj, E.; Uggerhj, Ulrik Ingerslev; Unel, G.; Velasco, M.; Vilakazi, Z.Z.; Wessely, O.; Kononets, Yu.V.

    2005-01-01

    The CERN-NA-59 experiment examined a wide range of electromagnetic processes for multi-GeV electrons and photons interacting with oriented single crystals. The various types of crystals and their orientations were used for producing photon beams and for converting and measuring their polarisation. The radiation emitted by 178 GeV unpolarised electrons incident on a 1.5 cm thick Si crystal oriented in the Coherent Bremsstrahlung (CB) and the String-of-Strings (SOS) modes was used to obtain multi-GeV linearly polarised photon beams. A new crystal polarimetry technique was established for measuring the linear polarisation of the photon beam. The polarimeter is based on the dependence of the Coherent Pair Production (CPP) cross section in oriented single crystals on the direction of the photon polarisation with respect to the crystal plane. Both a 1 mm thick single crystal of Germanium and a 4 mm thick multi-tile set of synthetic Diamond crystals were used as analyzers of the linear polarisation. A birefringence ...

  17. A BaF2 crystal array for high energy -ray measurements

    Indian Academy of Sciences (India)

    A very well-known such array is called two-arm-photon- spectrometer (TAPS) [1]. It consists of large (25 cm long) hexagonal BaF¾ crystals ar- ranged in packs of 64 crystals. ... light which may not reach the photomultiplier tube. A sketch of the ...

  18. Implication of Crystal Water Molecules in Inhibitor Binding at ALR2 Active Site

    Directory of Open Access Journals (Sweden)

    Hymavati

    2012-01-01

    Full Text Available Water molecules play a crucial role in mediating the interaction between a ligand and a macromolecule. The solvent environment around such biomolecule controls their structure and plays important role in protein-ligand interactions. An understanding of the nature and role of these water molecules in the active site of a protein could greatly increase the efficiency of rational drug design approaches. We have performed the comparative crystal structure analysis of aldose reductase to understand the role of crystal water in protein-ligand interaction. Molecular dynamics simulation has shown the versatile nature of water molecules in bridge H bonding during interaction. Occupancy and life time of water molecules depend on the type of cocrystallized ligand present in the structure. The information may be useful in rational approach to customize the ligand, and thereby longer occupancy and life time for bridge H-bonding.

  19. Dynamic chaos phenomenon and coherent radiation accompanying high energy particle motion through crystals

    International Nuclear Information System (INIS)

    Akhiezer, A.I.; Truten', V.I.; Shul'ga, N.F.

    1991-01-01

    A crystal has a regular structure, therefore every motion in such a structure seems to be regular. However, it is not actually so and even in perfect crystals the particle motion may be either regular or chaotic. Everything depends on the number of integrals of motion determining a particle trajectory. The character of particle motion in a crystal, i.e. its regularity or chaoticity, affects many physical processes accompanying the particle's motion. In this paper we shall consider the effect of dynamic chaos on the coherent radiation of fast particles in a crystal. We also consider the validity conditions of coherent radiation theory results, the role of the second and higher Born approximations in the radiation theory of fast particles in crystals, the continuous string approximation in this theory, the coherent radiation in the model of random strings, and the multiple scattering effect on the coherent radiation. (author)

  20. Crystal structure of a plant albumin from Cicer arietinum (chickpea) possessing hemopexin fold and hemagglutination activity.

    Science.gov (United States)

    Sharma, Urvashi; Katre, Uma V; Suresh, C G

    2015-05-01

    Crystal structure of a reported PA2 albumin from Cicer arietinum shows that it belongs to hemopexin fold family, has four beta-propeller motifs and possesses hemagglutination activity, making it different from known legume lectins. A plant albumin (PA2) from Cicer arietinum, presumably a lectin (CAL) owing to its hemagglutination activity which is inhibited by complex sugars as well as glycoproteins such as fetuin, desialylated fetuin and fibrinogen. The three-dimensional structure of this homodimeric protein has been determined using X-ray crystallography at 2.2 Å in two crystal forms: orthorhombic (P21212) and trigonal (P3). The structure determined using molecular replacement method and refined in orthorhombic crystal form reached R-factors R free 22.6 % and R work 18.2 % and in trigonal form had 22.3 and 17.9 % in the resolution range of 20.0-2.2 and 35.3-2.2 Å, respectively. Interestingly, unlike the known legume lectin fold, the structure of this homodimeric hemagglutinin belonged to hemopexin fold that consisted of four-bladed β-propeller architecture. Each subunit has a central cavity forming a channel, inside of which is lined with hydrophobic residues. The channel also bears binding sites for ligands such as calcium, sodium and chloride ions, iodine atom in the case of iodine derivative and water molecules. However, none of these ligands seem important for the sugar recognition. No monosaccharide sugar specificity could be detected using hemagglutination inhibition. Chemical modification studies identified a potential sugar-binding site per subunit molecule. Comparison of C-alpha atom positions in subunit structures showed that the deviations between the two crystal forms were more with respect to blades I and IV. Differences also existed between subunits in two forms in terms of type and site of ligand binding.

  1. Study of multiplet structures of Mn4+ activated in fluoride crystals

    International Nuclear Information System (INIS)

    Novita, Mega; Honma, Tetsuo; Hong, Byungchul; Ohishi, Atsushi; Ogasawara, Kazuyoshi

    2016-01-01

    We investigated the optical properties of Mn 4+ in some fluoride crystals such as Cs 2 MnF 6 , Cs 2 GeF 6 , Rb 2 GeF 6 , Cs 2 SiF 6 , K 2 SiF 6 , Rb 2 MnF 6 , Rb 2 SiF 6 , K 2 GeF 6 , K 2 TiF 6 , Li 2 MnF 6 , Na 2 GeF 6 , Na 2 SiF 6 , and Na 2 TiF 6 based on the first-principle calculation using the discrete-variational multi-electron method. In order to estimate the lattice relaxation, we performed EXAFS measurement of Mn 4+ doped in K 2 SiF 6 , K 2 TiF 6 , and K 2 GeF 6 . The relaxation rates of A 2 BF 6 :Mn 4+ were fixed to be the above estimated values, 102.24%, 107.37% or 96.80% for crystal having Si, Ge, or Ti at the B cation site, respectively. In this work, we also considered some corrections such as configuration dependent correction and correlation correction to improve the theoretical energies. It has been shown that to reproduce multiplet energy levels quantitatively, the lattice relaxation is very important. On the other hand, for a qualitative prediction of the tendencies of the multiplet energies, the combination of lattice relaxation effect, configuration dependent correction, and correlation correction is effective. - Highlights: • Multiplet structures of A 2 BF 6 :Mn 4+ were calculated from first-principles. • Lattice relaxation was estimated based on EXAFS experiment. • Lattice relaxation is important to reproduce multiplet energies quantitatively. • CDC and CC are important to reproduce tendencies of multiplet energies.

  2. Acousto-optic control of internal acoustic reflection in tellurium dioxide crystal in case of strong elastic energy walkoff [Invited].

    Science.gov (United States)

    Voloshinov, Vitaly; Polikarpova, Nataliya; Ivanova, Polina; Khorkin, Vladimir

    2018-04-01

    Peculiar cases of acoustic wave propagation and reflection may be observed in strongly anisotropic acousto-optical crystals. A tellurium dioxide crystal serves as a prime example of such media, since it possesses record indexes of acoustic anisotropy. We studied one of the unusual scenarios of acoustic incidence and reflection from a free crystal-vacuum boundary in paratellurite. The directions of the acoustic waves in the (001) plane of the crystal were determined, and their basic characteristics were calculated. The carried-out acousto-optic experiment at the wavelength of light 532 nm and the acoustic frequency 73 MHz confirmed the theoretical predictions. The effects examined in the paper include the acoustic wave propagation with the record walkoff angle 74°. We also observed the incidence of the wave on the boundary at the angle exceeding 90°. Finally, we registered the close-to-back reflection of acoustic energy following the incidence. One of the stunning aspects is the distribution of energy between the incident and the back-reflected wave. The unusual features of the acoustic wave reflections pointed out in the paper are valuable for their possible applications in acousto-optic devices.

  3. Steady-state hydrodynamic instabilities of active liquid crystals: hybrid lattice Boltzmann simulations.

    Science.gov (United States)

    Marenduzzo, D; Orlandini, E; Cates, M E; Yeomans, J M

    2007-09-01

    We report hybrid lattice Boltzmann (HLB) simulations of the hydrodynamics of an active nematic liquid crystal sandwiched between confining walls with various anchoring conditions. We confirm the existence of a transition between a passive phase and an active phase, in which there is spontaneous flow in the steady state. This transition is attained for sufficiently "extensile" rods, in the case of flow-aligning liquid crystals, and for sufficiently "contractile" ones for flow-tumbling materials. In a quasi-one-dimensional geometry, deep in the active phase of flow-aligning materials, our simulations give evidence of hysteresis and history-dependent steady states, as well as of spontaneous banded flow. Flow-tumbling materials, in contrast, rearrange themselves so that only the two boundary layers flow in steady state. Two-dimensional simulations, with periodic boundary conditions, show additional instabilities, with the spontaneous flow appearing as patterns made up of "convection rolls." These results demonstrate a remarkable richness (including dependence on anchoring conditions) in the steady-state phase behavior of active materials, even in the absence of external forcing; they have no counterpart for passive nematics. Our HLB methodology, which combines lattice Boltzmann for momentum transport with a finite difference scheme for the order parameter dynamics, offers a robust and efficient method for probing the complex hydrodynamic behavior of active nematics.

  4. The Limit of Free Magnetic Energy in Active Regions

    Science.gov (United States)

    Moore, Ron; Falconer, David; Sterling, Alphonse

    2012-01-01

    By measuring from active-region magnetograms a proxy of the free energy in the active region fs magnetic field, it has been found previously that (1) there is an abrupt upper limit to the free energy the field can hold that increases with the amount of magnetic field in the active region, the active region fs magnetic flux content, and (2) the free energy is usually near its limit when the field explodes in a CME/flare eruption. That is, explosive active regions are concentrated in a main-sequence path bordering the free-energy ]limit line in (flux content, free-energy proxy) phase space. Here, from measurement of Marshall Space Flight Center vector magnetograms, we find the magnetic condition that underlies the free ]energy limit and the accompanying main sequence of explosive active regions. Using a suitable free ]energy proxy measured from vector magnetograms of 44 active regions, we find that (1) in active regions at and near their free ]energy limit, the ratio of magnetic-shear free energy to the non ]free magnetic energy the potential field would have is approximately 1 in the core field, the field rooted along the neutral line, and (2) this ratio is progressively less in active regions progressively farther below their free ]energy limit. This shows that most active regions in which this core-field energy ratio is much less than 1 cannot be triggered to explode; as this ratio approaches 1, most active regions become capable of exploding; and when this ratio is 1 or greater, most active regions are compelled to explode. From these results we surmise the magnetic condition that determines the free ]energy limit is the ratio of the free magnetic energy to the non-free energy the active region fs field would have were it completely relaxed to its potential ]field configuration, and that this ratio is approximately 1 at the free-energy limit and in the main sequence of explosive active regions.

  5. Wind energy activities at UNIANDES, Colombia

    International Nuclear Information System (INIS)

    Pinilla, A.

    1991-01-01

    In Colombia, a cooperation has been established between the Universidad de Los Andes and local manufacturers. It shows that the interaction between a local R ampersand D institution and local manufacturers can stimulate the introduction of small wind pumps. Wind energy activities at the University started in 1973, which resulted in the first product in 1976. Two wind pumps have been developed. One is the Jober (D=2.5 m, H<25m, 900 US$, 600 when installed), the other is the Gaviotas (D=2m, H<15m, 450 US$) wind pump. A lot of good, low cost measuring equipment has been developed at the University, a.o. an electro-magnetic flow meter, which costs only 200 US$ (commercially available products cost 3,000 US$). Good experiences have been obtained in research under field conditions, with participation of the end-users. Gaviotas has a remarkable marketing strategy: during the wet season some 40 to 60 wind pumps are manufactured. In the dry season each installed Gaviotas wind pump is visited for maintenance. These maintenance visits are combined with promotion: potential users in the neighbourhood are taken to the wind pumps for demonstration. Regarding future activities, a proposal for a joint program with the Technical University in Eindhoven (Netherlands) and the Reading University in the United Kingdom has been approved. 6 figs., 4 ills., 5 refs

  6. Structural and compositional characterization of LiNbO{sub 3} crystals implanted with high energy iron ions

    Energy Technology Data Exchange (ETDEWEB)

    Sada, C., E-mail: cinzia.sada@unipd.i [Universita di Padova and CNISM, Dipartimento di Fisica, Via Marzolo 8, 35131 Padova (Italy); Argiolas, N.; Bazzan, M.; Ciampolillo, M.V.; Zaltron, A.M.; Mazzoldi, P. [Universita di Padova and CNISM, Dipartimento di Fisica, Via Marzolo 8, 35131 Padova (Italy); Agarwal, D.C.; Avastshi, D.K. [Inter-University Accelerator Centre, Post Box-10502, New Delhi 110067 (India)

    2010-10-01

    Iron ions were implanted with a total fluence of 6 x 10{sup 17} ions/m{sup 2} into lithium niobate crystals by way of a sequential implantation at different energies of 95, 100 and 105 MeV respectively through an energy retarder Fe foil to get a uniform Fe doping of about few microns from the surface. The implanted crystals were then annealed in air in the range 200-400 {sup o}C for different durations to promote the crystalline quality that was damaged by implantation. In order to understand the basic phenomena underlying the implantation process, compositional in-depth profiles obtained by the secondary ion mass spectrometry were correlated to the structural properties of the implanted region measured by the high resolution X-ray diffraction depending on the process parameters. The optimised preparation conditions are outlined in order to recover the crystalline quality, essential for integrated photorefractive applications.

  7. Influence of incoherent scattering on stochastic deflection of high-energy negative particle beams in bent crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kirillin, I.V. [Akhiezer Institute for Theoretical Physics, National Science Center ' ' Kharkov Institute of Physics and Technology' ' , Kharkov (Ukraine); Shul' ga, N.F. [Akhiezer Institute for Theoretical Physics, National Science Center ' ' Kharkov Institute of Physics and Technology' ' , Kharkov (Ukraine); V.N. Karazin Kharkov National University, Kharkov (Ukraine); Bandiera, L. [INFN Sezione di Ferrara, Ferrara (Italy); Guidi, V.; Mazzolari, A. [INFN Sezione di Ferrara, Ferrara (Italy); Universita degli Studi di Ferrara, Dipartimento di Fisica e Scienze della Terra, Ferrara (Italy)

    2017-02-15

    An investigation on stochastic deflection of high-energy negatively charged particles in a bent crystal was carried out. On the basis of analytical calculation and numerical simulation it was shown that there is a maximum angle at which most of the beam is deflected. The existence of a maximum, which is taken in the correspondence of the optimal radius of curvature, is a novelty with respect to the case of positively charged particles, for which the deflection angle can be freely increased by increasing the crystal length. This difference has to be ascribed to the stronger contribution of incoherent scattering affecting the dynamics of negative particles that move closer to atomic nuclei and electrons. We therefore identified the ideal parameters for the exploitation of axial confinement for negatively charged particle beam manipulation in future high-energy accelerators, e.g., ILC or muon colliders. (orig.)

  8. Linear energy transfer effects on time profiles of scintillation of Ce-doped LiCaAlF6 crystals

    International Nuclear Information System (INIS)

    Yanagida, Takayuki; Koshimizu, Masanori; Kurashima, Satoshi; Iwamatsu, Kazuhiro; Kimura, Atsushi; Taguchi, Mitsumasa; Fujimoto, Yutaka; Asai, Keisuke

    2015-01-01

    We measured temporal profiles of the scintillation of Ce-doped LiCaAlF 6 scintillator crystals at different linear energy transfers (LETs). Based on the comparison of high-LET temporal profiles with those at low LET, a fast component was observed only at low LET. The disappearance of the fast component at high LET is tentatively ascribed to the quenching of excited states at crystal defects owing to the interaction between excited states via the Auger process. In addition, the rise and the initial decay behavior were dependent on the LET. This LET-dependent behavior is explained by an acceleration process and a deceleration process in energy transfer at high LET. The LET-dependent temporal profiles provide the basis for a discrimination technique of gamma-ray and neutron detection events using these scintillators based on the nuclear reaction, 6 Li(n,α)t.

  9. In Vitro Effects of Sports and Energy Drinks on Streptococcus mutans Biofilm Formation and Metabolic Activity.

    Science.gov (United States)

    Vinson, LaQuia A; Goodlett, Amy K; Huang, Ruijie; Eckert, George J; Gregory, Richard L

    2017-09-15

    Sports and energy drinks are being increasingly consumed and contain large amounts of sugars, which are known to increase Streptococcus mutans biofilm formation and metabolic activity. The purpose of this in vitro study was to investigate the effects of sports and energy drinks on S. mutans biofilm formation and metabolic activity. S. mutans UA159 was cultured with and without a dilution (1:3 ratio) of a variety of sports and energy drinks in bacterial media for 24 hours. The biofilm was washed, fixed, and stained. Biofilm growth was evaluated by reading absorbance of the crystal violet. Biofilm metabolic activity was measured by the biofilm-reducing XTT to a water-soluble orange compound. Gatorade Protein Recovery Shake and Starbucks Doubleshot Espresso Energy were found to significantly increase biofilm (30-fold and 22-fold, respectively) and metabolic activity (2-fold and 3-fold, respectively). However, most of the remaining drinks significantly inhibited biofilm growth and metabolic activity. Several sports and energy drinks, with sugars or sugar substitutes as their main ingredients inhibited S. mutans biofilm formation. Among the drinks evaluated, Gatorade Protein Recovery Chocolate Shake and Starbucks Doubleshot Energy appear to have cariogenic potential since they increased the biofilm formation and metabolic activity of S. mutans.

  10. Spectrometric properties of crystals for low-energy x-ray diagnostics

    International Nuclear Information System (INIS)

    Barrus, D.m.; Blake, R.L.; Felthauser, H.; Fenimore, E.E.

    1981-01-01

    Quantitative diagnostics of fusion and astrophysical plasmas require knowledge of crystal spectrometric properties. To provide more reliable and versatile diagnostics of plasma conditions, increasingly accurate knowledge of crystal spectrometric properties is becoming necessary. A summary is presented of the following accurately measured parameters for the crystals KAP, RbAP, TlAP, NH 4 AP, NaAP, ADP, and EDDT: the interplanar spacing of atoms; the angle correction for normal and anomalous dispersion that is required for application of the Bragg formula; the thermal expansion coefficient near room temperature for commonly used planes; and the integrated coefficient of reflection

  11. Global low-energy weak solution and large-time behavior for the compressible flow of liquid crystals

    Science.gov (United States)

    Wu, Guochun; Tan, Zhong

    2018-06-01

    In this paper, we consider the weak solution of the simplified Ericksen-Leslie system modeling compressible nematic liquid crystal flows in R3. When the initial data are of small energy and initial density is positive and essentially bounded, we prove the existence of a global weak solution in R3. The large-time behavior of a global weak solution is also established.

  12. Influence of two different template removal methods on the micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres

    International Nuclear Information System (INIS)

    Wang, Han; Jin, Tingting; Zheng, Xing; Jiang, Bo; Zhu, Chaosheng; Yuan, Xiangdong; Zheng, Jingtang; Wu, Mingbo

    2016-01-01

    Hollow cadmium sulfide (CdS) nanospheres of about 260 nm average diameters and about 30 nm shell thickness can be easily synthesized via a sonochemical process, in which polystyrene (PS) nanoparticles were employed as templates. In order to remove the PS templates, both etching and calcination were applied in this paper. The influence of the two different template removal methods on the surface micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres was carefully performed a comparative study. Results of X-ray diffraction, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray, FT-IR, thermogravimetric analysis, Brunauer–Emmett–Teller, diffused reflectance spectra, and decolorization experiments showed that the different template removal methods exhibited a significant influence on the surface micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres. The CdS hollow nanospheres as-prepared by etching had pure cubic sphalerite structure, higher –OH content, less defects and exhibited good photocatalytic activity for rhodamine-B, Methylene Blue and methyl orange under UV–vis light irradiation. However, CdS hollow nanospheres obtained by calcination with a hexagonal crystal structure, less –OH content, more defects have shown worse photocatalytic activity. This indicated that surface micromorphology and crystalline phase were mainly factors influencing photocatalytic activity of hollow CdS nanospheres.

  13. Influence of two different template removal methods on the micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres

    Science.gov (United States)

    Wang, Han; Jin, Tingting; Zheng, Xing; Jiang, Bo; Zhu, Chaosheng; Yuan, Xiangdong; Zheng, Jingtang; Wu, Mingbo

    2016-11-01

    Hollow cadmium sulfide (CdS) nanospheres of about 260 nm average diameters and about 30 nm shell thickness can be easily synthesized via a sonochemical process, in which polystyrene (PS) nanoparticles were employed as templates. In order to remove the PS templates, both etching and calcination were applied in this paper. The influence of the two different template removal methods on the surface micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres was carefully performed a comparative study. Results of X-ray diffraction, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray, FT-IR, thermogravimetric analysis, Brunauer-Emmett-Teller, diffused reflectance spectra, and decolorization experiments showed that the different template removal methods exhibited a significant influence on the surface micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres. The CdS hollow nanospheres as-prepared by etching had pure cubic sphalerite structure, higher -OH content, less defects and exhibited good photocatalytic activity for rhodamine-B, Methylene Blue and methyl orange under UV-vis light irradiation. However, CdS hollow nanospheres obtained by calcination with a hexagonal crystal structure, less -OH content, more defects have shown worse photocatalytic activity. This indicated that surface micromorphology and crystalline phase were mainly factors influencing photocatalytic activity of hollow CdS nanospheres.

  14. Influence of two different template removal methods on the micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Han; Jin, Tingting [China University of Petroleum, State Key Laboratory of Heavy Oil Processing (China); Zheng, Xing, E-mail: znhk113@163.com [Beijing ZNHK Science and Technology Development Co., Ltd. (China); Jiang, Bo; Zhu, Chaosheng [China University of Petroleum, State Key Laboratory of Heavy Oil Processing (China); Yuan, Xiangdong [Baotou Light Industry and Vocational Technical College (China); Zheng, Jingtang, E-mail: jtzheng03@163.com; Wu, Mingbo [China University of Petroleum, State Key Laboratory of Heavy Oil Processing (China)

    2016-11-15

    Hollow cadmium sulfide (CdS) nanospheres of about 260 nm average diameters and about 30 nm shell thickness can be easily synthesized via a sonochemical process, in which polystyrene (PS) nanoparticles were employed as templates. In order to remove the PS templates, both etching and calcination were applied in this paper. The influence of the two different template removal methods on the surface micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres was carefully performed a comparative study. Results of X-ray diffraction, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray, FT-IR, thermogravimetric analysis, Brunauer–Emmett–Teller, diffused reflectance spectra, and decolorization experiments showed that the different template removal methods exhibited a significant influence on the surface micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres. The CdS hollow nanospheres as-prepared by etching had pure cubic sphalerite structure, higher –OH content, less defects and exhibited good photocatalytic activity for rhodamine-B, Methylene Blue and methyl orange under UV–vis light irradiation. However, CdS hollow nanospheres obtained by calcination with a hexagonal crystal structure, less –OH content, more defects have shown worse photocatalytic activity. This indicated that surface micromorphology and crystalline phase were mainly factors influencing photocatalytic activity of hollow CdS nanospheres.

  15. Investigations of the energy and angular dependence of ultra-short radiation lengths in Si, Ge and W single crystals

    CERN Multimedia

    Very recently, experiments NA33 and WA81 have shown that pair production by energetic photons incident along crystalline directions is strongly enhanced as compared to the Bethe-Heitler value for amorphous targets. The enhanced pair production sets in at around 40 GeV in Ge crystals and rises almost linearly with photon energy up to a calculated maximum enhancement of around thirty. In Si, this maximum is expected to be nearly two orders of magnitude above the Bethe-Heitler value.\\\\ For GeV electrons/positrons incident along crystal axes, the radiation energy loss also shows a very large enhancement of approximately two orders of magnitude. In a 0.4 mm W crystal, a 100 GeV electron is expected to emit on average 70% of its total energy.\\\\ The combination of these two dramatic enhancements means that the electromagnetic shower develops much faster around crystalline directions, corresponding to ultrashort radiation lengths.\\\\ The aim of this experiment is to investigate the shower development in ...

  16. Flexible Semitransparent Energy Harvester with High Pressure Sensitivity and Power Density Based on Laterally Aligned PZT Single-Crystal Nanowires.

    Science.gov (United States)

    Zhao, Quan-Liang; He, Guang-Ping; Di, Jie-Jian; Song, Wei-Li; Hou, Zhi-Ling; Tan, Pei-Pei; Wang, Da-Wei; Cao, Mao-Sheng

    2017-07-26

    A flexible semitransparent energy harvester is assembled based on laterally aligned Pb(Zr 0.52 Ti 0.48 )O 3 (PZT) single-crystal nanowires (NWs). Such a harvester presents the highest open-circuit voltage and a stable area power density of up to 10 V and 0.27 μW/cm 2 , respectively. A high pressure sensitivity of 0.14 V/kPa is obtained in the dynamic pressure sensing, much larger than the values reported in other energy harvesters based on piezoelectric single-crystal NWs. Furthermore, theoretical and finite element analyses also confirm that the piezoelectric voltage constant g 33 of PZT NWs is competitive to the lead-based bulk single crystals and ceramics, and the enhanced pressure sensitivity and power density are substantially linked to the flexible structure with laterally aligned PZT NWs. The energy harvester in this work holds great potential in flexible and transparent sensing and self-powered systems.

  17. Simple Activity Demonstrates Wind Energy Principles

    Science.gov (United States)

    Roman, Harry T.

    2012-01-01

    Wind energy is an exciting and clean energy option often described as the fastest-growing energy system on the planet. With some simple materials, teachers can easily demonstrate its key principles in their classroom. (Contains 1 figure and 2 tables.)

  18. Energy-dispersive x-Ray Analysis of Phosphorus, Potassium, Magnesium, and Calcium in Globoid Crystals in Protein Bodies from Different Regions of Cucurbita maxima Embryos 1

    Science.gov (United States)

    Lott, John N. A.; Greenwood, John S.; Vollmer, Catherine M.; Buttrose, Mark S.

    1978-01-01

    The seeds of Cucurbita maxima contain protein bodies with electrondense globoid crystals. Because of their density globoid crystals are ideal material for energy-dispersive x-ray (EDX) analysis studies of elemental composition. Fixation trials were carried out to test globoid crystal extraction during glutaraldehyde fixation, water washing, and ethanol dehydration. Glutaraldehyde fixation without subsequent washing or dehydration alone produced no significant changes in elemental composition of cotyledon globoid crystals. If glutaraldehyde fixation was followed by water washes or ethanol dehydration there was some loss of the major globoid crystal elements but the relative percentages of the elements P, K, Ca, and Mg remained relatively unchanged. In this paper results of a study of the P, K, Mg, and Ca content of globoid crystals in different tissues of squash embryos are presented. The globoid crystals in the radicle were found to be the least dense in the embryo. Globoid crystals from all embryo regions contained P, K, and Mg. In the various embryo regions P and Mg maintained relatively constant proportions of the globoid crystal composition while K and Ca varied. Of particular significance is the distribution of Ca which is generally an immobile element. Calcium was found in highest amounts in the globoid crystals of the radicle and stem regions while globoid crystals in much of the cotyledon contained little, if any, Ca. The Ca storage thus seems to be spatially arranged in a manner that would aid early growth of the root-shoot axis. PMID:16660439

  19. Transfer of energy from irradiated crystals to redox reactions: iodide/bromate and nitrite/bromate systems

    International Nuclear Information System (INIS)

    Arnikar, H.J.; Madhava Rao, B.S.; Bedekar, M.J.

    1978-01-01

    Earlier it had been shown by the authors that some of the redox reactions, which do not take place at room temperature can be induced by γ radiation. The yields are proportional to the dose. Results reported here show that instead of direct irradiation, the energy stored in irradiated crystals in the form of F and hole centres can be available, in part, in effecting redox reactions. The mechanism of such an energy transfer is discussed with reference to reactions in the I - +BrO 3 - and NO 2 - +BrO 3 - systems due to the addition of irradiated NaCl. (author)

  20. Cytostatic versus cytocidal activities of chloroquine analogues and inhibition of hemozoin crystal growth.

    Science.gov (United States)

    Gorka, Alexander P; Alumasa, John N; Sherlach, Katy S; Jacobs, Lauren M; Nickley, Katherine B; Brower, Jonathan P; de Dios, Angel C; Roepe, Paul D

    2013-01-01

    We report an improved, nonhazardous, high-throughput assay for in vitro quantification of antimalarial drug inhibition of β-hematin (hemozoin) crystallization performed under conditions that are more physiological relative to previous assays. The assay uses the differential detergent solubility of crystalline and noncrystalline forms of heme and is optimized via the use of lipid catalyst. Using this assay, we quantify the effect of pH on the crystal growth-inhibitory activities of current quinoline antimalarials, evaluate the catalytic efficiencies of different lipids, and test for a possible correlation between hemozoin inhibition by drugs versus their antiplasmodial activity. Consistent with several previous reports, we found a good correlation between hemozoin inhibition potency versus cytostatic antiplasmodial potency (50% inhibitory concentration) for a series of chloroquine (CQ) analogues. However, we found no correlation between hemozoin inhibition potency and cytocidal antiplasmodial potency (50% lethal dose) for the same drugs, suggesting that cellular targets for these two layers of 4-aminoquinoline drug activity differ. This important concept is also explored further for QN and its stereoisomers in the accompanying paper (A. P. Gorka, K. S. Sherlach, A. C. de Dios, and P. D. Roepe, Antimicrob. Agents Chemother. 57:365-374, 2013).

  1. Antimicrobial activity and second harmonic studies on organic non-centrosymmetric pure and doped ninhydrin single crystals

    Science.gov (United States)

    Prasanyaa, T.; Jayaramakrishnan, V.; Haris, M.

    2013-03-01

    In this paper, we report the successful growth of pure, Cu2+ ions and Cd2+ ions doped on ninhydrin single crystals by slow solvent evaporation technique. The presence of Cu2+ and Cd2+ ions in the specimen of ninhydrin single crystal has been determined by atomic absorption spectroscopy. The powder X-ray diffraction analysis was done to calculate the lattice parameters of the pure and doped crystals. The percentage of transmittance of the crystal was recorded using the UV-Vis Spectrophotometer. Thermal behaviors of the grown crystals have been examined by the thermal gravimetric/differential thermal analysis. The hardness of the grown crystals was assessed and the results show the minor variation in the hardness value for the pure and doped ninhydrin samples. The value of the work hardening coefficient n was found to be 2.0, 1.0 and 1.06 for pure, copper and cadmium doped ninhydrin crystals respectively. The second harmonic generation efficiency of Cd2+ and Cu2+ doped ninhydrin is 8.3 and 6.3 times greater than well known nonlinear crystal of potassium dihydrogen phosphate respectively. The antibacterial and antifungal activities of the title compound were performed by disk diffusion method against the standard bacteria Escherichia coli, Xanthomonas oryzae and against the fungus Aspergillis niger and Aspergillus flavus.

  2. Adsorption of Crystal Violet on Activated Carbon Prepared from Coal Flotation Concentrate

    Science.gov (United States)

    Aydogmus, Ramazan; Depci, Tolga; Sarikaya, Musa; Riza Kul, Ali; Onal, Yunus

    2016-10-01

    The objective of this study is firstly to investigate the floatability properties of Zilan- Van coal after microwave irradiation and secondly to produce activated carbon from flotation concentrate in order to remove Crystal Violet (CV) from waste water. The flotation experiments showed that microwave heating at 0.9 kW power level for 60 sec exposure time enhanced the hydrophobicity and increased the flotation yield. The activated carbon with remarkable surface area (696 m2/g) was produced from the flotation concentrate and used to adsorb CV from aqueous solution in a batch reactor at different temperature. The adsorption properties of CV onto the activated carbon are discussed in terms of the adsorption isotherms (Langmuir and Freundlich) and found that the experimental results best fitted by the Langmuir model.

  3. Crystallization mechanisms of acicular crystals

    Science.gov (United States)

    Puel, François; Verdurand, Elodie; Taulelle, Pascal; Bebon, Christine; Colson, Didier; Klein, Jean-Paul; Veesler, Stéphane

    2008-01-01

    In this contribution, we present an experimental investigation of the growth of four different organic molecules produced at industrial scale with a view to understand the crystallization mechanism of acicular or needle-like crystals. For all organic crystals studied in this article, layer-by-layer growth of the lateral faces is very slow and clear, as soon as the supersaturation is high enough, there is competition between growth and surface-activated secondary nucleation. This gives rise to pseudo-twinned crystals composed of several needle individuals aligned along a crystallographic axis; this is explained by regular over- and inter-growths as in the case of twinning. And when supersaturation is even higher, nucleation is fast and random. In an industrial continuous crystallization, the rapid growth of needle-like crystals is to be avoided as it leads to fragile crystals or needles, which can be partly broken or totally detached from the parent crystals especially along structural anisotropic axis corresponding to weaker chemical bonds, thus leading to slower growing faces. When an activated mechanism is involved such as a secondary surface nucleation, it is no longer possible to obtain a steady state. Therefore, the crystal number, size and habit vary significantly with time, leading to troubles in the downstream processing operations and to modifications of the final solid-specific properties. These results provide valuable information on the unique crystallization mechanisms of acicular crystals, and show that it is important to know these threshold and critical values when running a crystallizer in order to obtain easy-to-handle crystals.

  4. Feasibility of High Energy Lasers for Interdiction Activities

    Science.gov (United States)

    2017-12-01

    NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS FEASIBILITY OF HIGH ENERGY LASERS FOR INTERDICTION ACTIVITIES by Carlos Abel Javier Romero... ENERGY LASERS FOR INTERDICTION ACTIVITIES 5. FUNDING NUMBERS 6. AUTHOR(S) Carlos Abel Javier Romero Chero 7. PERFORMING ORGANIZATION NAME(S) AND...the people or cargo. High Energy Laser (HEL) weapons are an effective way to deliver energy precisely from a relative long range. This thesis studies

  5. Revisiting polarimetry near the isotropic point of an optically active, non-enantiomorphous, molecular crystal.

    Science.gov (United States)

    Martin, Alexander T; Tan, Melissa; Nichols, Shane M; Timothy, Emily; Kahr, Bart

    2018-07-01

    Accurate polarimetric measurements of the optical activity of crystals along low symmetry directions are facilitated by isotropic points, frequencies where dispersion curves of eigenrays cross and the linear birefringence disappears. We report here the optical properties and structure of achiral, uniaxial (point group D 2d ) potassium trihydrogen di-(cis-4-cyclohexene-1,2-dicarboxylate) dihydrate, whose isotropic point was previously detected (S. A. Kim, C. Grieswatch, H. Küppers, Zeit. Krist. 1993; 208:219-222) and exploited for a singular measurement of optical activity normal to the optic axis. The crystal structure associated with the aforementioned study was never published. We report it here, confirming the space group assignment I 4¯c2, along with the frequency dependence of the fundamental optical properties and the constitutive tensors by fitting optical dispersion relations to measured Mueller matrix spectra. k-Space maps of circular birefringence and of the Mueller matrix near the isotropic wavelength are measured and simulated. The signs of optical rotation are correlated with the absolute crystallographic directions. © 2018 Wiley Periodicals, Inc.

  6. Spectroscopic studies, antimicrobial activities and crystal structures of N-(2-hydroxy-3-methoxybenzalidene)1-aminonaphthalene

    Science.gov (United States)

    Ünver, Hüseyin; Yıldız, Mustafa; Dülger, Başaran; Özgen, Özen; Kendi, Engin; Durlu, Tahsin Nuri

    2005-03-01

    Schiff base N-(2-hydroxy-3-methoxybenzalidene)1-aminonaphthalene has been synthesized from the reaction of 2-hydroxy-3-methoxybenzaldehyde with 1-aminonaphthalene. The compound were characterized by elemental analysis, FT-IR, 1H NMR, 13C NMR and UV-visible techniques. The UV-visible spectra of the Schiff base were studied in polar and nonpolar solvents in acidic and basic media. The structure of the compound has been examined cyrstallographically. There are two independent molecules in the asymmetric unit. It crystallizes in the monoclinic space group P21/c, with unit cell parameters: a=14, 602(2), b=5,800(1), c=16, 899(1) Å, V=1394.4(2) Å 3, Dx=1.321 g cm -3 and Z=4. The crystal structure was solved by direct methods and refined by full-matrix least squares to a find R=0.041 of for 1179 observed reflections. The title compound's antimicrobial activities also have been studied. The antimicrobial activities of the ligand has been screened in vitro against the organisms Escherichia coli ATCC 11230, Staphylococcus aureus ATCC 6538, Klebsiella pneumoniae UC57, Micrococcus luteus La 2971, Proteus vulgaris ATCC 8427, Pseudomonas aeruginosa ATCC 27853, Mycobacterium smegmatis CCM 2067, Bacillus cereus ATCC 7064 and Listeria monocytogenes ATCC 15313, the yeast cultures Candida albicans ATCC 10231, Kluyveromyces fragilis NRRL 2415, Rhodotorula rubra DSM 70403, Debaryomyces hansenii DSM 70238 and Hanseniaspora guilliermondii DSM 3432.

  7. Effect of ultraviolet and gamma rays on the activity of delta-endotoxin protein crystals of Bacillus thuringiensis

    International Nuclear Information System (INIS)

    Burges, H.D.; Hillyer, S.; Chanter, D.O.

    1975-01-01

    Sensitive bioassays with larvae of Pieris brassicae revealed no reduction of insecticidal activity as a result of severe gamma or ultraviolet irradiation of crystals of Bacillus thuringiensis (serotype V). The measured response was the inhibition of larval feeding by the crystals over exposure periods short enough for the presence of live spores not to influence feeding. The results were analyzed using a logistic model. (U.S.)

  8. Microwave assistant synthesis, crystal structure and biological activity of a 1,2,4-triazole compound

    International Nuclear Information System (INIS)

    Ke, W.; Sun, N.B.

    2013-01-01

    The title compound (C/sub 17/H/sub 14/F/sub 2/N/sub 4/SO) were synthesized and recrystallized from CH/sub 3/CN. The compound was characterized by 1h-nmr, ftir, ms, hrms and x-ray diffraction. the compound crystallized in the monoclinic space group c2/c with a = 27.532(6), b 8.9596(18), c 14.609(3) alpha = 90, beta = 112.59(3), lambda =90 degree, gamma = 3327.1(12) alpha 3, z = 8 and r = 0.0327 for 2596 observed reflections with 1 > 2 (i). x-ray analysis reveals that not only intermolecular N-H-N interactions, but also C-H Pie stacking interactions exist in the adjacent molecules. The biological activities results showed that it exhibited significant herbicidal activity towards brassica napus. (author)

  9. Cholesterol Crystals Activate the Lectin Complement Pathway via Ficolin-2 and Mannose-Binding Lectin

    DEFF Research Database (Denmark)

    Pilely, Katrine; Rosbjerg, Anne; Genster, Ninette

    2016-01-01

    Cholesterol crystals (CC) play an essential role in the formation of atherosclerotic plaques. CC activate the classical and the alternative complement pathways, but the role of the lectin pathway is unknown. We hypothesized that the pattern recognition molecules (PRMs) from the lectin pathway bind...... CC and function as an upstream innate inflammatory signal in the pathophysiology of atherosclerosis. We investigated the binding of the PRMs mannose-binding lectin (MBL), ficolin-1, ficolin-2, and ficolin-3, the associated serine proteases, and complement activation products to CC in vitro using...... recognize CC and provides evidence for an important role for this pathway in the inflammatory response induced by CC in the pathophysiology of atherosclerosis....

  10. Impact of slow-light enhancement on optical propagation in active semiconductor photonic crystal waveguides

    DEFF Research Database (Denmark)

    Chen, Yaohui; de Lasson, Jakob Rosenkrantz; Gregersen, Niels

    2015-01-01

    We derive and validate a set of coupled Bloch wave equations for analyzing the reflection and transmission properties of active semiconductor photonic crystal waveguides. In such devices, slow-light propagation can be used to enhance the material gain per unit length, enabling, for example......, the realization of short optical amplifiers compatible with photonic integration. The coupled wave analysis is compared to numerical approaches based on the Fourier modal method and a frequency domain finite element technique. The presence of material gain leads to the build-up of a backscattered field, which...... is interpreted as distributed feedback effects or reflection at passive-active interfaces, depending on the approach taken. For very large material gain values, the band structure of the waveguide is perturbed, and deviations from the simple coupled Bloch wave model are found....

  11. Commission for energy regulation - 2012 Activity Report

    International Nuclear Information System (INIS)

    2013-06-01

    After a presentation of the organisation, role and missions of the French Commission for Energy Regulation (CRE), and of its relationship with other institutional actors, this report describes and comments the action of the CRE in the fields of dialogue and transparency. It presents and comments key figures regarding the electricity and gas retail markets. It reports and comments the European reaction to the cold peak of February 2012 (historical peak for consumption and prices, inquiry on the causes of these price peaks, need of a European market). The next part addresses the relationship between electricity grids and territories (solidarity between electricity grids as the basis of the Europe of energy, evolution of French grids to face new needs and to take regional and local dimensions into account). Another part addresses gas infrastructures which are considered as the cornerstone of a good operation for the French market and for the integration of the European energy market (gas world market in 2012, definition of a target model for the gas market by European regulators, evolution of the French market in compliance with the European target model, new tariffs for the use of natural gas transport networks). The report then addresses the development of renewable energies: actions of CRE (bidding, opinion of tariffs), influence of renewable energy development on electricity prices on gross markets, needed evolution of electricity grids. A last part addresses the issues of energy cost, demand management, and struggle against energy poverty

  12. Measurement of the energy distribution of parametric X-ray radiation from a double-crystal system

    International Nuclear Information System (INIS)

    Mori, Akira; Hayakawa, Yasushi; Kidokoro, Akio; Sato, Isamu; Tanaka, Toshinari; Hayakawa, Ken; Kobayashi, Kouji; Ohshima, Hisashi

    2006-01-01

    A parametric X-ray radiation (PXR) generator system was developed at the Laboratory for Electron Beam Research and Applications (LEBRA) at Nihon University; this PXR generator system is a tunable wavelength and quasi-monochromatic X-ray source constructed as one of the advanced applications of the LEBRA 125-MeV electron linear accelerator. The PXR beam which has characteristic of energy distribution. The theoretical values of energy distribution obtained at the output port were calculated to be approximately 300 eV and 2 keV at the central X-ray energies of 7 keV and 20 keV, respectively. In order to investigate the energy distribution, several measurements of the X-ray energy were carried out. The X-ray absorption of known materials and that of thin aluminum has been evaluated based on analyses of images taken using an imaging plate. The X-ray energy was deduced base on the identification of the absorption edges, and the energy distribution was estimated based on measurements using aluminum step method. In addition, an X-ray diffraction method using a perfect silicon crystal was employed, and spectra were measured using a solid state detector (SSD). The results of these experiments agreed with the calculated results. In particular, the well-defined absorption edges in the X-ray images and the typical rocking curves obtained by the measurement of the X-ray diffraction indicated that the distribution has a high-energy resolution

  13. A reduced energy supply strategy in active vibration control

    Science.gov (United States)

    Ichchou, M. N.; Loukil, T.; Bareille, O.; Chamberland, G.; Qiu, J.

    2011-12-01

    In this paper, a control strategy is presented and numerically tested. This strategy aims to achieve the potential performance of fully active systems with a reduced energy supply. These energy needs are expected to be comparable to the power demands of semi-active systems, while system performance is intended to be comparable to that of a fully active configuration. The underlying strategy is called 'global semi-active control'. This control approach results from an energy investigation based on management of the optimal control process. Energy management encompasses storage and convenient restitution. The proposed strategy monitors a given active law without any external energy supply by considering purely dissipative and energy-demanding phases. Such a control law is offered here along with an analysis of its properties. A suboptimal form, well adapted for practical implementation steps, is also given. Moreover, a number of numerical experiments are proposed in order to validate test findings.

  14. A reduced energy supply strategy in active vibration control

    International Nuclear Information System (INIS)

    Ichchou, M N; Loukil, T; Bareille, O; Chamberland, G; Qiu, J

    2011-01-01

    In this paper, a control strategy is presented and numerically tested. This strategy aims to achieve the potential performance of fully active systems with a reduced energy supply. These energy needs are expected to be comparable to the power demands of semi-active systems, while system performance is intended to be comparable to that of a fully active configuration. The underlying strategy is called 'global semi-active control'. This control approach results from an energy investigation based on management of the optimal control process. Energy management encompasses storage and convenient restitution. The proposed strategy monitors a given active law without any external energy supply by considering purely dissipative and energy-demanding phases. Such a control law is offered here along with an analysis of its properties. A suboptimal form, well adapted for practical implementation steps, is also given. Moreover, a number of numerical experiments are proposed in order to validate test findings

  15. Energy management for the future. A sourcebook of ideas and activities for energy conservation learning programs

    Energy Technology Data Exchange (ETDEWEB)

    1980-01-01

    This book serves as a teaching aid for Canadian school programs in energy conservation and energy management. Suitable curriculum areas and objectives are outlined, and suggestions are presented for organizing thematic study units. References are made throughout to appropriate use of additional media such as filmstrips. Five study units, each with its own classroom activities, are detailed: energy resources, energy and the home, energy and food, energy and leisure, and energy in transportation. Suggestions are given for ongoing energy management educational programs to be tried out once the study units have been completed. 23 figs.

  16. Energy resolution measurements of LaBr3:Ce scintillating crystals with an ultra-high quantum efficiency photomultiplier tube

    International Nuclear Information System (INIS)

    Pani, R.; Cinti, M.N.; Scafe, R.; Pellegrini, R.; Vittorini, F.; Bennati, P.; Ridolfi, S.; Lo Meo, S.; Mattioli, M.; Baldazzi, G.; Pisacane, F.; Navarria, F.; Moschini, G.; Boccaccio, P.; Orsolini Cencelli, V.; Sacco, D.

    2009-01-01

    The performance of the new prototype of high quantum efficiency PMT (43% at 380 nm), Hamamatsu R7600U-200, was studied coupled to a LaBr 3 :Ce crystal with the size of o12.5 mmx12.5 mm. The energy resolution results were compared with ones from two PMTs, Hamamatsu R7600U and R6231MOD, with 22% and 30% quantum efficiency (QE), respectively. Moreover, the photodetectors were equipped with tapered and un-tapered voltage dividers to study the non-linearity effects on pulse height distribution, due to very high peak currents induced in the PMT by the fast and intense light pulse of LaBr 3 :Ce. The results show an energy resolution improvement with UBA PMT of about 20%, in the energy range of 80-662 keV, with respect to the BA one.

  17. Influences of Silver-Doping on the Crystal Structure, Morphology and Photocatalytic Activity of TiO2 Nanofibers

    DEFF Research Database (Denmark)

    Barakat, Nasser A. M.; Kanjwal, Muzafar Ahmed; Al-Deyab, Salem S.

    2011-01-01

    Doping of titanium dioxide nanofibers by silver nanoparticles revealed distinct improvement in the photocatalytic activ-ity; however other influences have not been investigated. In this work, effect of sliver-doping on the crystal structure, the nanofibrous morphology as well as the photocatalyti...

  18. Spherical crystallization: A technique use to reform solubility and flow property of active pharmaceutical ingredients.

    Science.gov (United States)

    Chatterjee, Arindam; Gupta, Madan Mohan; Srivastava, Birendra

    2017-01-01

    Tablets have been choice of manufacturers over the years due to their comparatively low cost of manufacturing, packaging, shipping, and ease of administration; also have better stability and can be considered virtually tamper proof. A major challenge in formulation development of the tablets extends from lower solubility of the active agent to the elaborated manufacturing procedures for obtaining a compressible granular material. Moreover, the validation and documentation increases, as the numbers of steps increases for an industrially acceptable granulation process. Spherical crystallization (SC) is a promising technique, which encompass the crystallization, agglomeration, and spheronization phenomenon in a single step. Initially, two methods, spherical agglomeration, and emulsion solvent diffusion, were suggested to get a desired result. Later on, the introduction of modified methods such as crystallo-co-agglomeration, ammonia diffusion system, and neutralization techniques overcame the limitations of the older techniques. Under controlled conditions such as solvent composition, mixing rate and temperature, spherical dense agglomerates cluster from particles. Application of the SC technique includes production of compacted spherical particles of drug having improved uniformity in shape and size of particles, good bulk density, better flow properties as well as better solubility so SC when used on commercial scale will bring down the production costs of pharmaceutical tablet and will increase revenue for the pharmaceutical industries in the competitive market. This review summarizes the technologies available for SC and also suggests the parameters for evaluation of a viable product.

  19. Cellular Links between Neuronal Activity and Energy Homeostasis

    OpenAIRE

    Shetty, Pavan K.; Galeffi, Francesca; Turner, Dennis A.

    2012-01-01

    Neuronal activity, astrocytic responses to this activity, and energy homeostasis are linked together during baseline, conscious conditions, and short-term rapid activation (as occurs with sensory or motor function). Nervous system energy homeostasis also varies during long-term physiological conditions (i.e., development and aging) and with adaptation to pathological conditions, such as ischemia or low glucose. Neuronal activation requires increased metabolism (i.e., ATP generation) which lea...

  20. Crystallization and preliminary crystallographic studies of an active-site mutant hydantoin racemase from Sinorhizobium meliloti CECT4114

    International Nuclear Information System (INIS)

    Martínez-Rodríguez, Sergio; González-Ramírez, Luis Antonio; Clemente-Jiménez, Josefa María; Rodríguez-Vico, Felipe; Las Heras-Vázquez, Francisco Javier; Gavira, Jose Antonio; García-Ruiz, Juan Ma.

    2007-01-01

    Crystals of an active-site mutated hydantoin racemase from S. meliloti have been obtained in the presence and absence of d,l-5-isopropyl-hydantoin and characterized by X-ray diffraction. A recombinant active-site mutant of hydantoin racemase (C76A) from Sinorhizobium meliloti CECT 4114 (SmeHyuA) has been crystallized in the presence and absence of the substrate d,l-5-isopropyl hydantoin. Crystals of the SmeHyuA mutant suitable for data collection and structure determination were grown using the counter-diffusion method. X-ray data were collected to resolutions of 2.17 and 1.85 Å for the free and bound enzymes, respectively. Both crystals belong to space group R3 and contain two molecules of SmeHyuA per asymmetric unit. The crystals of the free and complexed SmeHyuA have unit-cell parameters a = b = 85.43, c = 152.37 Å and a = b = 85.69, c = 154.38 Å, crystal volumes per protein weight (V M ) of 1.94 and 1.98 Å 3 Da −1 and solvent contents of 36.7 and 37.9%, respectively

  1. REVIEW: Optics of globular photonic crystals

    Science.gov (United States)

    Gorelik, V. S.

    2007-05-01

    The results of experimental and theoretical studies of the optical properties of globular photonic crystals - new physical objects having a crystal structure with the lattice period exceeding considerably the atomic size, are presented. As globular photonic crystals, artificial opal matrices consisting of close-packed silica globules of diameter ~200 nm were used. The reflection spectra of these objects characterising the parameters of photonic bands existing in these crystals in the visible spectral region are presented. The idealised models of the energy band structure of photonic crystals investigated in the review give analytic dispersion dependences for the group velocity and the effective photon mass in a globular photonic crystal. The characteristics of secondary emission excited in globular photonic crystals by monochromatic and broadband radiation are presented. The results of investigations of single-photon-excited delayed scattering of light observed in globular photonic crystals exposed to cw UV radiation and radiation from a repetitively pulsed copper vapour laser are presented. The possibilities of using globular photonic crystals as active media for lasing in different spectral regions are considered. It is proposed to use globular photonic crystals as sensitive sensors in optoelectronic devices for molecular analysis of organic and inorganic materials by the modern methods of laser spectroscopy. The results of experimental studies of spontaneous and stimulated globular scattering of light are discussed. The conditions for observing resonance and two-photon-excited delayed scattering of light are found. The possibility of accumulation and localisation of the laser radiation energy inside a globular photonic crystal is reported.

  2. A compilation of energy costs of physical activities.

    Science.gov (United States)

    Vaz, Mario; Karaolis, Nadine; Draper, Alizon; Shetty, Prakash

    2005-10-01

    There were two objectives: first, to review the existing data on energy costs of specified activities in the light of the recommendations made by the Joint Food and Agriculture Organization/World Health Organization/United Nations University (FAO/WHO/UNU) Expert Consultation of 1985. Second, to compile existing data on the energy costs of physical activities for an updated annexure of the current Expert Consultation on Energy and Protein Requirements. Electronic and manual search of the literature (predominantly English) to obtain published data on the energy costs of physical activities. The majority of the data prior to 1955 were obtained using an earlier compilation of Passmore and Durnin. Energy costs were expressed as physical activity ratio (PAR); the energy cost of the activity divided by either the measured or predicted basal metabolic rate (BMR). The compilation provides PARs for an expanded range of activities that include general personal activities, transport, domestic chores, occupational activities, sports and other recreational activities for men and women, separately, where available. The present compilation is largely in agreement with the 1985 compilation, for activities that are common to both compilations. The present compilation has been based on the need to provide data on adults for a wide spectrum of human activity. There are, however, lacunae in the available data for many activities, between genders, across age groups and in various physiological states.

  3. Near equilibrium dynamics and one-dimensional spatial—temporal structures of polar active liquid crystals

    International Nuclear Information System (INIS)

    Yang Xiao-Gang; Wang Qi; Forest, M. Gregory

    2014-01-01

    We systematically explore near equilibrium, flow-driven, and flow-activity coupled dynamics of polar active liquid crystals using a continuum model. Firstly, we re-derive the hydrodynamic model to ensure the thermodynamic laws are obeyed and elastic stresses and forces are consistently accounted. We then carry out a linear stability analysis about constant steady states to study near equilibrium dynamics around the steady states, revealing long-wave instability inherent in this model system and how active parameters in the model affect the instability. We then study model predictions for one-dimensional (1D) spatial—temporal structures of active liquid crystals in a channel subject to physical boundary conditions. We discuss the model prediction in two selected regimes, one is the viscous stress dominated regime, also known as the flow-driven regime, while the other is the full regime, in which all active mechanisms are included. In the viscous stress dominated regime, the polarity vector is driven by the prescribed flow field. Dynamics depend sensitively on the physical boundary condition and the type of the driven flow field. Bulk-dominated temporal periodic states and spatially homogeneous states are possible under weak anchoring conditions while spatially inhomogeneous states exist under strong anchoring conditions. In the full model, flow-orientation interaction generates a host of planar as well as out-of-plane spatial—temporal structures related to the spontaneous flows due to the molecular self-propelled motion. These results provide contact with the recent literature on active nematic suspensions. In addition, symmetry breaking patterns emerge as the additional active viscous stress due to the polarity vector is included in the force balance. The inertia effect is found to limit the long-time survival of spatial structures to those with small wave numbers, i.e., an asymptotic coarsening to long wave structures. A rich set of mechanisms for generating

  4. Optics of globular photonic crystals

    International Nuclear Information System (INIS)

    Gorelik, V S

    2007-01-01

    The results of experimental and theoretical studies of the optical properties of globular photonic crystals - new physical objects having a crystal structure with the lattice period exceeding considerably the atomic size, are presented. As globular photonic crystals, artificial opal matrices consisting of close-packed silica globules of diameter ∼200 nm were used. The reflection spectra of these objects characterising the parameters of photonic bands existing in these crystals in the visible spectral region are presented. The idealised models of the energy band structure of photonic crystals investigated in the review give analytic dispersion dependences for the group velocity and the effective photon mass in a globular photonic crystal. The characteristics of secondary emission excited in globular photonic crystals by monochromatic and broadband radiation are presented. The results of investigations of single-photon-excited delayed scattering of light observed in globular photonic crystals exposed to cw UV radiation and radiation from a repetitively pulsed copper vapour laser are presented. The possibilities of using globular photonic crystals as active media for lasing in different spectral regions are considered. It is proposed to use globular photonic crystals as sensitive sensors in optoelectronic devices for molecular analysis of organic and inorganic materials by the modern methods of laser spectroscopy. The results of experimental studies of spontaneous and stimulated globular scattering of light are discussed. The conditions for observing resonance and two-photon-excited delayed scattering of light are found. The possibility of accumulation and localisation of the laser radiation energy inside a globular photonic crystal is reported. (review)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-05-01

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

  6. Crystallization and preliminary X-ray analysis of the ATPase domain of the σ(54)-dependent transcription activator NtrC1 from Aquifex aeolicus bound to the ATP analog ADP-BeFx.

    Science.gov (United States)

    Sysoeva, Tatyana A; Yennawar, Neela; Allaire, Marc; Nixon, B Tracy

    2013-12-01

    One way that bacteria regulate the transcription of specific genes to adapt to environmental challenges is to use different σ factors that direct the RNA polymerase holoenzyme to distinct promoters. Unlike σ(70) RNA polymerase (RNAP), σ(54) RNAP is unable to initiate transcription without an activator: enhancer-binding protein (EBP). All EBPs contain one ATPase domain that belongs to the family of ATPases associated with various cellular activities (AAA+ ATPases). AAA+ ATPases use the energy of ATP hydrolysis to remodel different target macromolecules to perform distinct functions. These mechanochemical enzymes are known to form ring-shaped oligomers whose conformations strongly depend upon nucleotide status. Here, the crystallization of the AAA+ ATPase domain of an EBP from Aquifex aeolicus, NtrC1, in the presence of the non-hydrolyzable ATP analog ADP-BeFx is reported. X-ray diffraction data were collected from two crystals from two different protein fractions of the NtrC1 ATPase domain. Previously, this domain was co-crystallized with ADP and ATP, but the latter crystals were grown from the Walker B substitution variant E239A. Therefore, the new data sets are the first for a wild-type EBP ATPase domain co-crystallized with an ATP analog and they reveal a new crystal form. The resulting structure(s) will shed light on the mechanism of EBP-type transcription activators.

  7. Search for and selection of novel heavy scintillator crystals for calorimeter design for future high-energy colliders

    International Nuclear Information System (INIS)

    Ferrere, D.

    1993-01-01

    The discovery of some particles (Higgs, top,..) foreseen by theoretical models should be achieved at future colliders allowing to reach an energy scale of about 1 TeV. Efficient detectors must be designed to handle the very high luminosity of the LHC collider at CERN. In the intermediate mass region, M Z -2M Z , the diphoton decay mode of a Higgs boson produced inclusively or in association with W boson or a toponium gives good chance of observation. A very high resolution calorimeter with photon angle reconstruction and pion identification capability should detect a Higgs signal with high probability. So a homogeneous crystal calorimeter seems to be suitable. Because of the high luminosity and the high radiation level, a search for a new heavy scintillator has been undertaken. It must have a good radiation hardness (>0.5 MRad in a year) and a fast luminescence decay time (<30 ns). Among 50 crystals or glasses of specific chemical composition tested in transmission, luminescence, decay time, γ/neutrons radiation and light yield, cerium fluoride seems best suited for LHC. The necessity to have a good photon resolution in the intermediate Higgs mass region led us to optimise by Monte Carlo simulations the geometry of the calorimeter, the uniformisation of the light collection and crystal intercalibration parameters. (orig.)

  8. Efficient Fluorescence Resonance Energy Transfer between Quantum Dots and Gold Nanoparticles Based on Porous Silicon Photonic Crystal for DNA Detection.

    Science.gov (United States)

    Zhang, Hongyan; Lv, Jie; Jia, Zhenhong

    2017-05-10

    A novel assembled biosensor was prepared for detecting 16S rRNA, a small-size persistent specific for Actinobacteria. The mechanism of the porous silicon (PS) photonic crystal biosensor is based on the fluorescence resonance energy transfer (FRET) between quantum dots (QDs) and gold nanoparticles (AuNPs) through DNA hybridization, where QDs act as an emission donor and AuNPs serve as a fluorescence quencher. Results showed that the photoluminescence (PL) intensity of PS photonic crystal was drastically increased when the QDs-conjugated probe DNA was adhered to the PS layer by surface modification using a standard cross-link chemistry method. The PL intensity of QDs was decreased when the addition of AuNPs-conjugated complementary 16S rRNA was dropped onto QDs-conjugated PS. Based on the analysis of different target DNA concentration, it was found that the decrease of the PL intensity showed a good linear relationship with complementary DNA concentration in a range from 0.25 to 10 μM, and the detection limit was 328.7 nM. Such an optical FRET biosensor functions on PS-based photonic crystal for DNA detection that differs from the traditional FRET, which is used only in liquid. This method will benefit the development of a new optical FRET label-free biosensor on Si substrate and has great potential in biochips based on integrated optical devices.

  9. Biomass I. Science Activities in Energy [and] Teacher's Guide.

    Science.gov (United States)

    Oak Ridge Associated Universities, TN.

    Designed for science students in fourth, fifth, and sixth grades, the activities in this unit illustrate principles and problems related to biomass as a form of energy. (The word biomass is used to describe all solid material of animal or vegetable origin from which energy may be extracted.) Twelve student activities using art, economics,…

  10. 78 FR 64414 - Assistance to Foreign Atomic Energy Activities

    Science.gov (United States)

    2013-10-29

    ... nonproliferation norms, and to update the activities and technologies subject to the Secretary of Energy's specific... consistent with current global civil nuclear trade practices and nonproliferation norms, and to update the activities and technologies subject to the Secretary of Energy's specific authorization and DOE reporting...

  11. Selected Energy Education Activities for Pennsylvania Middle School Grades. Draft.

    Science.gov (United States)

    Hack, Nancy; And Others

    These activities are intended to help increase awareness and understanding of the energy situation and to encourage students to become energy conservationists. The document is divided into sections according to discipline area. A final section is devoted to interdisciplinary activities involving several discipline areas integrated with the energy…

  12. Effect of ultrasonic specific energy on waste activated sludge ...

    African Journals Online (AJOL)

    The effect of ultrasonic specific energy on waste activated sludge (WAS) solubilization and enzyme activity was investigated in this study. Experimental results showed that the increase of ultrasonic specific energy in the range of 0 - 90000 kJ/kg dried sludge (DS) benefited WAS particle size reduction and the solubilization ...

  13. Activities in nuclear and high energy physics

    Energy Technology Data Exchange (ETDEWEB)

    1983-01-01

    High energy and nuclear physics research concerning bubble chamber investigations, European hybrid system ACCMOR, WA 18, PETRA, PEP, VA 4, SING, LENA, LEP 3 and DELPHI experiments is summarized. Experiments with electron beams, and in pions and muons physics, and radiochemistry are reported on.

  14. Structural, photoconductive, thermoelectric and activation energy ...

    Indian Academy of Sciences (India)

    2016-07-21

    Jul 21, 2016 ... This report investigated the structural, optical and electrical properties of V-doped SnO2 thin films deposited using spray .... SnO2 films were deposited on rotating hot substrates under the ... cal band gap energy (Eg) for V-doped SnO2 thin films ..... by Sn4+, resulting in the generation of free electron,.

  15. International Atomic Energy Agency: activities in Malaysia

    Energy Technology Data Exchange (ETDEWEB)

    Hayati, Ainul [Nuclear Energy Unit, Bangi, Selangor (Malaysia)

    1994-12-31

    The two main IAEA activities participated by Malaysia - technical cooperation programme (TC) and regional cooperative agreement programme (RCA/IAEA AND IAEA/RCA/UNDP). This article highlighted some of the IAEA technical cooperation activities in Malaysia (i.e. Medicine, Agriculture, Industry, Strategic, Social Science), assistance, funding and contribution made by Malaysia to the IAEA since 1989.

  16. International Atomic Energy Agency: activities in Malaysia

    International Nuclear Information System (INIS)

    Ainul Hayati

    1994-01-01

    The two main IAEA activities participated by Malaysia - technical cooperation programme (TC) and regional cooperative agreement programme (RCA/IAEA AND IAEA/RCA/UNDP). This article highlighted some of the IAEA technical cooperation activities in Malaysia (i.e. Medicine, Agriculture, Industry, Strategic, Social Science), assistance, funding and contribution made by Malaysia to the IAEA since 1989

  17. International program activities in magnetic fusion energy

    International Nuclear Information System (INIS)

    1986-03-01

    The following areas of our international activities in magnetic fusion are briefly described: (1) policy; (2) background; (3) strategy; (4) strategic considerations and concerns; (5) domestic program inplications, and (6) implementation. The current US activities are reviewed. Some of our present program needs are outlined

  18. Solar Energy Education. Home economics: student activities. Field test edition

    Energy Technology Data Exchange (ETDEWEB)

    1981-03-01

    A view of solar energy from the standpoint of home economics is taken in this book of activities. Students are provided information on solar energy resources while performing these classroom activities. Instructions for the construction of a solar food dryer and a solar cooker are provided. Topics for study include window treatments, clothing, the history of solar energy, vitamins from the sun, and how to choose the correct solar home. (BCS)

  19. Soot Aerosol Particles as Cloud Condensation Nuclei: from Ice Nucleation Activity to Ice Crystal Morphology

    Science.gov (United States)

    Pirim, Claire; Ikhenazene, Raouf; Ortega, Isamel Kenneth; Carpentier, Yvain; Focsa, Cristian; Chazallon, Bertrand; Ouf, François-Xavier

    2016-04-01

    Emissions of solid-state particles (soot) from engine exhausts due to incomplete fuel combustion is considered to influence ice and liquid water cloud droplet activation [1]. The activity of these aerosols would originate from their ability to be important centers of ice-particle nucleation, as they would promote ice formation above water homogeneous freezing point. Soot particles are reported to be generally worse ice nuclei than mineral dust because they activate nucleation at higher ice-supersaturations for deposition nucleation and at lower temperatures for immersion freezing than ratios usually expected for homogeneous nucleation [2]. In fact, there are still numerous opened questions as to whether and how soot's physico-chemical properties (structure, morphology and chemical composition) can influence their nucleation ability. Therefore, systematic investigations of soot aerosol nucleation activity via one specific nucleation mode, here deposition nucleation, combined with thorough structural and compositional analyzes are needed in order to establish any association between the particles' activity and their physico-chemical properties. In addition, since the morphology of the ice crystals can influence their radiative properties [3], we investigated their morphology as they grow over both soot and pristine substrates at different temperatures and humidity ratios. In the present work, Combustion Aerosol STandart soot samples were produced from propane using various experimental conditions. Their nucleation activity was studied in deposition mode (from water vapor), and monitored using a temperature-controlled reactor in which the sample's relative humidity is precisely measured with a cryo-hygrometer. Formation of water/ice onto the particles is followed both optically and spectroscopically, using a microscope coupled to a Raman spectrometer. Vibrational signatures of hydroxyls (O-H) emerge when the particle becomes hydrated and are used to characterize ice

  20. Solar energy activities in the Arab countries

    International Nuclear Information System (INIS)

    Sayigh, A.A.M.

    1991-01-01

    The Arab countries, 22 in total, are divided into three groups. Group one consists of all countries of the Middle East. The second group is the Arabian Peninsula, and the third group consists of all Arab countries in Africa. The paper outlines the solar density and sunshine hours, as well as wind data in the region and compares them with some industrialized countries. Brief surveys of various solar energy projects are tabulated: that is solar, wind and biomass. Several specific major projects in various parts of the Arab World will be discussed. More specifically, the cooling of the solar energy research building in Baghdad (120 tons of solar absorption chillers, 80 tons of heat pumps), the heating of King Abdu-Asis Airborne and Physical Training School near Tabuk, Saudi Arabia, the 350 kW PV. field of the solar energy village near Riyadh and the 100 kW solar thermal plant in Kuwait are discussed. It is worth noting that the present photovoltaic capacity in the Arab world is more than 3.0 MW and the yearly installation potential per year is 2.0 MW. There are at least five photovoltaic production facilities in the Arab countries. Two of them in Saudi Arabia with capacity of 400 kW, one in Iraq with a capacity of 200 kW, one in Tunisia with a capacity of 100 kW and on in Algeria with capacity of 100 kW. The Arab countries can absorb 5MW per year and more countries like Egypt, Sudan, Morocco, Jordan and Libya are thinking of having their own production capabilities. Five desalination plants are also mentioned, plus the Yanbu plant of 240m/day, which is one of the largest in the world. The potential of wind energy utilisation is considered. Obstacles hindering the process of solar energy in the region are also outlined. (author). 11 refs, 1 fig., 4 tabs

  1. Trace impurities analysis determined by neutron activation in the PbI 2 crystal semiconductor

    Science.gov (United States)

    Hamada, M. M.; Oliveira, I. B.; Armelin, M. J.; Mesquita, C. H.

    2003-06-01

    In this work, a methodology for impurity analysis of PbI 2 was studied to investigate the effectiveness of the purification. Commercial salts were purified by the multi passes zone refining and grown by the Bridgman method. To evaluate the purification efficiency, samples from the bottom, middle and upper sections of the ZR ingot were analyzed after 200, 300 and 500 purification passes, by measurements of the impurity concentrations, using the neutron activation analysis (NAA) technique. There was a significant reduction of the impurities according to the purification numbers. The reduction efficiency was different for each element, namely: Au>Mn>Co˜Ag>K˜Br. The impurity concentration of the crystals grown after 200, 300 and 500 passes and the PbI 2 starting material were analyzed by NAA and plasma optical emission spectroscopy.

  2. 2.2.2. Synthesis, crystal structure and biological activity of triphenyltin 4-acetylphenolate

    Directory of Open Access Journals (Sweden)

    Zhikun Liua, Yunsai Donga, Xiaoliang Zhengb, You Yua, Laijin Tiana,*

    2015-03-01

    Full Text Available Abs t ract : Tr i ph en yl t in 4-a cet yl ph en ol at e, 4- CH3COC6H4OSnPh3 (1, has been synthesized and characterized by elemental analysis, IR, NMR (1H, 13C and 119Sn spectra, and X-ray single crystal diffraction. Compound  1 possesses a trans-C3SnO2 trigonal bipyramidal geometry with the axial positions occupied by the phenolate oxygen and carbonyl oxygen of an adjacent molecule and form an one-dimensional infinite chain. Bioassay results have shown that the compound has good in vitro anti-bacterial and anti-tumor activities. Supporting information: X-Ray (CIF file

  3. Facile synthesis of pristine graphene-palladium nanocomposites with extraordinary catalytic activities using swollen liquid crystals

    Science.gov (United States)

    Vats, T.; Dutt, S.; Kumar, R.; Siril, P. F.

    2016-09-01

    Amazing conductivity, perfect honeycomb sp2 arrangement and the high theoretical surface area make pristine graphene as one of the best materials suited for application as catalyst supports. Unfortunately, the low reactivity of the material makes the formation of nanocomposite with inorganic materials difficult. Here we report an easy approach to synthesize nanocomposites of pristine graphene with palladium (Pd-G) using swollen liquid crystals (SLCs) as a soft template. The SLC template gives the control to deposit very small Pd particles of uniform size on G as well as RGO. The synthesized nanocomposite (Pd-G) exhibited exceptionally better catalytic activity compared with Pd-RGO nanocomposite in the hydrogenation of nitrophenols and microwave assisted C-C coupling reactions. The catalytic activity of Pd-G nanocomposite during nitrophenol reduction reaction was sixteen times higher than Pd nanoparticles and more than double than Pd-RGO nanocomposite. The exceptionally high activity of pristine graphene supported catalysts in the organic reactions is explained on the basis of its better pi interacting property compared to partially reduced RGO. The Pd-G nanocomposite showed exceptional stability under the reaction conditions as it could be recycled upto a minimum of 15 cycles for the C-C coupling reactions without any loss in activity.

  4. Microscopic origins of anisotropic active stress in motor-driven nematic liquid crystals.

    Science.gov (United States)

    Blackwell, Robert; Sweezy-Schindler, Oliver; Baldwin, Christopher; Hough, Loren E; Glaser, Matthew A; Betterton, M D

    2016-03-14

    The cytoskeleton, despite comprising relatively few building blocks, drives an impressive variety of cellular phenomena ranging from cell division to motility. These building blocks include filaments, motor proteins, and static crosslinkers. Outside of cells, these same components can form novel materials exhibiting active flows and nonequilibrium contraction or extension. While dipolar extensile or contractile active stresses are common in nematic motor-filament systems, their microscopic origin remains unclear. Here we study a minimal physical model of filaments, crosslinking motors, and static crosslinkers to dissect the microscopic mechanisms of stress generation in a two-dimensional system of orientationally aligned rods. We demonstrate the essential role of filament steric interactions which have not previously been considered to significantly contribute to active stresses. With this insight, we are able to tune contractile or extensile behavior through the control of motor-driven filament sliding and crosslinking. This work provides a roadmap for engineering stresses in active liquid crystals. The mechanisms we study may help explain why flowing nematic motor-filament mixtures are extensile while gelled systems are contractile.

  5. Intercalibration of ECAL crystals in Phi Using Symmetry of Energy Deposition

    CERN Document Server

    Futyan, David

    2002-01-01

    This note describes the investigation of a possible first step in a strategy for rapidly obtaining ECAL crystal intercalibration at startup in the absence of test beam precalibration of the complete detector. The precision to which crystals can be intercalibrated in phi using 18 million fully simulated minimum-bias events, and assuming complete ignorance of the tracker material distribution, is determined as a function of eta and has been found to be close to 1.5% for |eta| < 1.0 and between 2% and 3.5% for the remainder of the barrel. Similar values are found for the endcap. The precision is limited by the inhomogeneity of tracker material. With increasing knowledge of the material deposition in the tracker, after the start of LHC running, the attainable precision of the method will increase, with the potential of providing rapid and repeated calibration of the ECAL.

  6. Research for the energy turnaround. Phase transitions actively shape. Contributions

    International Nuclear Information System (INIS)

    Szczepanski, Petra; Wunschick, Franziska; Martin, Niklas

    2015-01-01

    The Annual Conference 2014 of the Renewable Energy Research Association was held in Berlin on 6 and 7 November 2014. This book documents the contributions of the conference on research for the energy turnaround, phase transitions actively shape. After an introduction and two contributions to the political framework, the contributions to the economic phases of the energy transition, the phase of the current turn, the phases of social energy revolution, the stages of heat turnaround (Waermewende), and the stages of the mobility turn deal with the stages of development of the energy system. Finally, the Research Association Renewable Energy is briefly presented. [de

  7. Nonisothermal nematic liquid crystal flows with the Ball-Majumdar free energy

    Czech Academy of Sciences Publication Activity Database

    Feireisl, Eduard; Schimperna, G.; Rocca, E.; Zarnescu, A.

    2015-01-01

    Roč. 194, č. 5 (2015), s. 1269-1299 ISSN 0373-3114 EU Projects: European Commission(XE) 320078 - MATHEF Institutional support: RVO:67985840 Keywords : nematic liquid crystal * Ball-Majumdar free theory * nonisothermal model * existence theorem Subject RIV: BA - General Mathematics Impact factor: 0.861, year: 2015 http://link.springer.com/article/10.1007%2Fs10231-014-0419-1

  8. Impact-parameter dependence of energy loss for 625-keV H+ ions in Si single crystals

    International Nuclear Information System (INIS)

    Dygo, A.; Boshart, M.A.; Seiberling, L.E.; Kabachnik, N.M.

    1994-01-01

    The energy distributions for 625-keV H + ions transmitted through thin Si single crystals are studied for detailed angular scans through the left-angle 110 right-angle and left-angle 100 right-angle axial as well as the {111} and {110} planar channels. Well-resolved structures in the distributions taken near the left-angle 110 right-angle axial direction are observed. The experimental energy-loss distributions are very well reproduced by a Monte Carlo simulation using the semiclassical approximation model for core electrons and the two-component free-electron-gas model for valence electrons. The best fit to the data is obtained if the model energy losses are scaled up for core electrons and down for valence electrons by several percent. The experimental distributions can also be reproduced by assuming the mean excitation energy for distant collisions of the ion with core electrons equal to 1.4 times the binding energy for a given shell. No significant differences between the distributions obtained using the solid-state and free-atom valence electron densities have been found. The evolution of the distributions for the left-angle 110 right-angle axial scan is discussed in terms of ion trajectories and the flux distribution. Also, the azimuthally averaged mean energy loss is studied as a function of tilt angle with respect to the left-angle 110 right-angle axis

  9. Energy resolution of the CdTe-XPAD detector:calibration and potential for Laue diffractionmeasurements on protein crystals

    Energy Technology Data Exchange (ETDEWEB)

    Medjoubi K.; Idir M.; Thompson, A.; Berar, J-F.; Clemens, J-C.; Delpierre, P.; Da Silva, P.; Dinkespiler, B.; Itie, J-P.; Legrand, P.; Menneglier, C.; Mercere, P.; Picca, F.; Samama J-P.

    2012-02-02

    The XPAD3S-CdTe, a CdTe photon-counting pixel array detector, has been used to measure the energy and the intensity of the white-beam diffraction from a lysozyme crystal. A method was developed to calibrate the detector in terms of energy, allowing incident photon energy measurement to high resolution (approximately 140 eV), opening up new possibilities in energy-resolved X-ray diffraction. In order to demonstrate this, Laue diffraction experiments were performed on the bending-magnet beamline METROLOGIE at Synchrotron SOLEIL. The X-ray energy spectra of diffracted spots were deduced from the indexed Laue patterns collected with an imaging-plate detector and then measured with both the XPAD3S-CdTe and the XPAD3S-Si, a silicon photon-counting pixel array detector. The predicted and measured energy of selected diffraction spots are in good agreement, demonstrating the reliability of the calibration method. These results open up the way to direct unit-cell parameter determination and the measurement of high-quality Laue data even at low resolution. Based on the success of these measurements, potential applications in X-ray diffraction opened up by this type of technology are discussed.

  10. Local and regional energy companies offering energy services: Key activities and implications for the business model

    International Nuclear Information System (INIS)

    Kindström, Daniel; Ottosson, Mikael

    2016-01-01

    Highlights: • Many companies providing energy services are experiencing difficulties. • This research identifies key activities for the provision of energy services. • Findings are aggregated to the business-model level providing managerial insights. • This research identifies two different business model innovation paths. • Energy companies may need to renew parts of, or the entire, business model. - Abstract: Energy services play a key role in increasing energy efficiency in the industry. The key actors in these services are the local and regional energy companies that are increasingly implementing energy services as part of their market offering and developing service portfolios. Although expectations for energy services have been high, progress has so far been limited, and many companies offering energy services, including energy companies, are experiencing difficulties in implementing energy services and providing them to the market. Overall, this research examines what is needed for local and regional energy companies to successfully implement energy services (and consequently provide them to the market). In doing this, a two-stage process is used: first, we identify key activities for the successful implementation of energy services, and second, we aggregate the findings to the business model level. This research demonstrates that to succeed in implementing energy services, an energy company may need to renew parts or all of its existing product-based business model, formulate a new business model, or develop coexisting multiple business models. By discussing two distinct business model innovation processes, this research demonstrates that there can be different paths to success.

  11. Coherent Bremsstrahlung, Coherent Pair Production, Birefringence and Polarimetry in the 20-170 GeV energy range using aligned crystals

    CERN Document Server

    Apyan, A; Badelek, B; Ballestrero, S; Biino, C; Birol, I; Cenci, P; Connell, S H; Eichblatt, S; Fonseca, T; Freund, A; Gorini, B; Groess, R; Ispirian, K; Ketel, T; Kononets, Y V; López, A; Mangiarotti, A; Sellschop, J P Friedel; Shieh, M; Sona, P; Strakhovenko, V M; Uggerhøj, U; Uggerhøj, Erik; Van Rens, B; Velasco, M; Vilakazi, Z Z; Wessely, O; Ünel, G; Kononets, Yu V

    2008-01-01

    The processes of coherent bremsstrahlung (CB) and coherent pair production (CPP) based on aligned crystal targets have been studied in the energy range 20-170 GeV. The experimental arrangement allowed these phenomena as well as their polarization dependence to be evaluated under conditions where single-photon cross-sections could be measured. This proved very important as the theoretical description of CB and CPP is an area of active theoretical debate and development. The theoretical approach used in this paper predicts both the cross sections and polarization observables very well for the experimental conditions investigated, indicating that the understanding of CB and CPP is reliable up to energies of 170 GeV. A birefringence effect in CPP was studied and it was demonstrated this enabled new technologies for high energy photon beam optics, such as polarimeters (for both linear and circular polarization) and phase plates. We also present new results regarding the features of coherent high energy photon emis...

  12. Crystallization of the glycogen-binding domain of the AMP-activated protein kinase β subunit and preliminary X-ray analysis

    Energy Technology Data Exchange (ETDEWEB)

    Polekhina, Galina, E-mail: gpolekhina@svi.edu.au; Feil, Susanne C.; Gupta, Abhilasha [St Vincent’s Institute of Medical Research, 9 Princes Street, Fitzroy, Victoria 3065 (Australia); O’Donnell, Paul [Department of Biochemistry and Molecular Biology, The University of Melbourne, Parkville 3010 (Australia); Stapleton, David; Parker, Michael W. [St Vincent’s Institute of Medical Research, 9 Princes Street, Fitzroy, Victoria 3065 (Australia)

    2005-01-01

    The glycogen-binding domain of the AMP-activated kinase β subunit has been crystallized in the presence of β-cyclodextrin. The structure has been determined by single isomorphous replacement and threefold averaging using in-house X-ray data collected from selenomethionine-substituted protein. AMP-activated protein kinase (AMPK) is an intracellular energy sensor that regulates metabolism in response to energy demand and supply by adjusting the ATP-generating and ATP-consuming pathways. AMPK potentially plays a critical role in diabetes and obesity as it is known to be activated by metforin and rosiglitazone, drugs used for the treatment of type II diabetes. AMPK is a heterotrimer composed of a catalytic α subunit and two regulatory subunits, β and γ. Mutations in the γ subunit are known to cause glycogen accumulation, leading to cardiac arrhythmias. Recently, a functional glycogen-binding domain (GBD) has been identified in the β subunit. Here, the crystallization of GBD in the presence of β-cyclodextrin is reported together with preliminary X-ray data analysis allowing the determination of the structure by single isomorphous replacement and threefold averaging using in-house X-ray data collected from a selenomethionine-substituted protein.

  13. Crystallization of the glycogen-binding domain of the AMP-activated protein kinase β subunit and preliminary X-ray analysis

    International Nuclear Information System (INIS)

    Polekhina, Galina; Feil, Susanne C.; Gupta, Abhilasha; O’Donnell, Paul; Stapleton, David; Parker, Michael W.

    2004-01-01

    The glycogen-binding domain of the AMP-activated kinase β subunit has been crystallized in the presence of β-cyclodextrin. The structure has been determined by single isomorphous replacement and threefold averaging using in-house X-ray data collected from selenomethionine-substituted protein. AMP-activated protein kinase (AMPK) is an intracellular energy sensor that regulates metabolism in response to energy demand and supply by adjusting the ATP-generating and ATP-consuming pathways. AMPK potentially plays a critical role in diabetes and obesity as it is known to be activated by metforin and rosiglitazone, drugs used for the treatment of type II diabetes. AMPK is a heterotrimer composed of a catalytic α subunit and two regulatory subunits, β and γ. Mutations in the γ subunit are known to cause glycogen accumulation, leading to cardiac arrhythmias. Recently, a functional glycogen-binding domain (GBD) has been identified in the β subunit. Here, the crystallization of GBD in the presence of β-cyclodextrin is reported together with preliminary X-ray data analysis allowing the determination of the structure by single isomorphous replacement and threefold averaging using in-house X-ray data collected from a selenomethionine-substituted protein

  14. An Active Role of Citizens on the Energy Market

    International Nuclear Information System (INIS)

    Skrlec, D.

    2016-01-01

    In order to fulfil climate and energy goals that EU has set for the period until 2030 and also after 2050, an engagement of the entire society is necessary. The energy sector is entering a transition towards a so called 4D model: decarbonization, decentralisation, distribution and democratisation. Citizens' engagement and responsibility in this transition requires active consumption management, energy generation and application of energy efficiency measures. To be competitive on the energy market, various forms of collective citizen collaborations are needed and to encourage people to participate in those, they have to be further educated so that the energy sector transition can succeed. The expected road transportation electrification posts further challenges on the energy sector. Horizontal connection of more EU policies, climate-energy, circular economy, digital agenda shows that a holistic approach is needed for the transition into a new, resource and energy more efficient, society.(author).

  15. Influence of Bias on the Friction Imaging of Ferroelectric Domains in Single Crystal Barium Titanate Energy Storage Materials

    Directory of Open Access Journals (Sweden)

    Lan Chen

    2014-01-01

    Full Text Available The friction imaging of newlycleaved surface domains of single crystal BaTiO3 energy storage materials under both positive and negative voltage bias is investigated by scanning force microscope. When the bias was applied and reversed, three regions with different brightness and contrast in friction image indicated different response to the biases: the friction image of domain A displayed a great change in brightness while domains B and C displayed only a very small change. Possible mechanisms of the interesting phenomena originating from different static force between different charged tip and the periodical array of surface charges inside the inplane domains were proposed. These results provide a new method for the determination of the polarization direction for the domain parallel to the surface and may be useful in the investigation of ferroelectric energy storage materials, especially the relationship between the polarization direction of domain and the bias.

  16. Monoalkylated barbiturate derivatives: X-ray crystal structure, theoretical studies, and biological activities

    Science.gov (United States)

    Barakat, Assem; Al-Majid, Abdullah Mohammed; Soliman, Saied M.; Islam, Mohammad Shahidul; Ghawas, Hussain Mansur; Yousuf, Sammer; Choudhary, M. Iqbal; Wadood, Abdul

    2017-08-01

    Barbiturate derivatives are privileged structures with a broad range of pharmaceutical applications. We prepared a series of 5-monoalkylated barbiturate derivatives (3a-l) and evaluated, in vitro, their antioxidant (DPPH assay), and α-glucosidase inhibitory activities. Compounds 3a-l were synthesized via Michael addition. The structure of compound 3k was determined using X-ray single-crystal diffraction, and geometric parameters were calculated using density functional theory at the B3LYP/6-311G(d,p) level of theory. Further, the structural analysis of 3k were also investigated. Biological studies revealed that compounds 3b (IC50 = 133.1 ± 3.2 μM), 3d (IC50 = 305 ± 7.7 μM), and 3e (IC50 = 184 ± 2.3 μM) have potent α-glucosidase enzyme inhibitors and showed greater activity than the standard drug acarbose (IC50 = 841 ± 1.73 μM). Compounds 3a-3i were found to show weak antioxidant activity against 1,1-diphenyl-2-picryl-hydrazyl (DPPH) radicals (IC50 = 91 ± 0.75 to 122 ± 1.0 μM) when tested against a standard antioxidant, gallic acid (IC50 = 23 ± 0.43 μM).

  17. Activated Fraction Of Black Carbon By Cloud Droplets And Ice Crystals At The High Alpine Site Jungfraujoch (3580 m asl)

    Energy Technology Data Exchange (ETDEWEB)

    Cozic, J.; Mertes, S. [IFT Leipzig (Georgia); Verheggen, B.; Petzold, A. [DLR, Oberpfaffenhofen (Georgia); Weingartner, E.; Baltensperger, U.

    2005-03-01

    Measurements of black carbon (BC) were made in winter and summer 2004 at the high Alpine site Jungfraujoch in order to study the activation of BC into cloud droplets and ice crystals. Main results showed that the activated fraction represents 61% in summer and that for a large temperature range between -25 C and 5 C, the activated BC fraction increases with increasing temperature and increasing liquid water content. (author)

  18. Crystal structure of Bacillus anthracis virulence regulator AtxA and effects of phosphorylated histidines on multimerization and activity

    OpenAIRE

    Hammerstrom, Troy G.; Horton, Lori B.; Swick, Michelle C.; Joachimiak, Andrzej; Osipiuk, Jerzy; Koehler, Theresa M.

    2014-01-01

    The Bacillus anthracis virulence regulator AtxA controls transcription of the anthrax toxin genes and capsule biosynthesis operon. AtxA activity is elevated during growth in media containing glucose and CO2/bicarbonate, and there is a positive correlation between the CO2/bicarbonate signal, AtxA activity, and homomultimerization. AtxA activity is also affected by phosphorylation at specific histidines. We show that AtxA crystallizes as a dimer. Distinct folds associated with predicted DNA-bin...

  19. Enerplan, Professional association of solar energy - activity report 2006

    International Nuclear Information System (INIS)

    2007-01-01

    Enerplan is the French union of solar energy professionals. Created in 1983, its social purpose is the study and defense of the rights and of the material and moral interests of its members. Enerplan structures its action through two poles representing members' activities: 'solar energy and building' where topics about heat and electricity generation in relation with buildings are treated, and 'photovoltaic energy' where topics specific to big solar power plants are considered. Thanks to the collaborative participation of its members, both poles allow Enerplan union to be source of proposals to develop solar energy in France. As an active interface between professionals and institutions, Enerplan includes in its membership: industrialists, plant makers, engineering consultants, installers, associations, energy suppliers etc, from small-medium size companies to big groups. This document presents Enerplan's activities in 2006 (public relations, lobbying, meetings and conferences, promotional activities, collaborations, projects..)

  20. Optical activity from high energy physics models

    International Nuclear Information System (INIS)

    Jaiswal, M.K.; Ganguly, A.K.

    2012-01-01

    Since the last decade we have come across some observational evidence suggest that the universe is currently undergoing acceleration. A way to resolve this problem is by introducing a scalar field that provides 'dark energy' with negative pressure, that couples to ordinary matter fields. There are many theories where the existence of light scalar fields is possible, e.g. in string theory there are many moduli fields that couple to matter or scalar tensor theory etc. One such theory goes by the name of the chameleonic theory. The introduction of chameleon field was to explain to the source of dark matter in the universe

  1. Preparation of shape-stabilized co-crystallized poly (ethylene glycol) composites as thermal energy storage materials

    International Nuclear Information System (INIS)

    Qian, Yong; Wei, Ping; Jiang, Pingkai; Li, Zhi; Yan, Yonggang; Ji, Kejian; Deng, Weihua

    2013-01-01

    Highlights: • Shape-stabilized PEG composites were prepared by sol–gel process. • The increased energy storage ability of composite was from cocrystallization effect. • Diammonium phosphate improved flame retardancy properties of PEG composite. • PEG composites had potential to be used as thermal energy storage materials. - Abstract: Shape-stabilized co-crystallized poly (ethylene glycol) (PEG) composites were prepared by sol–gel process. Tetraethoxysilane was utilized as supporting matrix precursor. The crystallization property as well as thermal energy storage properties of PEG was influenced by silica network. The combination of PEG 2k and PEG 10k with suitable ratio (3:1 by weight) led to synergistically increased fusion enthalpy attributed to cocrystallization effect. Furthermore, halogen-free flame retarded PEG composites were obtained using diammonium phosphate as flame retardant. With suitable composition, the latent heat value of flame retarded PEG composite was 96.7 kJ/kg accompanied with good thermal stability and improved flame retardancy properties. Fourier transform infrared spectrum (FT-IR), X-ray diffraction (XRD), polarized optical microscope (POM) and scanning electron microscope (SEM) were used to characterize the structure of PEG composites. Thermal stability properties of PEG composites were investigated by thermogravimetric analyzer (TGA). Char residue obtained from muffle furnace of PEG composites was analyzed by SEM and FT-IR. Flame retardancy properties of PEG composites were estimated by pyrolysis combustion flow calorimeter. Results showed that it was potential for shape-stabilized halogen-free flame retarded PEG composite to be applied in thermal energy storage field

  2. Impact-energy dependence of the angular distribution of gold sputtered from a (111) crystal at 100 and 300 K

    International Nuclear Information System (INIS)

    Szymczak, W.; Wittmaack, K.

    1982-01-01

    The angular distribution of gold sputtered from a (111) crystal has been investigated in the (1anti 10) plane. The sample was bombarded at 100 and 300 K by normally incident (mass-analysed) Ne and Xe ions at energies between 0.2 and 30 keV. The sputtered material was collected on hemicylindrical aluminium foils. Absolute differential sputtering yields were determined by medium energy He backscattering. The partial yield into the [001] spot, ΔY 001 , determined by angular intergration, exhibits an energy dependence distinctly different from the random yield. Neither assisted focusons nor the directional ejection mechanism suggested by Lehmann and Sigmund seem to play an important role. Instead ejection involving projectile scattering in the top two monolayers appears to be the dominant mechanism for [001] spot production. This mechanism may also account for an energy-dependent fraction of ΔY 110 . Moreover, spot shape analysis suggests a sizeable focuson contribution to the [110] spot which may account for up to 30% of the total backsputtering yield under Ne impact. The [110] spot width decreases with decreasing temperature and increasing ion energy. Minimum spot widths as low as 11 0 (fwhm) have been observed at 100 K. (orig.)

  3. Nuclear Energy Agency. 6. activity report. 1977

    International Nuclear Information System (INIS)

    1978-01-01

    NEA has, as a primary objective, to ensure through international co-operation that the nuclear option is available for consideration in its true worth. The safety and regulatory aspects of nulear development have represented in 1977 about two thirds of NEA's total effort; and a high degree of priority was given to questions of nuclear safety and of radioactive waste management. Similarly, the growing need of Member countries for an integrated appraisal of technical, economic, safety, environmental and political questions influencing the nuclear fuel cycle was increasingly taken into account. Finally, a general effort was made to achieve greater visibility for the positive results of the NEA programme, as a contribution to improved public understanding of the factors underlying nuclear power programmes. As in previous years, the NEA programme continued to involve close collaboration with the International Atomic Energy Agency (IAEA) and the Commission of the European Communities. Within the OECD, close collaboration was maintained with the Combined Energy Staff and the Environment Directorate

  4. Hybrid energy storage systems utilizing redox active organic compounds

    Science.gov (United States)

    Wang, Wei; Xu, Wu; Li, Liyu; Yang, Zhenguo

    2015-09-08

    Redox flow batteries (RFB) have attracted considerable interest due to their ability to store large amounts of power and energy. Non-aqueous energy storage systems that utilize at least some aspects of RFB systems are attractive because they can offer an expansion of the operating potential window, which can improve on the system energy and power densities. One example of such systems has a separator separating first and second electrodes. The first electrode includes a first current collector and volume containing a first active material. The second electrode includes a second current collector and volume containing a second active material. During operation, the first source provides a flow of first active material to the first volume. The first active material includes a redox active organic compound dissolved in a non-aqueous, liquid electrolyte and the second active material includes a redox active metal.

  5. Timing capabilities of garnet crystals for detection of high energy charged particles

    Czech Academy of Sciences Publication Activity Database

    Lucchini, M.T.; Gundacker, S.; Lecoq, P.; Benaglia, A.; Nikl, Martin; Kamada, K.; Yoshikawa, A.; Auffray, E.

    2017-01-01

    Roč. 852, Apr (2017), s. 1-9 ISSN 0168-9002 R&D Projects: GA ČR GA16-15569S EU Projects: European Commission(XE) 690599 - ASCIMAT; European Commission(XE) 644260 - INTELUM Grant - others:COST(XE) TD1401 Institutional support: RVO:68378271 Keywords : precision timing * calorimeters * time-of-flight * YAG:Ce * LuAG:Ce * GAGG:Ce * LSO:Ce * crystals * SiPM Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.362, year: 2016

  6. Slow-light-enhanced energy efficiency for graphene microheaters on silicon photonic crystal waveguides

    DEFF Research Database (Denmark)

    Yan, Siqi; Zhu, Xiaolong; Frandsen, Lars Hagedorn

    2017-01-01

    Slow light has been widely utilized to obtain enhanced nonlinearities, enhanced spontaneous emissions and increased phase shifts owing to its ability to promote light-matter interactions. By incorporating a graphene on a slow-light silicon photonic crystal waveguide, here we experimentally...... in silicon photonics. The corresponding figure of merit of the device is 2.543 nW s, one order of magnitude better than results reported in previous studies. The influence of the length and shape of the graphene heater to the tuning efficiency is further investigated, providing valuable guidelines...

  7. A Study of the use of a Crystal as a `Quarter-Wave Plate' to Produce High Energy Circularly Polarized Photons

    CERN Multimedia

    Kononets, I

    2002-01-01

    %NA59 %title\\\\ \\\\We present a proposal to study the use of a crystal as a `quarter-wave plate' to produce high energy circularly polarized photons, starting from unpolarized electrons. The intention is to generate linearly polarized photons by letting electrons pass a crystalline target, where they interact coherently with the lattice nuclei. The photon polarization is subsequently turned into circular polarization after passing another crystal, which acts as a `quarter-wave plate'.

  8. Mechanism of active transport: free energy dissipation and free energy transduction.

    OpenAIRE

    Tanford, C

    1982-01-01

    The thermodynamic pathway for "chemiosmotic" free energy transduction in active transport is discussed with an ATP-driven Ca2+ pump as an illustrative example. Two innovations are made in the analysis. (i) Free energy dissipated as heat is rigorously excluded from overall free energy bookkeeping by focusing on the dynamic equilibrium state of the chemiosmotic process. (ii) Separate chemical potential terms for free energy donor and transported ions are used to keep track of the thermodynamic ...

  9. ALICE photon spectrometer crystals

    CERN Multimedia

    Maximilien Brice

    2006-01-01

    Members of the mechanical assembly team insert the last few crystals into the first module of ALICE's photon spectrometer. These crystals are made from lead-tungstate, a crystal as clear as glass but with nearly four times the density. When a high-energy particle passes through one of these crystals it will scintillate, emitting a flash of light allowing the energy of photons, electrons and positrons to be measured.

  10. Energy harvesting with Di-Electro Active Polymers

    DEFF Research Database (Denmark)

    Due, Jens; Munk-Nielsen, Stig; Nielsen, Rasmus Ørndrup

    2010-01-01

    This article presents a way of using Di-Electro Active Polymers (D-EAPs) for harvesting mechanical energy sources. The article describes the basics of energy harvesting with D-EAPs, and an electrical model of a D-EAP is suggested. This leads to a converter design which is able to extract...... the electrical energy harvested by the D-EAP. This converter is simulated and realized. Through experimental results both the model of the DEAP and the converter are verified. It is found that it is possible to harvest energy with a D-EAP and build a converter that can extract the harvested energy....

  11. Crystal Ball at PEP

    International Nuclear Information System (INIS)

    Bartel, W.; Bulos, F.; Luke, D.; Peck, C.; Strauch, K.

    1975-01-01

    The modifications to the SPEAR version of the Crystal Ball required by the higher energies at PEP are discussed. Since the hadron multiplicity is expected to rise as log s, their average energy must rise. On the other hand, if the hadrons are produced in jets, the low energy part of their spectrum is not heavily depleted. This implies that modifications for high energy particles should not deteriorate low energy performance. An external iron calorimeter for measuring the high energy hadrons, charged and neutral, is considered. To improve the angular resolution on γ's, an active internal converter has been studied, estimates have been made of its expected performance, and difficulties requiring further study have been outlined

  12. Single crystal EPR determination of the quantum energy level structure for Fe8 molecular clusters

    Science.gov (United States)

    Maccagnano, S.; Hill, S.; Negusse, E.; Lussier, A.; Mola, M. M.; Achey, R.; Dalal, N. S.

    2001-05-01

    Using a high sensitivity resonance cavity technique,^1 we are able to obtain high field/frequency (up to 9 tesla/210 GHz) EPR spectra for oriented single crystals of [Fe_8O_2(OH)_12(tacn)_6]Br_8.9H_2O (or Fe8 for short). Extrapolating the frequency dependence of transitions to zero-field (for any orientation of the field) allows us to directly, and accurately (to within 0.5 percent), determine the first five zero-field splittings, which are in reasonable agreement with recent inelastic neutron studies.^2 The dependence of these splittings on the applied field strength, and its orientation with respect to the crystal, enables us to identify (to within 1^o) the easy, intermediate and hard magnetic axes. Subsequent analysis of EPR spectra for field parallel to the easy axis yields a value of for gz which is appreciably different from the value assumed in a recent high field EPR study by Barra et al.^3 ^1 M.M. Mola, S. Hill, P. Goy, and M. Gross, Rev. Sci. Inst. 71, 186 (2000). ^2 R. Caciuffo, G. Amoretti, R. Sessoli, A. Caneschi, and D. Gatteschi, Phys. Rev. Lett. 81, 4744 (1998). ^3 A. L. Barra, D. Gatteschi, and R. Sessoli, cond?mat/0002386 (Feb, 2000).

  13. Active terahertz metamaterials based on liquid-crystal induced transparency and absorption

    Science.gov (United States)

    Yang, Lei; Fan, Fei; Chen, Meng; Zhang, Xuanzhou; Chang, Sheng-Jiang

    2017-01-01

    An active terahertz (THz) liquid crystal (LC) metamaterial has been experimentally investigated for THz wave modulation. Some interesting phenomena of resonance shifting, tunable electromagnetically induced transparency (EIT) and electromagnetically induced absorption (EIA) have been observed in the same device structure under different DC bias directions and different incident wave polarization directions by the THz time domain spectroscopy. Further theoretical studies indicate that these effects originate from interference and coupling between bright and dark mode components of elliptically polarized modes in the LC metamaterial, which are induced by the optical activity of LC alignment controllable by the electric field as well as the changes of LC refractive index. The LC layer is indeed a phase retarder and polarization converter that is controlled by the DC bias. The THz modulation depth of the analogs of EIT and EIA effects are 18.3 dB and 10.5 dB in their frequency band, respectively. Electrical control, large modulation depth and feasible integration of this LC device make it an ideal candidate for THz tunable filter, intensity modulator and spatial light modulator.

  14. Free energy and structure of dislocation cores in two-dimensional crystals

    NARCIS (Netherlands)

    Bladon, P.B.; Frenkel, D.

    2004-01-01

    The nature of the melting transition in two dimensions is critically dependent on the core energy of dislocations. In this paper, we report calculations of the core free energy and the core size of dislocations in two-dimensional solids of systems interacting via square well, hard disk, and r-12

  15. Crystals in crystals

    DEFF Research Database (Denmark)

    Christensen, Claus H.; Schmidt, I.; Carlsson, A.

    2005-01-01

    A major factor governing the performance of catalytically active particles supported on a zeolite carrier is the degree of dispersion. It is shown that the introduction of noncrystallographic mesopores into zeolite single crystals (silicalite-1, ZSM-5) may increase the degree of particle dispersion....... As representative examples, a metal (Pt), an alloy (PtSn), and a metal carbide (beta-Mo2C) were supported on conventional and mesoporous zeolite carriers, respectively, and the degree of particle dispersion was compared by TEM imaging. On conventional zeolites, the supported material aggregated on the outer surface...

  16. OECD Nuclear Energy Agency. 3. Activity report, 1974

    International Nuclear Information System (INIS)

    1975-01-01

    The main activities of the Agency are reviewed: study of nuclear power trends; regulatory aspects of nuclear power; technical developments: Eurochemic, Halden, Dragon, food irradiation, gas-cooled fast reactors, direct conversion, isotopic batteries; nuclear energy information

  17. Evaluating Maximum Wind Energy Exploitation in Active Distribution Networks

    DEFF Research Database (Denmark)

    Siano, Pierluigi; Chen, Peiyuan; Chen, Zhe

    2010-01-01

    The increased spreading of distributed and renewable generation requires moving towards active management of distribution networks. In this paper, in order to evaluate maximum wind energy exploitation in active distribution networks, a method based on a multi-period optimal power flow (OPF......) analysis is proposed. Active network management schemes such as coordinated voltage control, energy curtailment and power factor control are integrated in the method in order to investigate their impacts on the maximization of wind energy exploitation. Some case studies, using real data from a Danish...... distribution system, confirmed the effectiveness of the proposed method in evaluating the optimal applications of active management schemes to increase wind energy harvesting without costly network reinforcement for the connection of wind generation....

  18. Enerplan, Professional association of solar energy - activity report 2007. Network of solar energy professionals in France

    International Nuclear Information System (INIS)

    2008-01-01

    Enerplan is the French union of solar energy professionals. Created in 1983, its social purpose is the study and defense of the rights and of the material and moral interests of its members. Enerplan structures its action through two poles representing members' activities: 'solar energy and building' where topics about heat and electricity generation in relation with buildings are treated, and 'photovoltaic energy' where topics specific to big solar power plants are considered. Thanks to the collaborative participation of its members, both poles allow Enerplan union to be source of proposals to develop solar energy in France. As an active interface between professionals and institutions, Enerplan includes in its membership: industrialists, plant makers, engineering consultants, installers, associations, energy suppliers etc, from small-medium size companies to big groups. This document presents Enerplan's activities in 2007 (public relations, lobbying, meetings and conferences, promotional activities, collaborations, projects..)

  19. Enerplan, Professional association of solar energy - activity report 2008. Acting for solar energy promotion and development

    International Nuclear Information System (INIS)

    2009-01-01

    Enerplan is the French union of solar energy professionals. Created in 1983, its social purpose is the study and defense of the rights and of the material and moral interests of its members. Enerplan structures its action through two poles representing members' activities: 'solar energy and building' where topics about heat and electricity generation in relation with buildings are treated, and 'photovoltaic energy' where topics specific to big solar power plants are considered. Thanks to the collaborative participation of its members, both poles allow Enerplan union to be source of proposals to develop solar energy in France. As an active interface between professionals and institutions, Enerplan includes in its membership: industrialists, plant makers, engineering consultants, installers, associations, energy suppliers etc, from small-medium size companies to big groups. This document presents Enerplan's activities in 2008 (public relations, lobbying, meetings and conferences, promotional activities, collaborations, projects..)

  20. Synthesis, Crystal Structure and Anti-ischaemic Activity of (E)-1-{4 ...

    African Journals Online (AJOL)

    chloro- phenyl)prop-2-en-1-one (C28H29ClN2O3, Mr = 476.98) (5) was synthesized and studied by the single crystal X-ray diffraction method. Its structure was confirmed by 1HNMR, 13CNMR,HRMSand X-ray single crystal structure ...

  1. Dopant redistribution and electrical activation in silicon following ultra-low energy boron implantation and excimer laser annealing

    International Nuclear Information System (INIS)

    Whelan, S.; La Magna, A.; Privitera, V.; Mannino, G.; Italia, M.; Bongiorno, C.; Fortunato, G.; Mariucci, L.

    2003-01-01

    Excimer laser annealing (ELA) of ultra-low-energy (ULE) B-ion implanted Si has been performed. High-resolution transmission electron microscopy has been used to assess the as-implanted damage and the crystal recovery following ELA. The electrical activation and redistribution of B in Si during ELA has been investigated as a function of the laser energy density (melted depth), the implant dose, and the number of laser pulses (melt time). The activated and retained dose has been evaluated with spreading resistance profiling and secondary ion mass spectrometry. A significant amount of the implanted dopant was lost from the sample during ELA. However, the dopant that was retained in crystal material was fully activated following rapid resolidification. At an atomic concentration below the thermodynamic limit, the activation efficiency (dose activated/dose implanted into Si material) was a constant for a fixed melt depth, irrespective of the dose implanted and hence the total activated dose was raised as the implant dose was increased. The electrical activation was increased for high laser energy density annealing when the dopant was redistributed over a deeper range

  2. Energy consumption in buildings for different sport activities

    Energy Technology Data Exchange (ETDEWEB)

    Norrfors, M; Werner, G; Oertenstrand, G

    1978-01-01

    Some buildings for different kinds of sport activities have a great energy demand. The actions which could be taken in order to decrease the energy demand and at the same time decrease the operating costs for these buildings are summarized. References are given to literature of current interest in this field.

  3. Variation of the energy gap of the SbSI crystals at ferroelectric phase transition

    International Nuclear Information System (INIS)

    Audzijonis, A.; Zaltauskas, R.; Zigas, L.; Vinokurova, I.V.; Farberovich, O.V.; Pauliukas, A.; Kvedaravicius, A.

    2006-01-01

    Variation of the forbidden gap of SbSI crystals in the phase transition region is analyzed on the pseudopotential method for antiferroelectric and ferroelectric phase. The band gap at several special points of the Brillouin zone and some characteristic parameters of the band are considered. During the phase transition, the most significant changes are observed with the valence band top at points Q, C, R, H, E and with the conduction band bottom at points H, T and E of the Brillouin zone. At the ferroelectric phase transition, the valence and conduction bands change due to displacement of Sb and S atoms with respect to I and with respect to each other as a result of order-disorder and displacement-type transition. The obtained band gap values agree quite well with the experiment. This is apparently due to application of neutral rather than ionic atomic functions and inclusion of sufficiently many plane waves in the basis set for calculation

  4. Probing low-energy hyperbolic polaritons in van der Waals crystals with an electron microscope.

    Science.gov (United States)

    Govyadinov, Alexander A; Konečná, Andrea; Chuvilin, Andrey; Vélez, Saül; Dolado, Irene; Nikitin, Alexey Y; Lopatin, Sergei; Casanova, Fèlix; Hueso, Luis E; Aizpurua, Javier; Hillenbrand, Rainer

    2017-07-21

    Van der Waals materials exhibit intriguing structural, electronic, and photonic properties. Electron energy loss spectroscopy within scanning transmission electron microscopy allows for nanoscale mapping of such properties. However, its detection is typically limited to energy losses in the eV range-too large for probing low-energy excitations such as phonons or mid-infrared plasmons. Here, we adapt a conventional instrument to probe energy loss down to 100 meV, and map phononic states in hexagonal boron nitride, a representative van der Waals material. The boron nitride spectra depend on the flake thickness and on the distance of the electron beam to the flake edges. To explain these observations, we developed a classical response theory that describes the interaction of fast electrons with (anisotropic) van der Waals slabs, revealing that the electron energy loss is dominated by excitation of hyperbolic phonon polaritons, and not of bulk phonons as often reported. Thus, our work is of fundamental importance for interpreting future low-energy loss spectra of van der Waals materials.Here the authors adapt a STEM-EELS system to probe energy loss down to 100 meV, and apply it to map phononic states in hexagonal boron nitride, revealing that the electron loss is dominated by hyperbolic phonon polaritons.

  5. Probing low-energy hyperbolic polaritons in van der Waals crystals with an electron microscope

    KAUST Repository

    Govyadinov, Alexander A.

    2017-07-14

    Van der Waals materials exhibit intriguing structural, electronic, and photonic properties. Electron energy loss spectroscopy within scanning transmission electron microscopy allows for nanoscale mapping of such properties. However, its detection is typically limited to energy losses in the eV range-too large for probing low-energy excitations such as phonons or mid-infrared plasmons. Here, we adapt a conventional instrument to probe energy loss down to 100 meV, and map phononic states in hexagonal boron nitride, a representative van der Waals material. The boron nitride spectra depend on the flake thickness and on the distance of the electron beam to the flake edges. To explain these observations, we developed a classical response theory that describes the interaction of fast electrons with (anisotropic) van der Waals slabs, revealing that the electron energy loss is dominated by excitation of hyperbolic phonon polaritons, and not of bulk phonons as often reported. Thus, our work is of fundamental importance for interpreting future low-energy loss spectra of van der Waals materials.Here the authors adapt a STEM-EELS system to probe energy loss down to 100 meV, and apply it to map phononic states in hexagonal boron nitride, revealing that the electron loss is dominated by hyperbolic phonon polaritons.

  6. Probing low-energy hyperbolic polaritons in van der Waals crystals with an electron microscope

    KAUST Repository

    Govyadinov, Alexander A.; Konečná , Andrea; Chuvilin, Andrey; Vé lez, Saü l; Dolado, Irene; Nikitin, Alexey Y.; Lopatin, Sergei; Casanova, Fè lix; Hueso, Luis E.; Aizpurua, Javier; Hillenbrand, Rainer

    2017-01-01

    Van der Waals materials exhibit intriguing structural, electronic, and photonic properties. Electron energy loss spectroscopy within scanning transmission electron microscopy allows for nanoscale mapping of such properties. However, its detection is typically limited to energy losses in the eV range-too large for probing low-energy excitations such as phonons or mid-infrared plasmons. Here, we adapt a conventional instrument to probe energy loss down to 100 meV, and map phononic states in hexagonal boron nitride, a representative van der Waals material. The boron nitride spectra depend on the flake thickness and on the distance of the electron beam to the flake edges. To explain these observations, we developed a classical response theory that describes the interaction of fast electrons with (anisotropic) van der Waals slabs, revealing that the electron energy loss is dominated by excitation of hyperbolic phonon polaritons, and not of bulk phonons as often reported. Thus, our work is of fundamental importance for interpreting future low-energy loss spectra of van der Waals materials.Here the authors adapt a STEM-EELS system to probe energy loss down to 100 meV, and apply it to map phononic states in hexagonal boron nitride, revealing that the electron loss is dominated by hyperbolic phonon polaritons.

  7. Rapid electrostatics-assisted layer-by-layer assembly of near-infrared-active colloidal photonic crystals.

    Science.gov (United States)

    Askar, Khalid; Leo, Sin-Yen; Xu, Can; Liu, Danielle; Jiang, Peng

    2016-11-15

    Here we report a rapid and scalable bottom-up technique for layer-by-layer (LBL) assembling near-infrared-active colloidal photonic crystals consisting of large (⩾1μm) silica microspheres. By combining a new electrostatics-assisted colloidal transferring approach with spontaneous colloidal crystallization at an air/water interface, we have demonstrated that the crystal transfer speed of traditional Langmuir-Blodgett-based colloidal assembly technologies can be enhanced by nearly 2 orders of magnitude. Importantly, the crystalline quality of the resultant photonic crystals is not compromised by this rapid colloidal assembly approach. They exhibit thickness-dependent near-infrared stop bands and well-defined Fabry-Perot fringes in the specular transmission and reflection spectra, which match well with the theoretical calculations using a scalar-wave approximation model and Fabry-Perot analysis. This simple yet scalable bottom-up technology can significantly improve the throughput in assembling large-area, multilayer colloidal crystals, which are of great technological importance in a variety of optical and non-optical applications ranging from all-optical integrated circuits to tissue engineering. Copyright © 2016 Elsevier Inc. All rights reserved.

  8. The conditions for total reflection of low-energy atoms from crystal surfaces

    International Nuclear Information System (INIS)

    Hou, M.; Robinson, M.T.

    1978-01-01

    The critical angles for the total reflection of low-energy particles from Cu rows and (001) planes have been investigated, using the binary collision approximation computer simulation code MARLOWE Breakthrough angles were evaluated for H, N, Ne, Ar, Cu, Xe, and Au in the energy range from 0.1 to 7.5 keV. In both the axial and the planar cases, recoiling of the target atoms lowers the energy barrier which the target surface presents to the heavy projectiles. Consequently, the breakthrough angles are reduced for heavy projectiles below the values expected either from observations on light projectiles or from analytical channeling theory. (orig.) [de

  9. A simple nonbinary scattering model applicable to atomic collisions is crystals at 1ow energies

    DEFF Research Database (Denmark)

    Andersen, Hans Henrik; Sigmund, Peter

    1966-01-01

    the asymptotic velocities of the ring atoms as well as the energy loss of the projectile. Furthermore, it can be decided whether the projectile is reflected by the ring. Both the feasibility of assumptions specifying the problem and the validity of different approximations made in the transformation from...... previously. Inelastic contributions to the energy loss can easily be included. The oscillator forces binding lattice atoms turn out to influence the scattering process only at very small energies. The validity of the so-called momentum approximation and a related perturbation method are also investigated....

  10. Mechanism of conductivity type conversion in p-Hg1-xCdxTe crystals under low energy ion bombardment

    International Nuclear Information System (INIS)

    Bogoboyashchij, V.V.; Izhnin, I.I.

    2000-01-01

    Conditions giving rise to accelerated diffusion of Hg under bombardment of p-Hg 1-x Cd x Te by low-energy particles are analyzed and probable mechanisms of the phenomenon are suggested, permitting qualitative and quantitative agreement with experimental data. Analysis indicates that basic regularities of p-n-conversion during Hg 0.8 Cd 0.2 Te crystal bombardment by neutralized ions can be easily explained in the framework of traditional notions of mercury chemical diffusion in this material. The regularities stem from specific features of defect formation in Hg 0.8 Cd 0.2 Te, on the one hand, and from a high concentration of intrinsic electrons and holes, screening effectively the defective layer electric field, on the other hand. The high rate of conversion during ion bombardment compared with the rate of conversion during annealing in mercury vapors can be explained by the fact that a great number of nonequilibrium interstitial atoms of mercury, by far exceeding the value during thermal annealing, is crated near the surface of the crystal bombarded [ru

  11. Synthesis, characterization, crystal structure and theoretical study of a compound with benzodiazole ring: antimicrobial activity and DNA binding.

    Science.gov (United States)

    Latha, P; Kodisundaram, P; Sundararajan, M L; Jeyakumar, T

    2014-08-14

    2-(Thiophen-2-yl)-1-((thiophen-2-yl)methyl)-1H-1,3-benzodiazole (HL) is synthesized and characterized by elemental analysis, UV-Vis, FT-IR, (1)H, (13)C NMR, mass spectra, scanning electron microscope (SEM) and single crystal X-ray diffraction. The crystal structure is stabilized by intermolecular CH⋯N and CH⋯π interactions. The molecular structure is also optimized at the B3LYP/6-31G level using density functional theory (DFT). The structural parameters from the theory are nearer to those of crystal, the calculated total energy of coordination is -1522.814a.u. The energy of HOMO-LUMO and the energy gap are -0.20718, -0.04314, 0.16404a.u, respectively. All data obtained from the spectral studies support the structural properties of the compound HL. The benzimidazole ring is essentially planar. The in vitro biological screening effects of the synthesized compound is tested against four bacterial and four fungal strains by well diffusion method. Antioxidant property and DNA binding behaviour of the compound has been investigated using spectrophotometric method. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. The scattering of low energy helium ions and atoms from a copper single crystal, ch. 2

    International Nuclear Information System (INIS)

    Verheij, L.K.; Poelsema, B.; Boers, A.L.

    1976-01-01

    The scattering of 4-10 keV helium ions from a copper surface cannot be completely described with elastic, single collisions. The general behaviour of the measured energy and width of the surface peak can be explained by differences in inelastic energy losses for scattering from an ideal surface and from surface structures (damage). Multiple scattering effects have a minor influence. Additional information about the inelastic processes is obtained from scattering experiments with a primary atom beam. For large angles of incidence, the energy of the reflected ions is reduced about 20 eV if the primary beam consists of atoms instead of ions. An explanation of this effect and an explanation of the different behaviour of small angles is given. In the investigated energy range, the electronic stopping power might depend on the charge state of the primary particles. The experimental results are rather well explained by the Lindhard, Scharff, Schioett theory

  13. Nanoparticles in liquid crystals, and liquid crystals in nanoparticles

    Science.gov (United States)

    de Pablo, Juan

    2015-03-01

    Liquid crystals are remarkably sensitive to interfacial interactions. Small perturbations at a liquid crystal interface, for example, can be propagated over relatively long length scales, thereby providing the basis for a wide range of applications that rely on amplification of molecular events into macroscopic observables. Our recent research efforts have focused on the reverse phenomenon; that is, we have sought to manipulate the interfacial assembly of nanoparticles or the organization of surface active molecules by controlling the structure of a liquid crystal. This presentation will consist of a review of the basic principles that are responsible for liquid crystal-mediated interactions, followed by demonstrations of those principles in the context of two types of systems. In the first, a liquid crystal is used to direct the assembly of nanoparticles; through a combination of molecular and continuum models, it is found that minute changes in interfacial energy and particle size lead to liquid-crystal induced attractions that can span multiple orders of magnitude. Theoretical predictions are confirmed by experimental observations, which also suggest that LC-mediated assembly provides an effective means for fabrication of plasmonic devices. In the second type of system, the structure of a liquid crystal is controlled by confinement in submicron droplets. The morphology of the liquid crystal in a drop depends on a delicate balance between bulk and interfacial contributions to the free energy; that balance can be easily perturbed by adsorption of analytes or nanoparticles at the interface, thereby providing the basis for development of hierarchical assembly of responsive, anisotropic materials. Theoretical predictions also indicate that the three-dimensional order of a liquid crystal can be projected onto a two-dimensional interface, and give rise to novel nanostructures that are not found in simple isotropic fluids.

  14. Dietary intake, physical activity and energy expenditure of Malaysian adolescents.

    Science.gov (United States)

    Zalilah, M S; Khor, G L; Mirnalini, K; Norimah, A K; Ang, M

    2006-06-01

    Paediatric obesity is a public health concern worldwide as it can track into adulthood and increase the risk of adult morbidity and mortality. While the aetiology of obesity is multi-factorial, the roles of diet and physical activity are controversial. Thus, the purpose of this study was to report on the differences in energy intake, diet composition, time spent doing physical activity and energy expenditure among underweight (UW), normal weight (NW) and at-risk of overweight (OW) Malaysian adolescents (317 females and 301 males) aged 11-15 years. This was a cross-sectional study with 6,555 adolescents measured for weights and heights for body mass index (BMI) categorisation. A total of 618 subjects were randomly selected from each BMI category according to gender. The subjects' dietary intake and physical activity were assessed using self-reported three-day food and activity records, respectively. Dietary intake components included total energy and macronutrient intakes. Energy expenditure was calculated as a sum of energy expended for basal metabolic rate and physical activity. Time spent (in minutes) in low, medium and high intensity activities was also calculated. The OW adolescents had the highest crude energy intake and energy expenditure. However, after adjusting for body weight, the OW subjects had the lowest energy intake and energy expenditure (p-value is less than 0.001). The study groups did not differ significantly in time spent for low, medium and high intensity activities. Macronutrient intakes differed significantly only among the girls where the OW group had the highest intakes compared to UW and NW groups (p-value is less than 0.05). All study groups had greater than 30 percent and less than 55 percent of energy intake from fat and carbohydrate, respectively. The data suggested that a combination of low energy expenditure adjusted for body weight and high dietary fat intake may be associated with overweight and obesity among adolescents. To

  15. A high-energy double-crystal fixed exit monochromator for the X17 superconducting wiggler beam line at the NSLS

    International Nuclear Information System (INIS)

    Garrett, R.F.; Dilmanian, F.A.; Oversluizen, T.; Lenhard, A.; Berman, L.E.; Chapman, L.D.; Stoeber, W.

    1992-01-01

    A high-energy double-crystal x-ray monochromator has been constructed for use on the X-17 beam line at the National Synchrotron Light Source (NSLS). Its design is based on the ''boomerang'' right angle linkage, and features a fixed exit beam, a cooled first crystal, and an energy range of 8--92 keV. The entire mechanism is UHV compatible. The design is described and performance details, obtained in testing at the X17 beam line, are presented

  16. Light yield of a CsI(Tl) crystal under irradiation by protons with the energy from 3 to 15 MeV

    International Nuclear Information System (INIS)

    Dorchoman, D.; Konstantin, M.; Lazarovich, D.; Muntyanu, I.; Oganesyan, K.O.; Porokhovoj, S.Yu.

    1976-01-01

    Measurement results are presented of light yield in CsI(Tl) crystals at the irradiation by protons with the energy from 3 to 15 MeV. Plates of 100x100x2 mm size are used as CsI(Tl) scintillator samples. A brief analysis of possible sistematic errors is given which allows to estimate the total error upon the light yield valve determination equal to 0,5%. Measurement results of crystal light yield show that the dependence of CsI(Tl) light yield on proton energy is described by the straight line passing through the origin

  17. Mechanical Control of ATP Synthase Function: Activation Energy Difference between Tight and Loose Binding Sites

    KAUST Repository

    Beke-Somfai, Tamás; Lincoln, Per; Nordén, Bengt

    2010-01-01

    Despite exhaustive chemical and crystal structure studies, the mechanistic details of how FoF1-ATP synthase can convert mechanical energy to chemical, producing ATP, are still not fully understood. On the basis of quantum mechanical calculations

  18. A New 1D Chained Coordination Polymer: Synthesis, Crystal Structure, Antitumor Activity and Luminescent Property

    Directory of Open Access Journals (Sweden)

    Xi-Shi Tai

    2015-11-01

    Full Text Available A new 1D chained coordination polymer of Zn(II, {[Zn(L2(4,4′-bipy]·(H2O}n(1 (HL = N-acetyl-l-phenylalanine; 4,4′-bipy = 4,4′-bipyridine has been synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction analysis. Theresults show that each asymmetric unit of Zn(II complex belongs to monoclinic, space group P21 with a = 11.421(2 Å, b = 9.2213(17 Å, c = 15.188(3 Å,β = 106.112(3°, V = 1536.7(5 Å3, Z = 2, Dc = 1.444 g·cm−3, µ = 0.857 mm−1, F(000 = 696, and final R1 = 0.0439, ωR2 = 0.1013. The molecules form one-dimensional chained structure by its the bridging 4,4′-bipyridine ligands. The antitumor activities and luminescent properties of Zn(II coordination polymer have also been investigated.

  19. Asymmetric impacts of international energy shocks on macroeconomic activities

    International Nuclear Information System (INIS)

    Yeh, Fang-Yu; Hu, Jin-Li; Lin, Cheng-Hsun

    2012-01-01

    While limited by its scarcity of natural resources, the impacts of energy price changes on Taiwan's economic activities have been an important issue for social public and government authorities. This study applies the multivariate threshold model to investigate the effects of various international energy price shocks on Taiwan's macroeconomic activity. By separating energy price changes into the so-called decrease and increase regimes, we can realize different impacts of energy price changes and their shocks on economic output. The results confirm that there is an asymmetric threshold effect for the energy-output nexus. The optimal threshold levels are exactly where the oil price change is at 2.48%, the natural gas price change is at 0.66%, and the coal price change is at 0.25%. The impulse response analysis suggests that oil price and natural gas shocks have a delayed negative impact on macroeconomic activities. - Highlights: ► This study applies multivariate threshold model to investigate the effects of various international energy price shocks on Taiwan's macroeconomic activity. ► The results confirm that there is an asymmetric threshold effect for energy-output nexus. ► The optimal threshold levels are exactly found where oil price change is at 2.48%, natural gas price change is at 0.66%, and coal price change is at 0.25%.

  20. Establishing linear solvation energy relationships between VOCs and monolayer-protected gold nanoclusters using quartz crystal microbalance.

    Science.gov (United States)

    Li, Chi-Lin; Lu, Chia-Jung

    2009-08-15

    Linear solvation energy relationships (LSERs) have been recognized as a useful model for investigating the chemical forces behind the partition coefficients between vapor molecules and absorbents. This study is the first to determine the solvation properties of monolayer-protected gold nanoclusters (MPCs) with different surface ligands. The ratio of partition coefficients/MPC density (K/rho) of 18 volatile organic compounds (VOCs) for four different MPCs obtained through quartz crystal microbalance (QCM) experiments were used for the LSER model calculations. LSER modeling results indicate that all MPC surfaces showed a statistically significant (pattraction, 4-methoxythiophenol-capped MPCs can also interact with polar organics (s=1.04). Showing a unique preference for the hydrogen bond basicity of vapors (b=1.11), 2-benzothiazolethiol-capped MPCs provide evidence of an intra-molecular, proton-shift mechanism on surface of nano-gold.

  1. Probing the formation of silicon nano-crystals (Si-ncs) using variable energy positron annihilation spectroscopy

    Science.gov (United States)

    Knights, A. P.; Bradley, J. D. B.; Hulko, O.; Stevanovic, D. V.; Edwards, C. J.; Kallis, A.; Coleman, P. G.; Crowe, I. F.; Halsall, M. P.; Gwilliam, R. M.

    2011-01-01

    We describe preliminary results from studies of the formation of silicon nano-crystals (Si-ncs) embedded in stoichiometric, thermally grown SiO2 using Variable Energy Positron Annihilation Spectroscopy (VEPAS). We show that the VEPAS technique is able to monitor the introduction of structural damage. In SiO2 through the high dose Si+ ion implantation required to introduce excess silicon as a precursor to Si-nc formation. VEPAS is also able to characterize the rate of the removal of this damage with high temperature annealing, showing strong correlation with photoluminescence. Finally, VEPAS is shown to be able to selectively probe the interface between Si-ncs and the host oxide. Introduction of hydrogen at these interfaces suppresses the trapping of positrons at the interfaces.

  2. Energy Harvesting Cycles of Dielectric ElectroActive Polymer Generators

    DEFF Research Database (Denmark)

    Dimopoulos, Emmanouil; Trintis, Ionut; Munk-Nielsen, Stig

    2012-01-01

    Energy harvesting via Dielectric ElectroActive Polymer (DEAP) generators has attracted much of the scientific interest over the past few years, mainly due to the advantages that these smart materials offer against competing technologies, as electromagnetic generators and piezoelectrics. Their hig......Energy harvesting via Dielectric ElectroActive Polymer (DEAP) generators has attracted much of the scientific interest over the past few years, mainly due to the advantages that these smart materials offer against competing technologies, as electromagnetic generators and piezoelectrics....... Their higher energy density, superior low-speed performance, light-weighted nature as well as their shapely structure have rendered DEAPs candidate solutions for various actuation and energy harvesting applications. In this paper, a thoroughly analysis of all energy harvesting operational cycles of a DEAP...

  3. The Current Status and Implications of Nuclear Energy Cultural Activities

    International Nuclear Information System (INIS)

    Kim, Dong Won

    2006-01-01

    The Korean nuclear energy community paid a high price in terms of the tremendous social costs incurred in the process of securing a site for mid-to-low radioactive waste disposal facility, indicating that interest in the technical danger of nuclear energy has spread to the realm of people's daily lives. Under the circumstances it is important to raise rational public awareness of nuclear science as a foundation of everyday life through nuclear cultural activities. This study examines the various types of public relations activities of the Korea Nuclear Energy Foundation, an organization in charge of promoting nuclear energy, and explores what activities are required to ensure efficient promotion in accordance with development of nuclear culture

  4. Physical activity recommendations: an alternative approach using energy expenditure.

    Science.gov (United States)

    Mudd, Lanay M; Rafferty, Ann P; Reeves, Mathew J; Pivarnik, James M

    2008-10-01

    Most adults do not meet the American College of Sports Medicine and Centers for Disease Control and Prevention (ACSM/CDC) physical activity recommendations. Even fewer meet the more extreme Institute of Medicine (IOM) physical activity recommendations. Compliance with either recommendation has been conventionally assessed by combining frequencies and durations of self-reported activities. Leisure-time energy expenditure is a cumulative measure of activity that offers an alternative method of defining compliance. To calculate the leisure-time energy expenditure of adults complying with the ACSM/CDC or the IOM physical activity recommendations determined by conventional measures and to reexamine compliance with the IOM recommendation using energy expenditure criteria. National, cross-sectional data from the 2000 Behavioral Risk Factor Surveillance System determined the mode, frequency, and duration of up to two leisure-time activities performed by adults. Four mutually exclusive activity groups (Non-, Low-, ACSM/CDC-, and IOM-Active) were defined on the basis of frequencies and durations of reported activities. Leisure-time energy expenditure (kcal x kg(-1) x wk(-1)) was calculated per respondent. The energy expenditure threshold for meeting the IOM recommendation was calculated as 21 kcal x kg(-1) x wk(-1). Of the 162,669 respondents included in the analyses, 29.9% were Nonactive, whereas 42.3%, 23.3%, and 4.5% were Low-, ACSM/CDC-, and IOM-Active, respectively. Median leisure-time energy expenditure values were 9.0, 27.4, and 63.0 kcal x kg(-1) x wk(-1) for Low-, ACSM/CDC-, and IOM-Active groups, respectively. When using energy expenditure criteria, compliance with the IOM recommendation rose to 27.7% of respondents. Compliance with the IOM physical activity recommendation dramatically increased when assessed by energy expenditure compared with conventional criteria, thereby highlighting the potential bias of conventional methods. A significant proportion of adults

  5. Optical bands and energy levels of Nd{sup 3+} ion in the YAl{sub 3}(BO{sub 3}){sub 4} nonlinear laser crystal

    Energy Technology Data Exchange (ETDEWEB)

    Jaque, D.; Capmany, J.; Garcia Sole, J. [Departamento de Fisica de Materiales, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Luo, Z.D. [Fujian Institute of Research on The Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

    1997-11-03

    In this paper the polarized optical spectra (absorption and fluorescence) of the Nd{sup 3+} ion in the YAl{sub 3}(BO{sub 3}){sub 4} nonlinear crystal have been systematically investigated at low (10 K) and room temperature. Most energy levels of Nd{sup 3+} in this crystal (103) have been identified and conveniently labelled with their crystal field quantum numbers, {mu}=1/2 and {mu}=3/2. The radiative emitting states have been identified. Analysing the optical absorption spectra with the anisotropic Judd-Ofelt theory, the radiative lifetimes and branching ratios from the metastable state {sup 4}F{sub 3/2} have been calculated. Then, relevant spectroscopic parameters (quantum efficiency and emission cross sections) for laser applications have been estimated. Infrared to visible up-conversion is reported for the first time in this host crystal. (author)

  6. Active phase double crystal monochromator for JET (diagnostic system KS1)

    International Nuclear Information System (INIS)

    Andelfinger, C.; Fink, J.; Fussmann, G.; Krause, H.; Roehr, H.; Schilling, H.B.; Schumacher, U.; Becker, P.; Siegert, H.; Abel, P.; Keul, J.

    1984-03-01

    The determination of the impurity concentrations in JET plasmas by absolute radiation measurements in a wide spectral range can be done with a double crystal monochromator device in parallel mode, which is able to operate during all experimental phases of JET. The report describes the engineering design and tests for a double crystal monochromator that fulfills the conditions of parallel orientation of the two crystals during fast wavelength scan, of shielding against neutrons and gamma rays by its folded optical pathway and of sufficient spectral resolution for line profile measurements. (orig.)

  7. Energy expenditure and activity among Hadza hunter-gatherers.

    Science.gov (United States)

    Pontzer, Herman; Raichlen, David A; Wood, Brian M; Emery Thompson, Melissa; Racette, Susan B; Mabulla, Audax Z P; Marlowe, Frank W

    2015-01-01

    Studies of total energy expenditure, (TEE; kcal/day) among traditional populations have challenged current models relating habitual physical activity to daily energy requirements. Here, we examine the relationship between physical activity and TEE among traditional Hadza hunter-gatherers living in northern Tanzania. Hadza adults were studied at two camps, with minimal intervention so as to monitor energy expenditure and activity during normal daily life. We measured daily walking distance and walking speed using wearable GPS units for 41 adults. For a subset of 30 adults, we measured TEE using doubly labeled water, three indices of work load (foraging return rate, maternal status, and number of dependent children), and urinary biomarkers of metabolic activity and stress (8-hydroxydeoxyguanosine, cortisol, and testosterone). Fat-free mass was the single strongest predictor of TEE among Hadza adults (r(2)  = 0.66, P < 0.001). Hadza men used greater daily walking distances and faster walking speeds compared with that of Hadza women, but neither sex nor any measure of physical activity or work load were correlated with TEE in analyses controlling for fat-free mass. Compared with developed, industrial populations, Hadza adults had similar TEE but elevated levels of metabolic stress as measured by 8-hydroxydeoxyguanosine. Our results indicate that daily physical activity may not predict TEE within traditional hunter-gatherer populations like the Hadza. Instead, adults with high levels of habitual physical activity may adapt by reducing energy allocation to other physiological activity. © 2015 Wiley Periodicals, Inc.

  8. International Atomic Energy Agency highlights of activities. 1995

    International Nuclear Information System (INIS)

    1995-09-01

    The IAEA activities are outlined in the following areas: nuclear power, nuclear fuel cycle, radioactive waste management, comparative assessment of energy sources, IAEA laboratories, research and technical cooperation, food and agriculture, human health, industry and earth sciences, physical and chemical sciences, safety of nuclear installations, radiation protection, safeguards and non-proliferation activities, public and technical information

  9. Assessment of the physical activity, body mass index and energy ...

    African Journals Online (AJOL)

    Background: Declining levels of physical activity at workplaces, during leisure time and when travelling, accompanied by increasing exposure to the mass media, are major determinants of the global obesity epidemic. This study aimed to assess physical activity, the body mass index (BMI) and energy intake of human ...

  10. Neutron activation analysis applied to energy and environment

    International Nuclear Information System (INIS)

    Lyon, W.S.

    1975-01-01

    Neutron activation analysis was applied to a number of problems concerned with energy production and the environment. Burning of fossil fuel, the search for new sources of uranium, possible presence of toxic elements in food and water, and the relationship of trace elements to cardiovascular disease are some of the problems in which neutron activation was used. (auth)

  11. Spin rotation and depolarization of high-energy particles in crystals at Hadron Collider (LHC) and Future Circular Collider (FCC) energies and the possibility to measure the anomalous magnetic moments of short-lived particles

    CERN Document Server

    Baryshevsky, V.G.

    2015-01-01

    We study the phenomena of spin rotation and depolarization of high-energy particles in crystals in the range of high energies that will be available at Hadron Collider (LHC) and Future Circular Collider (FCC). It is shown that these phenomena can be used to measure the anomalous magnetic moments of short-lived particles in this range of energies. We also demonstrate that the phenomenon of particle spin depolarization in crystals provides a unique possibility of measuring the anomalous magnetic moment of negatively-charged particles (e.g., beauty baryons), for which the channeling effect is hampered due to far more rapid dechanneling as compared to that for positively-charged particles. Channeling of particles in either straight or bent crystals with polarized nuclei could be used for polarization and the analysis thereof of high-energy particles.

  12. Modeling the isochronal crystallization kinetics

    International Nuclear Information System (INIS)

    Sahay, S.S.; Krishnan, Karthik

    2004-01-01

    The classical Johnson-Mehl-Avrami-Kolmogorov (JMAK) model, originally formulated for the isothermal condition, is often used in conjunction with additivity principle for modeling the non-isothermal crystallization kinetics. This approach at times results in significant differences between the model prediction and experimental data. In this article, a modification to this approach has been imposed via an additional functional relationship between the activation energy and heating rate. The methodology has been validated with experimental isochronal crystallization kinetic data in Se 71 Te 20 Sb 9 glass and Ge 20 Te 80 systems. It has been shown that the functional relationship between heating rate and activation energy, ascribed to the reduction in apparent activation energy due to increasing non-isothermality, provides better phenomenological description and therefore improves the prediction capability of the JMAK model under isochronal condition

  13. A critical discussion of the vacancy diffusion model of ion beam induced epitaxial crystallization

    International Nuclear Information System (INIS)

    Heera, V.

    1989-01-01

    A simple vacancy diffusion model of ion beam induced epitaxial crystallization of silicon including divacancy formation is developed. The model reproduces some of the experimental findings, as e.g. the dose rate dependence of the crystallization rate. However, the measured activation energy of the ion beam induced epitaxial crystallization cannot be accounted for by vacancy diffusion alone. (author)

  14. Crystal structure of an activated variant of small heat shock protein Hsp16.5.

    Science.gov (United States)

    McHaourab, Hassane S; Lin, Yi-Lun; Spiller, Benjamin W

    2012-06-26

    How does the sequence of a single small heat shock protein (sHSP) assemble into oligomers of different sizes? To gain insight into the underlying structural mechanism, we determined the crystal structure of an engineered variant of Methanocaldococcus jannaschii Hsp16.5 wherein a 14 amino acid peptide from human heat shock protein 27 (Hsp27) was inserted at the junction of the N-terminal region and the α-crystallin domain. In response to this insertion, the oligomer shell expands from 24 to 48 subunits while maintaining octahedral symmetry. Oligomer rearrangement does not alter the fold of the conserved α-crystallin domain nor does it disturb the interface holding the dimeric building block together. Rather, the flexible C-terminal tail of Hsp16.5 changes its orientation relative to the α-crystallin domain which enables alternative packing of dimers. This change in orientation preserves a peptide-in-groove interaction of the C-terminal tail with an adjacent β-sandwich, thereby holding the assembly together. The interior of the expanded oligomer, where substrates presumably bind, retains its predominantly nonpolar character relative to the outside surface. New large windows in the outer shell provide increased access to these substrate-binding regions, thus accounting for the higher affinity of this variant to substrates. Oligomer polydispersity regulates sHSPs chaperone activity in vitro and has been implicated in their physiological roles. The structural mechanism of Hsp16.5 oligomer flexibility revealed here, which is likely to be highly conserved across the sHSP superfamily, explains the relationship between oligomer expansion observed in disease-linked mutants and changes in chaperone activity.

  15. Crystal structure of metagenomic β-xylosidase/ α-l-arabinofuranosidase activated by calcium.

    Science.gov (United States)

    Matsuzawa, Tomohiko; Kaneko, Satoshi; Kishine, Naomi; Fujimoto, Zui; Yaoi, Katsuro

    2017-09-01

    The crystal structure of metagenomic β-xylosidase/α-l-arabinofuranosidase CoXyl43, activated by calcium ions, was determined in its apo and complexed forms with xylotriose or l-arabinose in the presence and absence of calcium. The presence of calcium ions dramatically increases the kcat of CoXyl43 for p-nitrophenyl β-d-xylopyranoside and reduces the Michaelis constant for p-nitrophenyl α-l-arabinofuranoside. CoXyl43 consists of a single catalytic domain comprised of a five-bladed β-propeller. In the presence of calcium, a single calcium ion was observed at the centre of this catalytic domain, behind the catalytic pocket. In the absence of calcium, the calcium ion was replaced with one sodium ion and one water molecule, and the positions of these cations were shifted by 1.3 Å. The histidine-319 side chain, which coordinates to the 2-hydroxyl oxygen atom of the bound xylose molecule in the catalytic pocket, also coordinates to the calcium ion, but not to the sodium ion. The calcium-dependent increase in activity appears to be caused by the structural change in the catalytic pocket induced by the tightly bound calcium ion and coordinating water molecules, and by the protonation state of glutamic acid-268, the catalytic acid of the enzyme. Our findings further elucidate the complex relationship between metal ions and glycosidases. © The Authors 2017. Published by Oxford University Press on behalf of the Japanese Biochemical Society. All rights reserved.

  16. Low energy recycling of ionic liquids via freeze crystallization during cellulose spinning

    DEFF Research Database (Denmark)

    Liu, Yanrong; Meyer, Anne S.; Nie, Yi

    2018-01-01

    recycling method. EmimAc + 12.5 wt% H2O and EmimDep + 4 wt% H2O were selected for a quantitative mass and energy analysis of the cellulose spinning and IL recycling process (the maximal initial H2O levels in the ILs + H2O mixtures for cellulose dissolution were determined experimentally). The energy......Dep recycling. We also show that compared to a classical Lyocell fiber production method using N-methylmorpholine-N-oxide (NMMO) as solvent, use of ILs is energy saving in itself. Hence, significantly less H2O is required in the cellulose spinning process with ILs than with NMMO, and in turn less H2O has...

  17. Glass transition, crystallization kinetics and pressure effect on crystallization of ZrNbCuNiBe bulk metallic glass

    DEFF Research Database (Denmark)

    Xing, P.F.; Zhuang, Yanxin; Wang, W.H.

    2002-01-01

    The glass transition behavior and crystallization kinetics of Zr48Nb8Cu14Ni12Be18 bulk metallic glass have been investigated by differential scanning calorimetry and x-ray powder diffraction (XRD). The activation energies of both glass transition and crystallization events have been obtained using...... the Kissinger method. Results indicate that this glass crystallizes by a three-stage reaction: (1) phase separation and primary crystallization of glass, (2) formation of intermetallic compounds, and (3) decomposition of intermetallic compounds and crystallization of residual amorphous phase. The pressure...

  18. BiI3 Crystals for High Energy Resolution Gamma-Ray Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nino, Juan C. [Univ. of Florida, Gainesville, FL (United States); Baciak, James [Univ. of Florida, Gainesville, FL (United States); Johns, Paul [Univ. of Florida, Gainesville, FL (United States); Sulekar, Soumitra [Univ. of Florida, Gainesville, FL (United States); Totten, James [Univ. of Florida, Gainesville, FL (United States); Nimmagadda, Jyothir [Univ. of Florida, Gainesville, FL (United States)

    2017-04-12

    BiI3 had been investigated for its unique properties as a layered compound semiconductor for many decades. However, despite the exceptional atomic, physical, and electronic properties of this material, good resolution gamma ray spectra had never been reported for BiI3. The shortcomings that previously prevented BiI3 from reaching success as a gamma ray sensor were, through this project, identified and suppressed to unlock the performance of this promising compound. Included in this work were studies on a number of methods which have, for the first time, enabled BiI3 to exhibit spectral performance rivaling many other candidate semiconductors for room temperature gamma ray sensors. New approaches to crystal growth were explored that allow BiI3 spectrometers to be fabricated with up to 2.2% spectral resolution at 662 keV. Fundamental studies on trap states, dopant incorporation, and polarization were performed to enhance performance of this compound. Additionally, advanced detection techniques were applied to display the capabilities of high quality BiI3 spectrometers. Overall, through this work, BiI3 has been revealed as a potentially transformative material for nuclear security and radiation detection sciences.

  19. Simple vertex correction improves GW band energies of bulk and two-dimensional crystals

    DEFF Research Database (Denmark)

    Schmidt, Per Simmendefeldt; Patrick, Christopher E.; Thygesen, Kristian Sommer

    2017-01-01

    The GW self-energy method has long been recognized as the gold standard for quasiparticle (QP) calculations of solids in spite of the fact that the neglect of vertex corrections and the use of a density-functional theory starting point lack rigorous justification. In this work we remedy this situ......The GW self-energy method has long been recognized as the gold standard for quasiparticle (QP) calculations of solids in spite of the fact that the neglect of vertex corrections and the use of a density-functional theory starting point lack rigorous justification. In this work we remedy...

  20. Poly (3, 4-ethylendioxithiophene) (PEDOT) oxidation: activation energy and conformational energy

    International Nuclear Information System (INIS)

    Otero, T F; Romero, M C

    2008-01-01

    The oxidation kinetics of films of the conducting polymer PEDOT-C1O4 after electrochemical reduction by polarization at increasing cathodic potential was studied by potential steps. The response i/t presents a maximum at intermediate oxidation times. At the maximum the reaction occurs under chemical kinetic control following the expected current variations from the Chemical and Electrochemical Kinetics, when reactant concentrations or temperatures are changed. The obtained activation energy of the oxidation present two ranges as a function of the cathodic potential of prepolarization: constant values after prepolarization at low cathodic potentials and a lineal variation after prepolarization at increasing high cathodic potentials. According with the conformational relaxation model during electrochemical reduction the polymer shrinks, closes and packs the conformational structure. The activation energy for the subsequent oxidation includes two terms: the constant chemical activation energy and the conformational energy required to relax the packed polymeric structure. The conformational energy only appears after prepolarization at more cathodic potentials than the closing potential where more packed conformations were obtained. The conformational activation energy accounts the energetic requirements to relax and unfold the polymeric chains generating the required free volume to lodge balancing counterions; meanwhile the chemical activation energy accounts the energetic requirements for the electrochemical reaction to occur.

  1. Photonic crystals with plasmonic patterns: novel type of the heterostructures for enhanced magneto-optical activity

    International Nuclear Information System (INIS)

    Khokhlov, N E; Belotelov, V I; Prokopov, A R; Shaposhnikov, A N; Berzhansky, V N; Kozhaev, M A; Andreev, S N; Zvezdin, A K; Ravishankar, Ajith P; Achanta, Venu Gopal; Bykov, D A

    2015-01-01

    A multilayer structure consisting of a magnetophotonic crystal with a rare-earth iron garnet microresonator layer and plasmonic grating deposited on it was fabricated and studied in order to combine functionalities of photonic and plasmonic crystals. The plasmonic pattern allows excitation of the hybrid plasmonic-waveguide modes localized in dielectric Bragg mirrors of the magnetophotonic crystal or waveguide modes inside its microresonator layer. These modes give rise to the additional resonances in the optical spectra of the structure and to the enhancement of the magneto-optical effects. The Faraday effect increases by about 50% at the microresonator modes while the transverse magneto-optical Kerr effect demonstrates pronounced peculiarities at both hybrid waveguide modes and microresonator modes and increases by several times with respect to the case of the bare magnetophotonic crystal without the metal grating. (paper)

  2. Safe Active Scanning for Energy Delivery Systems Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Helms, J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Salazar, B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Scheibel, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Engels, M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Reiger, C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-09-30

    The Department of Energy’s Cybersecurity for Energy Delivery Systems Program has funded Safe(r) Active Scanning for Energy Delivery Systems, led by Lawrence Livermore National Laboratory, to investigate and analyze the impacts of active scanning in the operational environment of energy delivery systems. In collaboration with Pacific Northwest National Laboratory and Idaho National Laboratory, active scans across three testbeds including 38 devices were performed. This report gives a summary of the initial literature survey performed on the SASEDS project as well as industry partner interview summaries and main findings from Phase 1 of the project. Additionally, the report goes into the details of scanning techniques, methodologies for testing, testbed descriptions, and scanning results, with appendices to elaborate on the specific scans that were performed. As a result of testing, a single device out of 38 exhibited problems when actively scanned, and a reboot was required to fix it. This single failure indicates that active scanning is not likely to have a detrimental effect on the safety and resilience of energy delivery systems. We provide a path forward for future research that could enable wide adoption of active scanning and lead utilities to incorporate active scanning as part of their default network security plans to discover and rectify rogue devices, adversaries, and services that may be on the network. This increased network visibility will allow operational technology cybersecurity practitioners to improve their situational awareness of networks and their vulnerabilities.

  3. Solid-State Laser Research Report: Energy Transfer in Non-Uniform Codoped Crystals.

    Science.gov (United States)

    1988-03-01

    mathematical steps reported in this document are contained in the reviewed classified mid-task report P-1970 which is not available to the open...splits the d lvels of the chromium ion such that the "T2 level is considerably higher in energy than the E level. Since the ground-state is A 2 , the E A 2

  4. Playing active video games increases energy expenditure in children.

    Science.gov (United States)

    Graf, Diana L; Pratt, Lauren V; Hester, Casey N; Short, Kevin R

    2009-08-01

    To compare energy expenditure rates in children playing the physically active video games, Dance Dance Revolution (DDR) and Nintendo's Wii Sports in relation to treadmill walking. Energy expenditure, heart rate, step rate, and perceived exertion were measured in 14 boys and 9 girls (ages 10-13 years; BMI at 3-98th percentile for age and gender) while watching television at rest, playing DDR at 2 skill levels, playing Wii bowling and boxing, and walking at 2.6, 4.2, and 5.7 km/h. Arterial elasticity was measured at rest and immediately after gaming. Compared with watching television, energy expenditure while gaming or walking increased 2- to 3-fold. Similarly, high rates of energy expenditure, heart rate, and perceived exertion were elicited from playing Wii boxing, DDR level 2, or walking at 5.7 km/h. This occurred despite variations in step rate among activities, reflecting greater use of upper body during Wii play (lowest step rate) than during walking (highest step rate) or DDR play. Wii bowling and beginner level DDR elicited a 2-fold increase in energy expenditure compared to television watching. Large-artery elasticity declined immediately after both DDR and Wii. The change was inversely related to the increment in energy expenditure above rest achieved during the activity. Energy expenditure during active video game play is comparable to moderate-intensity walking. Thus, for children who spend considerable time playing electronic screen games for entertainment, physically active games seem to be a safe, fun, and valuable means of promoting energy expenditure.

  5. Energy policy fundamentals research programme - Activities and projects in 2002

    International Nuclear Information System (INIS)

    Meier, R.; Previdoli, P.

    2003-01-01

    This annual report for the Swiss Federal Office of Energy reviews the activities and projects carried out within the Swiss Confederation's Energy Policy Fundamentals Research programme during 2002. The programme's main centres of activity are described, including projects involving the acquisition of data on indicators of selected cantonal energy saving measures, the possibility of reducing carbon dioxide emissions by influencing fuel prices, new construction instead of refurbishment of buildings, internalisation of risks involved with nuclear power and the marginal costs of intensified energy-efficiency measures. In the technology monitoring area, the results of studies concerning combined heat and power systems, heat pumps and fuel cells are reviewed. Further projects are described in the building and fuel supply areas and the influence of wind power on European peak power requirements is examined. Marketing aspects concerning the thermal use of solar energy and low energy consumption housing are discussed, as is the promotion of energy efficiency in housing and industry. Also local and regional efforts being made in the energy policy area are described. The report is rounded off with a list of the various projects mentioned in the report and appropriate contact information

  6. 2011 activity report of the national energy ombudsman

    International Nuclear Information System (INIS)

    Merville, Denis; Lechevin, Bruno; Le Tallec, Marie-Francoise; Ladoucette, Philippe de; Brottes, Francois; Bazot, Alain; Poniatowski, Ladislas; Cohen, Elsa; Loos, Francois; Lapostolet, Bertrand; Kosciusko-Morizet, Nathalie; Besson, Eric; Bellon, Michele; Aldebert, Marc; Chone, Fabien; Herve, Jean-Pierre; Roberton, Alain; Goyens, Monique; Mogg, John

    2012-01-01

    The national energy ombudsman is an independent administrative authority set up by the law of 7 December 2006 governing the liberalisation of the French gas and electricity markets. Consumers fund its activities by way of a fee levied on electricity bills. The national energy ombudsman is a unique mediation service in France and is the only public institution in the consumer sector to have the remit of seeking alternative settlements to disputes in accordance with European directives. The national energy ombudsman's role is to recommend solutions to disputes 'arising from the execution of supply contracts' between energy market operators and their private consumer or small business clients. The legislator has also invested the ombudsman with the remit of participating in the process of informing consumers of their rights. The ombudsman proposes straightforward and equitable solutions to disputes referred to it and formulates recommendations based on an in-depth legal and technical analysis, during which it may call for comments on the part of the stakeholders involved, within a set deadline. While its recommendations have no binding effect on operators, the latter are obliged to keep the ombudsman informed of their follow-up action within a maximum period of two months. This report summarizes the 2011 national energy ombudsman's activity in the domains of consumer protection, energy markets, Combat against energy poverty, mediation, market improvement, development of smart meters for consumers' real-time information, recommendations to the Minister of Energy etc

  7. A hydrazone Schiff base single crystal (E)-Methyl N"′-(3,4,5-trimethoxybenzylidene) hydrazine carboxylate: Physicochemical, in vitro investigation of antimicrobial activities and molecular docking with DNA gyrase protein

    International Nuclear Information System (INIS)

    Gomathi, G.; Gopalakrishnan, R.

    2016-01-01

    Hydrazone Schiff bases have been widely explored for their antimicrobial, anticancer, anticonvulsant properties. The aim of the present work is to investigate the spectroscopic, electrochemical, thermal properties, in vitro study of antimicrobial activity and molecular docking studies of the MBHC compound. Slow evaporation solution growth technique was used to grow the single crystal of the MBHC compound. Single crystal X-ray diffraction, FTIR and FT-Raman spectroscopic studies are performed and confirmed the grown MBHC compound. UV–Vis spectroscopy and electrochemical studies deduced the absorption region and HOMO-LUMO band gap value of the compound. Resazurin reduction assay method was utilized to perform antibacterial and antifungal studies which resulted in lesser effectiveness of the MBHC compound compared to the erythromycin and fluconazole tablets. Molecular docking of the MBHC compound with the DNA gyrase protein exhibited the good binding affinity with energy of − 43.196 kcal/mol and docking score of − 6.266 and having good interaction with aminoacids – ASP81 and ARG84. - Highlights: • MBHC single crystal was grown by employing slow evaporation solution growth technique. • The compound crystallizes in monoclinic crystal system with space group P2_1/c. • The HOMO-LUMO band gap value was found to be 1.96 eV. • The compound has lesser antimicrobial activity when compared to erythromycin and fluconazole. • MBHC shows better binding affinity towards DNA gyrase protein.

  8. A hydrazone Schiff base single crystal (E)-Methyl N{sup ′}-(3,4,5-trimethoxybenzylidene) hydrazine carboxylate: Physicochemical, in vitro investigation of antimicrobial activities and molecular docking with DNA gyrase protein

    Energy Technology Data Exchange (ETDEWEB)

    Gomathi, G.; Gopalakrishnan, R., E-mail: krgkrishnan@annauniv.edu

    2016-07-01

    Hydrazone Schiff bases have been widely explored for their antimicrobial, anticancer, anticonvulsant properties. The aim of the present work is to investigate the spectroscopic, electrochemical, thermal properties, in vitro study of antimicrobial activity and molecular docking studies of the MBHC compound. Slow evaporation solution growth technique was used to grow the single crystal of the MBHC compound. Single crystal X-ray diffraction, FTIR and FT-Raman spectroscopic studies are performed and confirmed the grown MBHC compound. UV–Vis spectroscopy and electrochemical studies deduced the absorption region and HOMO-LUMO band gap value of the compound. Resazurin reduction assay method was utilized to perform antibacterial and antifungal studies which resulted in lesser effectiveness of the MBHC compound compared to the erythromycin and fluconazole tablets. Molecular docking of the MBHC compound with the DNA gyrase protein exhibited the good binding affinity with energy of − 43.196 kcal/mol and docking score of − 6.266 and having good interaction with aminoacids – ASP81 and ARG84. - Highlights: • MBHC single crystal was grown by employing slow evaporation solution growth technique. • The compound crystallizes in monoclinic crystal system with space group P2{sub 1}/c. • The HOMO-LUMO band gap value was found to be 1.96 eV. • The compound has lesser antimicrobial activity when compared to erythromycin and fluconazole. • MBHC shows better binding affinity towards DNA gyrase protein.

  9. A Novel Energy-Efficient Approach for Human Activity Recognition.

    Science.gov (United States)

    Zheng, Lingxiang; Wu, Dihong; Ruan, Xiaoyang; Weng, Shaolin; Peng, Ao; Tang, Biyu; Lu, Hai; Shi, Haibin; Zheng, Huiru

    2017-09-08

    In this paper, we propose a novel energy-efficient approach for mobile activity recognition system (ARS) to detect human activities. The proposed energy-efficient ARS, using low sampling rates, can achieve high recognition accuracy and low energy consumption. A novel classifier that integrates hierarchical support vector machine and context-based classification (HSVMCC) is presented to achieve a high accuracy of activity recognition when the sampling rate is less than the activity frequency, i.e., the Nyquist sampling theorem is not satisfied. We tested the proposed energy-efficient approach with the data collected from 20 volunteers (14 males and six females) and the average recognition accuracy of around 96.0% was achieved. Results show that using a low sampling rate of 1Hz can save 17.3% and 59.6% of energy compared with the sampling rates of 5 Hz and 50 Hz. The proposed low sampling rate approach can greatly reduce the power consumption while maintaining high activity recognition accuracy. The composition of power consumption in online ARS is also investigated in this paper.

  10. Optical energy gaps and photoluminescence peaks of BaGa2S4:Er3+ and BaGa2Se4:Er3+ single crystals

    International Nuclear Information System (INIS)

    Choe, Sung-Hyu; Jin, Moon-Seog; Kim, Wha-Tek

    2005-01-01

    BaGa 2 S 4 :Er 3+ and BaGa 2 Se 4 :Er 3+ single crystals were grown by using the chemical transport reaction method. The optical energy gaps of the BaGa 2 S 4 :Er 3+ and the BaGa 2 Se 4 :Er 3+ single crystals were found to be 4.045 eV and 3.073 eV, respectively, at 11 K. The temperature dependence of the optical energy gap was well fitted by the Varshni equation. Sharp emission peaks were observed in the photoluminescence spectra of the single crystals and assigned to radiation recombination between split Stark levels of the Er 3+ ion.

  11. Features of the core-valence luminescence and electron energy band structure of A1-xCsxCaCl3 (A = K,Rb) crystals

    International Nuclear Information System (INIS)

    Chornodolskyy, Ya; Stryganyuk, G; Syrotyuk, S; Voloshinovskii, A; Rodnyi, P

    2007-01-01

    From luminescence spectroscopy of CsCaCl 3 , Rb 1-x Cs x CaCl 3 and K 1-x Cs x CaCl 3 crystals, we have found evidence for intrinsic and impurity core-valence luminescence due to the radiative recombination of valence electrons with the holes of intrinsic or impurity 5p Cs + core states. The structural similarity of core-valence luminescence spectra has been revealed for the A 1-x Cs x CaCl 3 (A = K,Rb) crystals investigated. The electron energy structure of the CsCaCl 3 crystal has been calculated using the pseudopotential approach taking into account the gradient corrections for the exchange-correlation energy. The calculated density of the electronic states of CsCaCl 3 has been compared with corresponding parameters obtained from the analysis of core-valence luminescence spectra

  12. Energy expenditure during sexual activity in young healthy couples.

    Directory of Open Access Journals (Sweden)

    Julie Frappier

    Full Text Available OBJECTIVE: To determine energy expenditure in kilocalories (kcal during sexual activity in young healthy couples in their natural environment and compare it to a session of endurance exercise. METHODS: The study population consisted of twenty one heterosexual couples (age: 22.6 ± 2.8 years old from the Montreal region. Free living energy expenditure during sexual activity and the endurance exercise was measured using the portable mini SenseWear armband. Perceived energy expenditure, perception of effort, fatigue and pleasure were also assessed after sexual activity. All participants completed a 30 min endurance exercise session on a treadmill at a moderate intensity. RESULTS: Mean energy expenditure during sexual activity was 101 kCal or 4.2 kCal/min in men and 69.1 kCal or 3.1 kCal/min in women. In addition, mean intensity was 6.0 METS in men and 5.6 METS in women, which represents a moderate intensity. Moreover, the energy expenditure and intensity during the 30 min exercise session in men was 276 kCal or 9.2 kCal/min and 8.5 METS, respectively and in women 213 kCal or 7.1 kCal/min and 8.4 METS, respectively. Interestingly, the highest range value achieved by men for absolute energy expenditure can potentially be higher than that of the mean energy expenditure of the 30 min exercise session (i.e. 306.1 vs. 276 kCal, respectively whereas this was not observed in women. Finally, perceived energy expenditure during sexual activity was similar in men (100 kCal and in women (76.2 kCal when compared to measured energy expenditure. CONCLUSION: The present study indicates that energy expenditure during sexual activity appears to be approximately 85 kCal or 3.6 kCal/min and seems to be performed at a moderate intensity (5.8 METS in young healthy men and women. These results suggest that sexual activity may potentially be considered, at times, as a significant exercise.

  13. GW correlation effects on plutonium quasiparticle energies: Changes in crystal-field splitting

    DEFF Research Database (Denmark)

    Chantis, A.N.; Albers, R.C.; Svane, Axel

    2009-01-01

    We present results for the electronic structure of plutonium by using a recently developed quasiparticle self-consistent GW method (QSGW). We consider a paramagnetic solution without spin-orbit interaction as a function of volume for the face-centred cubic (fcc) unit cell. We span unit-cell volumes...... ranging from 10% greater than the equilibrium volume of the δ phase to 90% of the equivalent for the α phase of Pu. The selfconsistent GW quasiparticle energies are compared to those obtained within the Local Density Approximation (LDA). The goal of the calculations is to understand systematic trends...... in the effects of electronic correlations on the quasiparticle energy bands of Pu as a function of the localisation of the f orbitals. We show that correlation effects narrow the f bands in two significantly different ways. Besides the expected narrowing of individual f bands (flatter dispersion), we find...

  14. Positron and electron energy bands in several ionic crystals using restricted Hartree-Fock method

    Science.gov (United States)

    Kunz, A. B.; Waber, J. T.

    1981-08-01

    Using a restricted Hartree-Fock formalism and suitably localized and symmetrized wave functions, both the positron and electron energy bands were calculated for NaF, MgO and NiO. The lowest positron state at Γ 1 lies above the vacuum level and negative work functions are predicted. Positron annihilation rates were calculated and found to be in good agreement with measured lifetimes.

  15. Investigation on structural aspects of ZnO nano-crystal using radio-active ion beam and PAC

    Energy Technology Data Exchange (ETDEWEB)

    Ganguly, Bichitra Nandi, E-mail: bichitra.ganguly@saha.ac.in [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Dutta, Sreetama; Roy, Soma [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Röder, Jens [Physics Department, ISOLDE/CERN, Geneva (Switzerland); Physical Chemistry, RWTH-Aachen, Aachen (Germany); Johnston, Karl [Physics Department, ISOLDE/CERN, Geneva (Switzerland); Experimental Physics, University of the Saarland, Saarbrücken (Germany); Martin, Manfred [Physical Chemistry, RWTH-Aachen, Aachen (Germany)

    2015-11-01

    Nano-crystalline ZnO has been studied with perturbed angular correlation using {sup 111m}Cd, implanted at ISOLDE/CERN and X-ray diffraction using Rietveld analysis. The data show a gradual increase in the crystal size and stress for a sample annealed at 600 °C, and reaching nearly properties of standard ZnO with tempering at 1000 °C. The perturbed angular correlation data show a broad frequency distribution at low annealing temperatures and small particle sizes, whereas at high annealing temperature and larger crystal sizes, results similar to bulk ZnO have been obtained. The ZnO nano-crystalline samples were initially prepared through a wet chemical route, have been examined by Fourier Transform Infrared Spectroscopy (FT-IR) and chemical purity has been confirmed with Energy Dispersive X-ray (EDAX) analysis as well as Transmission Electron Microscopy (TEM).

  16. Engagement, enjoyment, and energy expenditure during active video game play.

    Science.gov (United States)

    Lyons, Elizabeth J; Tate, Deborah F; Ward, Dianne S; Ribisl, Kurt M; Bowling, J Michael; Kalyanaraman, Sriram

    2014-02-01

    Playing active video games can produce moderate levels of physical activity, but little is known about how these games motivate players to be active. Several psychological predictors, such as perceptions of competence, control, and engagement, may be associated with enjoyment of a game, which has in turn been hypothesized to predict energy expended during play. However, these relationships have yet to be tested in active video games. Young adults aged 18-35 (N = 97, 50 female) game for 13 minutes while energy expenditure was measured using indirect calorimetry. Self-reported measures of engagement, perceived competence, perceived control, and enjoyment were taken immediately afterward. Mediation was analyzed using path analysis. A path model in which enjoyment mediated the effects of engagement, perceived competence, and perceived control on energy expenditure and BMI directly affected energy expenditure was an adequate fit to the data, χ(2)(1, N = 97) = .199, p = .655; CFI = 1.00; RMSEA video game play. Games that are more enjoyable and engaging may produce greater intensity activity. Developers, practitioners, and researchers should consider characteristics that influence these predictors when creating or recommending active video games. PsycINFO Database Record (c) 2014 APA, all rights reserved.

  17. Cellular Links between Neuronal Activity and Energy Homeostasis.

    Science.gov (United States)

    Shetty, Pavan K; Galeffi, Francesca; Turner, Dennis A

    2012-01-01

    Neuronal activity, astrocytic responses to this activity, and energy homeostasis are linked together during baseline, conscious conditions, and short-term rapid activation (as occurs with sensory or motor function). Nervous system energy homeostasis also varies during long-term physiological conditions (i.e., development and aging) and with adaptation to pathological conditions, such as ischemia or low glucose. Neuronal activation requires increased metabolism (i.e., ATP generation) which leads initially to substrate depletion, induction of a variety of signals for enhanced astrocytic function, and increased local blood flow and substrate delivery. Energy generation (particularly in mitochondria) and use during ATP hydrolysis also lead to considerable heat generation. The local increases in blood flow noted following neuronal activation can both enhance local substrate delivery but also provides a heat sink to help cool the brain and removal of waste by-products. In this review we highlight the interactions between short-term neuronal activity and energy metabolism with an emphasis on signals and factors regulating astrocyte function and substrate supply.

  18. Cellular Links Between Neuronal Activity and Energy Homeostasis

    Directory of Open Access Journals (Sweden)

    Pavan K Shetty

    2012-03-01

    Full Text Available Neuronal activity, astrocytic responses to this activity, and energy homeostasis are linked together during baseline, conscious conditions, and short-term rapid activation (as occurs with sensory or motor function. Nervous system energy homeostasis also varies during long-term physiological conditions (ie, development and aging and with adaptation to pathological conditions, such as ischemia or low glucose. Neuronal activation requires increased metabolism (i.e., ATP generation which leads initially to substrate depletion, induction of a variety of signals for enhanced astrocytic function, and increased local blood flow and substrate delivery. Energy generation (particularly in mitochondria and use during ATP hydrolysis also lead to considerable heat generation. The local increases in blood flow noted following neuronal activation can both enhance local substrate delivery but also provides a heat sink to help cool the brain and removal of waste byproducts. In this review we highlight the interactions between short-term neuronal activity and energy metabolism with an emphasis on signals and factors regulating astrocyte function and substrate supply.

  19. Energy efficiency and human activity: Past trends, future prospects

    International Nuclear Information System (INIS)

    Schipper, L.; Meyers, S.; Howarth, R.B.; Steiner, R.

    1992-01-01

    This book, sponsored by the Stockholm Environmental Institute (SEI), presents a detailed analysis of changes in world energy use over the past twenty years. It considers the future prospects of energy demand, and discusses ways of restraining growth in consumption in order to meet environmental and economic development goals. Based on a decade of research by the authors and their colleagues at Lawrence Berkeley Laboratory in collaboration with the SEI, it presents information on energy use and the forces shaping it in the industrial, developing, and formerly planned economies. Looking separately at industry, passenger travel, freight transport, and the residential and service sectors, the authors describe the impact on energy use of growth in activity, structural change, and change in energy intensities, and discuss the role of energy prices and energy conservation policies in the industrial countries and the former Soviet Union. The book presents an overview of the potential for improving energy efficiency, and discusses the policies that could help realize the potential. While calling for strong action by governments and the private sector, the authors stress the importance of considering the full range of factors that will shape realization of the energy efficiency potential around the world

  20. Syntheses, spectroscopic characterization, crystal structure and natural rubber vulcanization activity of new disulfides derived from sulfonyldithiocarbimates

    Science.gov (United States)

    Alves, Leandro de Carvalho; Rubinger, Mayura Marques Magalhães; Tavares, Eder do Couto; Janczak, Jan; Pacheco, Elen Beatriz Acordi Vasques; Visconte, Leila Lea Yuan; Oliveira, Marcelo Ribeiro Leite

    2013-09-01

    The compounds (Bu4N)2[(4-RC6H4SO2NCS2)2] [Bu4N = tetrabutylammonium cation; R = H (1), F (2), Cl (3) and Br (4)] and (Ph4P)2[(4-RC6H4SO2NCS2)2]ṡH2O [Ph4P = tetraphenylphosphonium cation and R = I (5)] were synthesized by the reaction of the potassium dithiocarbimates (4-RC6H4SO2NCS2K2ṡ2H2O) with I2 and Bu4NBr or Ph4PCl. The IR data were consistent with the formation of the dithiocarbimatodisulfides anions. The NMR spectra showed the expected signals for the cations and anions in a 2:1 proportion. The structures of compounds 1-5 were determined by the single crystal X-ray diffraction. The compounds 2, 3 and 4 are isostructural and crystallise in the centrosymmetric space group C2/c of the monoclinic system. Compound 1 crystallises in the monoclinic system in the space group of P21/n and the compound 5 crystallises in the centrosymmetric space group P-1 of the triclinic system. The complex anions of compounds 2, 3 and 4 exhibit similar conformations having twofold symmetry, while in 1 and 5 the anions exhibit C1 symmetry. The activity of the new compounds in the vulcanization of the natural rubber was evaluated and compared to the commercial accelerators ZDMC, TBBS and TMTD. These studies confirm that the sulfonyldithiocarbimato disulfides anions are new vulcanization accelerators, being slower than the commercial accelerators, but producing a greater degree of crosslinking, and scorch time values compatible with good processing safety for industrial applications. The mechanical properties, stress and tear resistances were determined and compared to those obtained with the commercial accelerators.

  1. Geomagnetic activity effects on plasma sheet energy conversion

    Directory of Open Access Journals (Sweden)

    M. Hamrin

    2010-10-01

    Full Text Available In this article we use three years (2001, 2002, and 2004 of Cluster plasma sheet data to investigate what happens to localized energy conversion regions (ECRs in the plasma sheet during times of high magnetospheric activity. By examining variations in the power density, E·J, where E is the electric field and J is the current density obtained by Cluster, we have studied the influence on Concentrated Load Regions (CLRs and Concentrated Generator Regions (CGRs from variations in the geomagnetic disturbance level as expressed by the Kp, the AE, and the Dst indices. We find that the ECR occurrence frequency increases during higher magnetospheric activities, and that the ECRs become stronger. This is true both for CLRs and for CGRs, and the localized energy conversion therefore concerns energy conversion in both directions between the particles and the fields in the plasma sheet. A higher geomagnetic activity hence increases the general level of energy conversion in the plasma sheet. Moreover, we have shown that CLRs live longer during magnetically disturbed times, hence converting more electromagnetic energy. The CGR lifetime, on the other hand, seems to be unaffected by the geomagnetic activity level. The evidence for increased energy conversion during geomagnetically disturbed times is most clear for Kp and for AE, but there are also some indications that energy conversion increases during large negative Dst. This is consistent with the plasma sheet magnetically mapping to the auroral zone, and therefore being more tightly coupled to auroral activities and variations in the AE and Kp indices, than to variations in the ring current region as described by the Dst index.

  2. Vacancy formation energies in close-packed crystals correlated with melting temperature via thermodynamics and liquid structure

    International Nuclear Information System (INIS)

    Rashid, R.I.M.A.; March, N.H.

    1988-08-01

    In earlier work, the vacancy formation energy E v in close-packed crystals, in units of the thermal energy k B T m at the melting temperature T m , has been connected with compressibility and specific heats, plus terms dependent on the liquid structure at T m . Here, this connection has been examined quantitatively for (a) the insulating condensed rare gases Ne, Ar and Kr, and (b) a variety of close-packed metals. For case (a), E v /k B T m can be calculated directly from thermodynamic data to obtain agreement with experiment for Ar and Kr, though not for Ne. A 'residual' contribution is estimated for Ar and Kr from diffraction and computer experiments on the density dependence of the liquid pair correlation function and is shown to be very small. Agreement is less impressive for case (b) for the eight close-packed metals for which all data required is known, the thermodynamic formula giving an average value E v /k B T m =7.8+-1.1 whereas experiment yields 9.4+-1.8. However, for the body-centred cubic alkalis the thermodynamic average value of 4.5+-0.5 is much lower than the experimental value 11.5+-2.0 consistent with the known role of ionic relaxation round the vacancy in such open structures. (author). 16 refs, 2 tabs

  3. Strain energy storage and dissipation rate in active cell mechanics

    Science.gov (United States)

    Agosti, A.; Ambrosi, D.; Turzi, S.

    2018-05-01

    When living cells are observed at rest on a flat substrate, they can typically exhibit a rounded (symmetric) or an elongated (polarized) shape. Although the cells are apparently at rest, the active stress generated by the molecular motors continuously stretches and drifts the actin network, the cytoskeleton of the cell. In this paper we theoretically compare the energy stored and dissipated in this active system in two geometric configurations of interest: symmetric and polarized. We find that the stored energy is larger for a radially symmetric cell at low activation regime, while the polar configuration has larger strain energy when the active stress is beyond a critical threshold. Conversely, the dissipation of energy in a symmetric cell is always larger than that of a nonsymmetric one. By a combination of symmetry arguments and competition between surface and bulk stress, we argue that radial symmetry is an energetically expensive metastable state that provides access to an infinite number of lower-energy states, the polarized configurations.

  4. Concanavalin A-binding cholesterol crystallization inhibiting and promoting activity in bile from patients with Crohn's disease compared to patients with ulcerative colitis.

    Science.gov (United States)

    Keulemans, Y C; Mok, K S; Slors, J F; Brink, M A; Gouma, D J; Tytgat, G N; Groen, A K

    1999-10-01

    Crohn's disease is a risk factor for gallstone formation. In contrast, patients with ulcerative colitis have an incidence of gallstone formation comparable to the general population. The reason for this difference is not known. The aim of this study was to elucidate the factors controlling cholesterol crystallization in gallbladder bile of Crohn's disease and ulcerative colitis patients. Gallbladder bile was obtained by aspiration during bowel resections (26 Crohn's disease patients, 20 ulcerative colitis patients). Biliary lipid composition, crystal detection time and the effect of extraction of the concanavalin A-binding fraction on crystal formation were determined. Cholesterol crystals were present in seven of the 26 bile samples of Crohn's disease-patients and one of the 20 ulcerative colitis patients. Four of the bile samples of Crohn's disease patients were fast nucleating. None of the 20 ulcerative colitis patients had fast nucleating bile. Lipid composition, total lipid concentration and CSI were not significantly different between the two groups. In Crohn's disease patients extraction of concanavalin A-binding fraction decreased crystallization in 10 bile samples but accelerated crystallization in one bile sample. In eight bile samples from ulcerative colitis patients crystallization increased after concanavalin A-binding fraction extraction. Compared to ulcerative colitis patients, gallbladder bile of Crohn's disease patients showed increased cholesterol crystallization despite comparable lipid composition and cholesterol saturation index. This difference is caused by increased cholesterol crystallization-promoting activity. Bile from ulcerative colitis patients contains a Con A-binding factor which inhibits cholesterol crystallization.

  5. TRADING ACTIVITY AND PRICES IN ENERGY FUTURES MARKET

    Directory of Open Access Journals (Sweden)

    Aysegul Ates

    2016-04-01

    Full Text Available This paper aims to examine trading activity and the relationship between futures trading activity by trader type and energy price movements in three energy futures markets –natural gas, crude oil and heating oil. We find that the level of net positions of speculators are positively related to future returns and in contrast net positions of hedgers are negatively related to futures price changes in all three markets. The changes in net positions are relatively more informative compare to the level of net positions in predicting price changes in related markets.

  6. Graphical analysis of processes with multiple activation energies

    International Nuclear Information System (INIS)

    Lachter, J.; Bragg, R.H.; Close, E.

    1986-01-01

    The activation energies characterizing a kinetic process are derived from the slopes of the Arrhenius diagrams obtained by plotting rate constants versus reciprocal temperature. Those rate constants correspond to the shifts along the time axis needed to superpose the successive isotherms. A general method based on Chebyshev interpolation is proposed for the optimization of the superposition of the experimental data points. This method is applied to determine the activation energies of the graphitization kinetics of the interlayer spacings of pitch coke and pyrocarbon samples

  7. Annual activity report of Atomic Energy Organization of Iran

    International Nuclear Information System (INIS)

    1976-07-01

    The second year activities of Atomic Energy Organization of Iran (AEOI) was reported as follows: Activites of two R and D centres at Tehran, and one in Isfahan which is concentrated on technical and industrial problems of nuclear power plant; site selection from geographical, geological and environmental points of view; nuclear power construction in the vicinity of Bushehr; supply and quantity survey of nuclear fuel for the next 20 years and the activity program of AEOI on nuclear safety. This report also included nuclear information centre activities plus administrative organization and international relations activities

  8. Energy expenditure while playing active and inactive video games.

    Science.gov (United States)

    Leatherdale, Scott T; Woodruff, Sarah J; Manske, Stephen R

    2010-01-01

    To examine energy expenditure (EE) when playing active and inactive videogames (VG). Predicted EE was measured among 51 undergraduate students while playing active and inactive VG (Ontario, Canada). Predicted EE was significantly higher playing the active VG compared to the inactive VG according to heart rate monitor (97.4 kcal vs 64.7 kcal) and SenseWear armband (192.4 kcal vs 42.3 kcal) estimates. Active VG may be a viable intervention tool for increasing EE among students who would otherwise be spending time in sedentary screen-based behaviors.

  9. High energy supercontinuum sources using tapered photonic crystal fibers for multispectral photoacoustic microscopy

    DEFF Research Database (Denmark)

    Bondu, Magalie; Brooks, Christopher; Jakobsen, Christian

    2016-01-01

    We demonstrate a record bandwidth high energy supercontinuum source suitable for multispectral photoacoustic microscopy. The source has more than 150  nJ/10  nm150  nJ/10  nm bandwidth over a spectral range of 500 to 1600 nm. This performance is achieved using a carefully designed fiber taper...... with large-core input for improved power handling and small-core output that provides the desired spectral range of the supercontinuum source....

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

    CERN Document Server

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

    2002-01-01

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

  11. Current radiation protection activities of the International Atomic Energy Agency

    International Nuclear Information System (INIS)

    Webb, G.A.M.

    1996-01-01

    The International Atomic Energy Agency (IAEA) program of the Radiation Safety Section is described in this paper. The Section has two main components: (1) the development of consensus safety documentation and (2) the use of that documentation as the basis for assisting countries to deal safely with their applications of radiation and radioactivity. Main activities of the section are listed for each of these components. Activities include documentation, coordinated research programs, and assistance to developing countries. 14 tabs

  12. Proper surface channelling of low energy argon ions incident on a nickel (110) crystal

    International Nuclear Information System (INIS)

    Evdokimov, I.N.; Berg, J.A. van den; Armour, D.G.

    1979-01-01

    The scattering behaviour of 6 keV argon ions from a nickel (110) surface has been investigated for specular reflection under grazing incidence conditions. The occurrence of an anomalously high energy loss has been confirmed and the transition from chain scattering at large scattering angles to a distinctly different type of scattering at small angles has been investigated. The characteristics of the low angle scattering phenomena, which dominate the observed spectra at scattering angles below about 18 0 , may be explained in terms of a surface hyperchannelling model in which the incident ions are confined to move within the shallow 'potential valleys' between two atomic rows in the surface. The critical angle for occurrence of this phenomena which is distinctly different from surface semichannelling has been evaluated with Lindhard's standard string potential. The experimentally measured critical angles are in good agreement with the calculated ones. (author)

  13. 2D and 3D photonic crystal materials for photocatalysis and electrochemical energy storage and conversion

    Science.gov (United States)

    Collins, Gillian; Armstrong, Eileen; McNulty, David; O’Hanlon, Sally; Geaney, Hugh; O’Dwyer, Colm

    2016-01-01

    Abstract This perspective reviews recent advances in inverse opal structures, how they have been developed, studied and applied as catalysts, catalyst support materials, as electrode materials for batteries, water splitting applications, solar-to-fuel conversion and electrochromics, and finally as photonic photocatalysts and photoelectrocatalysts. Throughout, we detail some of the salient optical characteristics that underpin recent results and form the basis for light-matter interactions that span electrochemical energy conversion systems as well as photocatalytic systems. Strategies for using 2D as well as 3D structures, ordered macroporous materials such as inverse opals are summarized and recent work on plasmonic–photonic coupling in metal nanoparticle-infiltrated wide band gap inverse opals for enhanced photoelectrochemistry are provided. PMID:27877904

  14. Commission for Energy regulation (CRE) - Activity report June 2007

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2007-07-01

    CRE is the French commission for energy regulation. CRE's remit is to assist in ensuring the proper operation of the electricity and natural gas markets for the benefit of the end-user. In particular, CRE ensures that the conditions of access to electricity and natural gas transmission and distribution systems do not hinder the development of competition. It monitors, for the electricity and natural gas sectors, all transactions made between suppliers, traders and producers, all transactions made on the organised markets and cross-border trading. It ensures that suppliers, traders and producers propose offers that are consistent with their financial and technical constraints. It monitors the implementation of and compliance with regulations giving consumers the right to choose their supplier in a competitive market, and allowing new suppliers to enter the market. This document is the 2007 activity report of CRE. Content: A - Towards a single European energy market: Birth of a single European energy market (Origins of Europe of Energy, Emergence of a European energy policy); Main European Community guiding lines (European governance as regards energy, Guiding principles for the internal energy market); European Community activities (European Commission reports, Electricity and gas Regional Initiatives); Organisation and coordination of European regulators (Joint organisation of European regulators, CRE's relations with European Community institutions); CRE's European activities (Regional integration of gas markets, Regional integration of electricity markets, Operation of the European interconnected electricity grid and security of supply, CRE's other European activities); B - CRE action at national level: Grids/networks and infrastructures (General information, Electricity grids, Regulation of gas networks and infrastructures); Markets (Changes in the regulatory and legislative contexts of electricity and natural gas markets, Electricity markets

  15. Commission for Energy regulation (CRE) - Activity report June 2007

    International Nuclear Information System (INIS)

    2007-01-01

    CRE is the French commission for energy regulation. CRE's remit is to assist in ensuring the proper operation of the electricity and natural gas markets for the benefit of the end-user. In particular, CRE ensures that the conditions of access to electricity and natural gas transmission and distribution systems do not hinder the development of competition. It monitors, for the electricity and natural gas sectors, all transactions made between suppliers, traders and producers, all transactions made on the organised markets and cross-border trading. It ensures that suppliers, traders and producers propose offers that are consistent with their financial and technical constraints. It monitors the implementation of and compliance with regulations giving consumers the right to choose their supplier in a competitive market, and allowing new suppliers to enter the market. This document is the 2007 activity report of CRE. Content: A - Towards a single European energy market: Birth of a single European energy market (Origins of Europe of Energy, Emergence of a European energy policy); Main European Community guiding lines (European governance as regards energy, Guiding principles for the internal energy market); European Community activities (European Commission reports, Electricity and gas Regional Initiatives); Organisation and coordination of European regulators (Joint organisation of European regulators, CRE's relations with European Community institutions); CRE's European activities (Regional integration of gas markets, Regional integration of electricity markets, Operation of the European interconnected electricity grid and security of supply, CRE's other European activities); B - CRE action at national level: Grids/networks and infrastructures (General information, Electricity grids, Regulation of gas networks and infrastructures); Markets (Changes in the regulatory and legislative contexts of electricity and natural gas markets, Electricity markets, Natural gas

  16. Mechanical Control of ATP Synthase Function: Activation Energy Difference between Tight and Loose Binding Sites

    KAUST Repository

    Beke-Somfai, Tamás

    2010-01-26

    Despite exhaustive chemical and crystal structure studies, the mechanistic details of how FoF1-ATP synthase can convert mechanical energy to chemical, producing ATP, are still not fully understood. On the basis of quantum mechanical calculations using a recent highresolution X-ray structure, we conclude that formation of the P-O bond may be achieved through a transition state (TS) with a planar PO3 - ion. Surprisingly, there is a more than 40 kJ/mol difference between barrier heights of the loose and tight binding sites of the enzyme. This indicates that even a relatively small change in active site conformation, induced by the γ-subunit rotation, may effectively block the back reaction in βTP and, thus, promote ATP. © 2009 American Chemical Society.

  17. Assessment of physical activity, energy expenditure and energy intakes of young men practicing aerobic sports.

    Science.gov (United States)

    Wierniuk, Alicja; Włodarek, Dariusz

    2014-01-01

    Adequate nutrition and energy intake play key rule during the training period and recovery time. The assessment of athlete's energetic needs should be calculated individually, based on personal energy expenditure and Sense Wear PRO3 Armband (SWA) mobile monitor is a useful tool to achieve this goal. However, there is still few studies conducted with use of this monitor. To assess individual energy needs of athletes by use of SWA and to determine whether their energy intake fulfils the body's energy expenditure. Subjects were 15 male students attending Military University of Technology in Warsaw, aged 19-24 years, practicing aerobic. The average body mass was 80.7 ± 7.7 kg and average height was 186.9 ± 5.2 cm, (BMI 23.09 ± 1.85 kg/m2). Assessment of physical activity and energy expenditure (TEE) was established using SWA, which was placed on the back side of dominant hand and worn continuously for 48 hours (during the training and non-training day). The presented results are the average values of these 2 days. Assessment of athletes' physical activity level was established by use of metabolic equivalent of task (MET) and number of steps (NS). Estimation of energy intake was based on three-day dietary recalls (two weekdays and one day of the weekend), evaluated using the Polish Software 'Energia' package. The average TEE of examined athletes was 3877 ± 508 kcal/day and almost half of this energy was spend on physical activity (1898 ± 634 kcal/day). The number of steps was on average 19498 ± 5407 and average MET was 2.05 ± 2.09. The average daily energy intake was 2727 ± 576 kcal. Athletes consumed inadequate amount of energy in comparison to their energy expenditure. Examined group did not have an adequate knowledge about their energy requirement, which shows the need of nutritional consulting and education among these athletes. athletes, aerobic sports, energy expenditure, energy intake.

  18. Energy-constrained open-system magmatic processes IV: Geochemical, thermal and mass consequences of energy-constrained recharge, assimilation and fractional crystallization (EC-RAFC)

    International Nuclear Information System (INIS)

    Wendy A. Bohrson Department of Geological Sciences, Central Washington University, Ellensburg, Washington, 98926, USA; Frank J. Spera Institute for Crustal Studies and Department of Geological Sciences, University of California, Santa Barbara, California, 93106, USA

    2003-01-01

    A wealth of geochemical and petrological data provide evidence that the processes of fractional crystallization, assimilation, and magma recharge (replenishment) dominate the chemical signatures of many terrestrial igneous rocks. Previous work [Spera and Bohrson, 2001 ; Bohrson and Spera, 2001] has established the importance of integrating energy, species and mass conservation into simulations of complex magma chamber processes. An extended version of the energy-constrained formulation, Energy-Constrained Recharge, Assimilation, Fractional Crystallization (EC-RAFC), tracks mass and compositional variations of melt, cumulates, and enclaves in a magma body undergoing simultaneous recharge, assimilation, and fractional crystallization [Spera and Bohrson, 2002]. Because many EC-RAFC results are distinct from those predicted by extant RAFC formulations, the primary goal of this paper is to present a range of geochemical and mass relationships for selected cases that highlight issues relevant to modern petrology. Among the plethora of petrologic problems that have important, well-documented analogues in nature are the geochemical distinctions that arise when a magma body undergoes continuous versus episodic recharge, the connection between erupted magmas and associated cumulate bodies, the behavior of recharge-fractionation dominated systems (RFC), thermodynamic conditions that promote the formation of enclaves versus cumulates, and the conditions under which magma bodies may be described as chemically homogeneous. Investigation of the effects of continuous versus episodic recharge for mafic magma undergoing RAFC in the lower crust indicates that the resulting geochemical trends for melt and solids are sensitive to the intensity and composition of recharge, suggesting that EC-RAFC may be used as a tool to distinguish the nature of the recharge events. Compared to the record preserved in melts, the geochemical and mass characteristics of solids associated with particular

  19. Impurity diffusion activation energies in Al from first principles

    NARCIS (Netherlands)

    Simonovic, D.; Sluiter, M.H.

    2009-01-01

    Activation energies for vacancy-mediated impurity diffusion in face-centered-cubic aluminum have been computed ab initio for all technologically important alloying elements, as well as for most of the lanthanides. The so-called five-frequency rate model is used to establish the limiting vacancy

  20. Computer calculations of activation energy for pyrolysis from thermogravimetric curves

    International Nuclear Information System (INIS)

    Hussain, R.

    1994-01-01

    A BASIC programme to determine energy of activation for the degradation of polymers has been described. The calculations are based on the results of thermogravimetric curves. This method is applicable for those polymers which produce volatile products upon thermal degradation. (author)

  1. Application of Indenting Method for Calculation of Activation Energy

    International Nuclear Information System (INIS)

    Kim, Jong-Seog; Kim, Tae-Ryong

    2006-01-01

    For the calculation of activation energy of cable materials, we used to apply the break-elongation test in accordance with ASTM D412(Stand Test Methods for Rubber Properties in Tension). For the cable jacket and insulation which have regular thickness, break-elongation test had been preferred since it showed linear character in the activation energy curve. But, for the cable which has irregular thickness or rugged surface of cable inside, break-elongation test show scattered data which can not be used for the calculation of activation energy. It is not easy to prepare break-elongation specimen for the cable smaller than 13mm diameter in accordance with ASTM D412. In the cases of above, we sometime use TGA method which heat the specimen from 50 .deg. C to 700 .deg. C at heating rates of 10, 15, 20 .deg. C/min. But, TGA is suspected for the representative of natural aging in the plant since it measure the weight decreasing rate during burning which may have different aging mechanism with that of natural aging. To solve above problems, we investigated alternatives such as indenter test. Indenter test is very convenient since it does not ask for a special test specimen as the break-elongation test does. Regular surface of cable outside is the only requirement of indenter test. Experience of activation energy calculation by using the indenter test is described herein

  2. Environmental influences on food choice, physical activity and energy balance.

    Science.gov (United States)

    Popkin, Barry M; Duffey, Kiyah; Gordon-Larsen, Penny

    2005-12-15

    In this paper, the environment is defined as the macro- and community-level factors, including physical, legal and policy factors, that influence household and individual decisions. Thus, environment is conceived as the external context in which household and individual decisions are made. This paper reviews the literature on the ways the environment affects diet, physical activity, and obesity. Other key environmental factors discussed include economic, legal, and policy factors. Behind the major changes in diet and physical activity in the US and globally lie large shifts in food production, processing, and distribution systems as well as food shopping and eating options, resulting in the increase in availability of energy-dense foods. Similarly, the ways we move at home, work, leisure, and travel have shifted markedly, resulting in substantial reductions in energy expenditure. Many small area studies have linked environmental shifts with diet and activity changes. This paper begins with a review of environmental influences on diet and physical activity, and includes the discussion of two case studies on environmental influences on physical activity in a nationally representative sample of US adolescents. The case studies illustrate the important role of physical activity resources and the inequitable distribution of such activity-related facilities and resources, with high minority, low educated populations at strong disadvantage. Further, the research shows a significant association of such facilities with individual-level health behavior. The inequity in environmental supports for physical activity may underlie health disparities in the US population.

  3. Active thermal fine laser tuning in a broad spectral range and optical properties of cholesteric liquid crystal.

    Science.gov (United States)

    Jeong, Mi-Yun; Kwak, Keumcheol

    2016-11-20

    In this study, we achieved active fine laser tuning in a broad spectral range with dye-doped cholesteric liquid crystal wedge-type cells through temperature control. The spatial pitch gradient of each position of the wedge cell at room temperature was almost maintained after developing a temperature gradient. To achieve the maximum tuning range, the chiral dopant concentration, thickness, thickness gradient, and temperature gradient on the wedge cell should be matched properly. In order to understand the laser tuning mechanism for temperature change, we studied the temperature dependence of optical properties of the photonic bandgap of cholesteric liquid crystals. In our cholesteric liquid crystal samples, when temperature was increased, photonic bandgaps were shifted toward blue, while the width of the photonic bandgap was decreased, regardless of whether the helicity was left-handed or right-handed. This is mainly due to the combination of decreased refractive indices, higher molecular anisotropy of chiral molecules, and increased chiral molecular solubility. We envisage that this kind of study will prove useful in the development of practical active tunable CLC laser devices.

  4. Synthesis, crystal structure and biological activity of n-(5-(o-tolyl)-1, 3, 4-thiadiazol-2-yl)cyclopropanecarboxamide

    International Nuclear Information System (INIS)

    Tong, J.Y.; Sun, N.B.; Wu, H.K.

    2013-01-01

    A new 1, 3, 4-thiadiazole compound, N-(5-(o-tolyl)-1,3,4-thiadiazol-2-yl) cyclopropanecarboxamide, was synthesized and its structure was confirmed by 1H NMR, MS and HRMS. The single crystal structure of the title compound was determined by X-ray diffraction. The preliminary biological test showed that the synthesized compound has moderate herbicidal activity against Brassica campestris and fungicidal activities against Sclerotinia sclerotiorum(Lib.) de Bary, Rhizoctonia solanii, Fusarium oxysporum, Corynespora cassiicola, and Botrytis cinerea. (author)

  5. 1996 Activities report on energies and raw materials

    International Nuclear Information System (INIS)

    1996-01-01

    The 1996 activity survey of the French General Directory for Energy and Raw Materials, which main objectives are to preserve the competitiveness of French economy, enhance environmental protection, secure the long term supply safety and maintain the public service basis for energy supply, is presented. The main themes of the survey are: the nuclear safety in Eastern Europe, the electric power inland market, the evolution of the oil market in 1996, the situation of refining in France, restructuring the BRGM (Mining and Geological Research Bureau), followed by brief facts concerning the sustainable energy development, nuclear energy, electric power, electricity and gas common issues, gas, coal, petroleum products, raw materials and underground materials. A series of global diagrams concludes the survey

  6. Energy Regulation Commission. Activity report. 1 July - 31 December 2008

    International Nuclear Information System (INIS)

    2009-01-01

    After a description of the scope of activities, organisation and operation of the CRE (Commission de Regulation de l'Energie, Energy regulation commission) and of the CorDIS (Comite de reglement des differents et des sanctions de la CRE, CRE's Committee for settlements of controversies and sanctions), this report outlines the importance of the grid manager independence and of the regulation reinforcement for the building up of a domestic energy market. It discusses the role of the regulation authority in the interconnection of European grids, their operation security and supply security, but also in pricing and in investments. It highlights the relationship between the reduction of carbon emission, energy demand management, strengthening of electric grids, financial incentives, and advanced metering systems. It describes how the CRE ensures a good operation of electricity and natural gas markets

  7. Socio-economic Impacts—Offshore Activities/Energy

    DEFF Research Database (Denmark)

    Halsnæs, Kirsten; Drews, Martin; Clausen, Niels-Erik

    2016-01-01

    sector and renewable electricity generation—mainly from offshore wind—is increasing. Energy and offshore activities in the North Sea are critically vulnerable to climate change along the full supply chain. The major vulnerabilities for offshore installations like rigs, offshore wind energy and pipelines......, it is highly uncertain how much the future potential of other renewable energy sources such as wind, solar, terrestrial biomass, or emerging technologies like wave, tidal or marine biomass could be positively or negatively affected. Due to the different national energy supply mixes the vulnerability to climate......-related impacts will vary among North Sea countries. To ensure safe and reliable future operations comprehensive and systematic risk assessments are therefore needed which account for, for example, the high integration of power systems in the region....

  8. ENERGY EXPENDITURE AND HABITUAL PHYSICAL ACTIVITIES IN ADOLESCENT SPRINT ATHLETES

    Directory of Open Access Journals (Sweden)

    Dirk Aerenhouts

    2011-06-01

    Full Text Available This study aimed to assess total energy expenditure (TEE and specific habitual physical activities in adolescent sprint athletes. Two methods used to estimate TEE, an activity diary (AD and SenseWear armband (SWA, were compared. Sixteen athletes (6 girls, 10 boys, mean age 16.5 ± 1.6 yr simultaneously wore a SWA and completed an AD and food diary during one week. Basal energy expenditure as given by the SWA when taken off was corrected for the appropriate MET value using the AD. TEE as estimated by the AD and SWA was comparable (3196 ± 590 kcal and 3012 ± 518 kcal, p = 0.113 without day-to-day variations in TEE and energy expended in activities of high intensity. Daily energy intake (2569 ± 508 kcal did not match TEE according to both the AD and SWA (respectively p < 0.001 and p = 0.007. Athletes were in a supine position for a longer time on weekend days than on week days and slept longer on Sundays. Athletes reported a longer time of high-intensive physical activities in the AD than registered by the SWA on 4 out of 7 days. In addition to specific sprint activities on 3 to 7 days per week, 11 out of 16 athletes actively commuted to school where they participated in sports once or twice per week. The AD and the SWA are comparable in the estimation of TEE, which appears realistic and sustainable. The SWA offers an appropriate and objective method in the assessment of TEE, sleeping and resting in adolescent athletes on the condition that detailed information is given for the times the armband is not worn. The AD offers activity specific information but relies on the motivation, compliance and subjectivity of the individual, especially considering high-intensive intermittent training

  9. Effect of gas-liquid-crystal transitions in oxygen clusters on electric and magnetic activity of localized states in In2O3-SrO ceramic

    Science.gov (United States)

    Okunev, V. D.; Szymczak, R.; Szymczak, H.; Aleshkevych, P.; Glot, A. B.; Bondarchuk, A. N.

    2015-10-01

    It has been shown that the overlap of tails of the density of states of the valence and conduction bands leads to the formation of a "negative" gap in the In2O3-SrO ceramic with disordered structure and oxygen clusters in nanovoids. Two types of magnetism are observed. One of them caused by the formation of (dangling bond + O- 2 center) complexes has been found in samples saturated with oxygen. The other is associated with the presence of dangling bonds in oxygen-depleted samples. At T conductivity of samples. The effects caused by magnetic phase transitions in clusters of crystal oxygen are manifested at T < 54.8 K. The variations of the resistance of samples in the interval T = 5-300 K correspond to Mott's law under the dependence of the local activation energy for electron hopping on the state of oxygen clusters.

  10. Energy activity guide : simple steps to reduce your household energy use

    Energy Technology Data Exchange (ETDEWEB)

    Byckalo-Khan, F.; Wallace, C.L. (ed.)

    2003-07-01

    This guide presents 13 practical activities that can help households reduce energy consumption in order to create a more sustainable lifestyle and to help meet Canada's Kyoto commitment to reduce greenhouse gas emissions. Most energy sources create pollution that harms both human health and the Earth. The burning of fossil fuels creates greenhouse gas emissions that contribute to climate change, smog, pollution and adverse health effects. This guide offers suggestions on how households can reduce the impact on the environment while saving money. Some of the initiatives include lowering the thermostat, replacing incandescent light bulbs with compact fluorescent light bulbs, turning off appliances when not in use, weatherising building envelopes, using a clothes line to dry clothes instead of a dryer, laundering clothes with cold water, and proper maintenance of heating equipment. An energy use chart is included with this guide to help track activities and to estimate how much time and money is required by each activity. refs., figs.

  11. Energy activity guide : simple steps to reduce your household energy use

    Energy Technology Data Exchange (ETDEWEB)

    Byckalo-Khan, F; Wallace, C L [ed.

    2003-07-01

    This guide presents 13 practical activities that can help households reduce energy consumption in order to create a more sustainable lifestyle and to help meet Canada's Kyoto commitment to reduce greenhouse gas emissions. Most energy sources create pollution that harms both human health and the Earth. The burning of fossil fuels creates greenhouse gas emissions that contribute to climate change, smog, pollution and adverse health effects. This guide offers suggestions on how households can reduce the impact on the environment while saving money. Some of the initiatives include lowering the thermostat, replacing incandescent light bulbs with compact fluorescent light bulbs, turning off appliances when not in use, weatherising building envelopes, using a clothes line to dry clothes instead of a dryer, laundering clothes with cold water, and proper maintenance of heating equipment. An energy use chart is included with this guide to help track activities and to estimate how much time and money is required by each activity. refs., figs.

  12. Nucleation of polypropylene crystallization with gold nanoparticles. Part 2: relation between particle morphology and nucleation activity

    Czech Academy of Sciences Publication Activity Database

    Šlouf, Miroslav; Vacková, Taťana; Zhigunov, Alexander; Sikora, Antonín; Piorkowska, E.

    2016-01-01

    Roč. 55, č. 4 (2016), s. 393-410 ISSN 0022-2348 R&D Projects: GA ČR GAP205/10/0348; GA ČR(CZ) GA14-17921S Institutional support: RVO:61389013 Keywords : crystallization * gold nanoparticles * isotactic polyproplylene Subject RIV: JJ - Other Materials Impact factor: 0.828, year: 2016

  13. Synthesis, Crystal Structure and Anti-ischaemic Activity of (E)-1-{4 ...

    African Journals Online (AJOL)

    NICO

    Mr = 476.98) (5) was synthesized and studied by the single crystal X-ray diffraction method. Its structure was ... The reaction of cinnamic acid chloride with 1-[bis(4-methoxy- .... Displacement ellipsoids are drawn at the 70 % probability level.

  14. Energy and human activity: Steps toward a sustainable future

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    The potential for improving energy efficiency is enormous, but exploitation of this resource has slowed in recent years. This is regrettable for several reasons. First, not incorporating higher efficiency now often means passing up opportunities that will be more expensive or even impossible to implement in the future. This is especially true for long-lived capital, such as new buildings. Second, reduced research and development into new efficiency options will make it more difficult to accelerate the pace of efficiency improvements in the future. Finally, the flow of more efficient technologies to the non-OECD countries will be hindered by the slowdown in efficiency improvement in the OECD countries. Well-designed policies can help recapture the momentum that has been lost. Some key steps for stimulating more careful use of energy are: rationalize energy pricing and gradually internalize environmental externalities; improve present energy-using capital; implement energy-efficiency standards or agreements for new products and buildings; encourage higher energy efficiency in new products and buildings; promote international cooperation for R ampersand D technology transfer; adjust policies that encourage energy-intensive activities; and promote population restraint worldwide. 25 refs

  15. Coherent bremsstrahlung in crystals as a tool for producing high energy photon beams to be used in photoproduction experiments at CERN SPS

    Energy Technology Data Exchange (ETDEWEB)

    Bilokon, H; D' Ettorre Piazzoli, B; Mannocchi, G [Consiglio Nazionale delle Ricerche, Turin (Italy). Lab. di Cosmo-Geofisica; Istituto Nazionale di Fisica Nucleare, Frascati (Italy). Lab. Nazionale di Frascati); Bologna, G; Picchi, P [Turin Univ. (Italy). Ist. di Fisica Generale; Consiglio Nazionale delle Ricerche, Turin (Italy). Lab. di Cosmo-Geofisica; Istituto Nazionale di Fisica Nucleare, Frascati (Italy). Lab. Nazionale di Frascati); Celani, F; Falcioni, R [Istituto Nazionale di Fisica Nucleare, Frascati (Italy). Lab. Nazionale di Frascati

    1983-01-01

    We recall the properties of coherent bremsstrahlung of high energy electrons in single crystals and show that a suitably oriented diamond crystal can produce a high energy bremsstrahlung beam whose quasimonochromatic spectral composition may be exploited for increasing the production rate in a photoproduction experiment at hundreds of GeV. A careful analysis of the required angular resolutions is performed. It turns out that the standard deviation of the electron beam angular divergence in one plane should be less than 0.3 mrad, for a beam energy of 150 GeV. The standard deviation in the perpendicular plane is not critical. In this situation the photoproduction rate in a typical case is increased by a factor of about 3 with respect to the conventional bremsstrahlung beam.

  16. Energy transfer phenomena and Judd-Ofelt analysis on Sm{sup 3+} ions in K{sub 2}GdF{sub 5} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Do, Phan Van [Thuyloi University, 175 Tay Son, Dong da Dist, Hanoi (Viet Nam); Tuyen, Vu Phi, E-mail: vptuyen@gust-edu.vast.vn [Graduate University of Science and Technology - VAST, 18 Hoang quoc Viet, Hanoi (Viet Nam); DuyTan University, K7/25 QuangTrung, Danang (Viet Nam); Quang, Vu Xuan [DuyTan University, K7/25 QuangTrung, Danang (Viet Nam); Khaidukov, Nicholas M. [Kurnakov Institute of General and Inorganic Chemistry, Moscow (Russian Federation); TrongThanh, Nguyen [Institute of Materials Science - VAST, 18 Hoang quoc Viet, Hanoi (Viet Nam); Sengthong, Bounyavong [DuyTan University, K7/25 QuangTrung, Danang (Viet Nam); Huy, Bui The, E-mail: buithehuy.nt@gmail.com [Department of Chemistry, Changwon National University, Changwon 641-773 (Korea, Republic of)

    2016-11-15

    The Raman, absorption, luminescence spectra and lifetimes curves of Sm{sup 3+}-doped K{sub 2}GdF{sub 5}were measured. Based on the Judd-Ofelt analysis, the values of radiative transition probabilities, branching ratios, integrated emission cross-sections and radiative lifetimes of excited states of Sm{sup 3+} in K{sub 2}GdF{sub 5} crystal were calculated. The migration of excitation energy between the Gd{sup 3+} ions and the trapping processes of Gd{sup 3+} excitation energy by Sm{sup 3+} and Tb{sup 3+}ions in K{sub 2}GdF{sub 5} crystal are reported. The role of the overlapping between the broad, allowed absorption bands of the RE{sup 3+} ions and the narrow absorption lines {sup 6}I{sub J} and {sup 6}P{sub J} of Gd{sup 3+} ions on the trapping rates of the RE{sup 3+} was discussed. The energy transfer between the Sm{sup 3+} ions was studied by the decay measurement, which has been fitted by Inokuti-Hirayama energy transfer model and revealed that electric dipole–quadrupole interaction is responsible for the energy transfer process in Sm{sup 3+} ions doped K{sub 2}GdF{sub 5} crystal.

  17. Photonic crystal rod fibers: Understanding a new class of active optical waveguides

    DEFF Research Database (Denmark)

    Laurila, Marko

    core modes and the cladding band as the underlying mechanics to ensure SM operation of the new rod fiber design (85 μm core diameter), which was developed during this thesis work. The second focus of this work is the study of the new ytterbiumdoped rod fiber design under active operation. Performance...... of the rod fiber is evaluated in high power laser and laser amplifier configurations. The high power rod amplifier setup including the seed source is developed and characterized. Results obtained from the rod fiber showed simultaneously SM, near diffraction limited output beam quality with high average power...... and pulse energy generation using both laser and laser amplifier configurations. Modal instabilities (MIs) in high power fiber amplifiers are discussed, and a memory effect of the MI threshold level together with a recovery method and evidence of improved performance while suppressing MIs are reported...

  18. Thermodynamic Derivation of the Activation Energy for Ice Nucleation

    Science.gov (United States)

    Barahona, D.

    2015-01-01

    Cirrus clouds play a key role in the radiative and hydrological balance of the upper troposphere. Their correct representation in atmospheric models requires an understanding of the microscopic processes leading to ice nucleation. A key parameter in the theoretical description of ice nucleation is the activation energy, which controls the flux of water molecules from the bulk of the liquid to the solid during the early stages of ice formation. In most studies it is estimated by direct association with the bulk properties of water, typically viscosity and self-diffusivity. As the environment in the ice-liquid interface may differ from that of the bulk, this approach may introduce bias in calculated nucleation rates. In this work a theoretical model is proposed to describe the transfer of water molecules across the ice-liquid interface. Within this framework the activation energy naturally emerges from the combination of the energy required to break hydrogen bonds in the liquid, i.e., the bulk diffusion process, and the work dissipated from the molecular rearrangement of water molecules within the ice-liquid interface. The new expression is introduced into a generalized form of classical nucleation theory. Even though no nucleation rate measurements are used to fit any of the parameters of the theory the predicted nucleation rate is in good agreement with experimental results, even at temperature as low as 190 K, where it tends to be underestimated by most models. It is shown that the activation energy has a strong dependency on temperature and a weak dependency on water activity. Such dependencies are masked by thermodynamic effects at temperatures typical of homogeneous freezing of cloud droplets; however, they may affect the formation of ice in haze aerosol particles. The new model provides an independent estimation of the activation energy and the homogeneous ice nucleation rate, and it may help to improve the interpretation of experimental results and the

  19. Calculation of the intermediate energy activation cross section

    Energy Technology Data Exchange (ETDEWEB)

    Furihata, Shiori; Yoshizawa, Nobuaki [Mitsubishi Research Inst., Inc., Tokyo (Japan)

    1997-03-01

    We discussed the activation cross section in order to predict accurately the activation of soil around an accelerator with high energy and strong intensity beam. For the assessment of the accuracy of activation cross sections estimated by a numerical model, we compared the calculated cross section with various experimental data, for Si(p,x){sup 22}Na, Al(p,x){sup 22}Na, Fe(p,x){sup 22}Na, Si(p,x){sup 7}Be, O(p,x){sup 3}H, Al(p,x){sup 3}H and Si(p,x){sup 3}H reactions. We used three computational codes, i.e., quantum molecular dynamics (QMD) plus statistical decay model (SDM), HETC-3STEP and the semiempirical method developed by Silberberg et.al. It is observed that the codes are accurate above 1GeV, except for {sup 7}Be production. We also discussed the difference between the activation cross sections of proton- and neutron-induced reaction. For the incident energy at 40MeV, it is found that {sup 3}H production cross sections of neutron-induced reaction are ten times as large as those of proton-induced reaction. It is also observed that the choice of the activation cross sections seriously affects to the estimate of saturated radioactivity, if the maximum energy of neutron flux is below 100MeV. (author)

  20. International Atomic Energy Agency. Highlights of activities. September 1993

    International Nuclear Information System (INIS)

    Gillen, V.A.

    1993-09-01

    This document describes the most important activities of the International Atomic Energy Agency during the period September 1992 - September 1993, in particular in the following areas: (i) nuclear power; (ii) nuclear fuel cycle; (iii) radioactive waste management; (iv) comparative assessment of energy sources; (v) IAEA laboratory activities; (vi) nuclear applications in the food industry and in agriculture; (vii) human health applications of nuclear techniques, especially in the treatment and prevention of diseases and in the analysis of health problems related to the environment; (viii) industry and earth sciences; (ix) physical and chemical sciences; (x) radiation protection; (xi) safety of nuclear installations; (xii) safeguards and non-proliferation activities; (xiii) activities in the area of public and technical information such as the International Nuclear Information System (INIS) and other IAEA computerized databases and reference systems, the publication Nuclear Fusion, a monthly scientific journal of articles on thermonuclear fusion research and development, and the organization of meetings on atomic energy; and (xiv) a description of the Agency's technical assistance activities, including financial data

  1. Stress relaxation and activation volume at the yield point of cold worked and neutron irradiated copper single crystals

    International Nuclear Information System (INIS)

    Brunner, D.; Diehl, J.

    1979-01-01

    The effective activation volume of slip is studied after neutron irradiation in as-grown crystals as well as in predeformed ones by means of stress relaxation tests between 20 K and 200 K. The activation volume corresponding to the initial strain rate is found to be always higher in predeformed crystals than in as-grown ones. During stress relaxation the flow stress tau decreases linearly with ln(-dtau/dt) (indicating a constant activation volume) only in rare cases. Depending on predeformation and temperature several types of deviations from straight lines are observed: monotoneously bent curves, strong scattering of data points not fitting smooth curves or systematic deviations from straight lines at the beginning of relaxation. Accordingly the effective activation volumes and their dependences on stress seem to behave in a strange manner. By the aid of a previously proposed model for the deformation within the yield point elongation the results can be interpreted qualitatively by taking into account the inhomogeneity of slip and work hardening, allowing a more reliable judgement on the real activation volumes, on which a better understanding of the superposition of the two hardening mechanisms involved here can be based. (author)

  2. Measurements of the total neutron cross-sections of poly- and mono-germanium crystals at neutron energies below 1 eV

    International Nuclear Information System (INIS)

    Maayouf, R.M.A.; Abdel-Kawy, A.; Abbas, Y.; Habib, N.; Adib, M.; Hamouda, I.

    1983-12-01

    Total neutron cross-section measurements have been performed for poly and mono-germanium crystals in the energy range from 2 meV-1eV. The measurements were performed using two TOF and a double axis crystal spectrometer installed at the ET-RR-1 reactor. The obtained neutron cross-sections were analyzed using the single level Breit-Wigner formula. The coherent scattering amplitude was determined from the Bragg reflections observed in the total neutron cross-section of Ge and the analysis of its neutron diffraction pattern. The incoherent and thermal diffuse scattering cross-sections of Ge were estimated from the analysis of the total cross-section data obtained for Ge mono-crystal

  3. STAT3 Activities and Energy Metabolism: Dangerous Liaisons

    Energy Technology Data Exchange (ETDEWEB)

    Camporeale, Annalisa, E-mail: annalisa.camporeale@unito.it [Molecular Biotechnology Center and Department of Molecular Biotechnology and Life Sciences, University of Turin, Via Nizza 52, Turin 10126 (Italy); Demaria, Marco [Buck Institute for Research on Aging, 8001 Redwood Blvd, Novato, CA 94945 (United States); Monteleone, Emanuele [Molecular Biotechnology Center and Department of Molecular Biotechnology and Life Sciences, University of Turin, Via Nizza 52, Turin 10126 (Italy); Giorgi, Carlotta [Department of Experimental and Diagnostic Medicine, Section of General Pathology, Laboratory for Technologies of Advances Therapies (LTTA), University of Ferrara, Via Fossato di Mortara 70, Ferrara 44121 (Italy); Wieckowski, Mariusz R. [Nencki Institute of Experimental Biology, Department of Biochemistry, Pasteur Str. 3, Warsaw 02-093 (Poland); Pinton, Paolo [Department of Experimental and Diagnostic Medicine, Section of General Pathology, Laboratory for Technologies of Advances Therapies (LTTA), University of Ferrara, Via Fossato di Mortara 70, Ferrara 44121 (Italy); Poli, Valeria, E-mail: annalisa.camporeale@unito.it [Molecular Biotechnology Center and Department of Molecular Biotechnology and Life Sciences, University of Turin, Via Nizza 52, Turin 10126 (Italy)

    2014-07-31

    STAT3 mediates cytokine and growth factor receptor signalling, becoming transcriptionally active upon tyrosine 705 phosphorylation (Y-P). Constitutively Y-P STAT3 is observed in many tumors that become addicted to its activity, and STAT3 transcriptional activation is required for tumor transformation downstream of several oncogenes. We have recently demonstrated that constitutively active STAT3 drives a metabolic switch towards aerobic glycolysis through the transcriptional induction of Hif-1α and the down-regulation of mitochondrial activity, in both MEF cells expressing constitutively active STAT3 (Stat3{sup C/C}) and STAT3-addicted tumor cells. This novel metabolic function is likely involved in mediating pre-oncogenic features in the primary Stat3{sup C/C} MEFs such as resistance to apoptosis and senescence and rapid proliferation. Moreover, it strongly contributes to the ability of primary Stat3{sup C/C} MEFs to undergo malignant transformation upon spontaneous immortalization, a feature that may explain the well known causative link between STAT3 constitutive activity and tumor transformation under chronic inflammatory conditions. Taken together with the recently uncovered role of STAT3 in regulating energy metabolism from within the mitochondrion when phosphorylated on Ser 727, these data place STAT3 at the center of a hub regulating energy metabolism under different conditions, in most cases promoting cell survival, proliferation and malignant transformation even though with distinct mechanisms.

  4. STAT3 Activities and Energy Metabolism: Dangerous Liaisons

    International Nuclear Information System (INIS)

    Camporeale, Annalisa; Demaria, Marco; Monteleone, Emanuele; Giorgi, Carlotta; Wieckowski, Mariusz R.; Pinton, Paolo; Poli, Valeria

    2014-01-01

    STAT3 mediates cytokine and growth factor receptor signalling, becoming transcriptionally active upon tyrosine 705 phosphorylation (Y-P). Constitutively Y-P STAT3 is observed in many tumors that become addicted to its activity, and STAT3 transcriptional activation is required for tumor transformation downstream of several oncogenes. We have recently demonstrated that constitutively active STAT3 drives a metabolic switch towards aerobic glycolysis through the transcriptional induction of Hif-1α and the down-regulation of mitochondrial activity, in both MEF cells expressing constitutively active STAT3 (Stat3 C/C ) and STAT3-addicted tumor cells. This novel metabolic function is likely involved in mediating pre-oncogenic features in the primary Stat3 C/C MEFs such as resistance to apoptosis and senescence and rapid proliferation. Moreover, it strongly contributes to the ability of primary Stat3 C/C MEFs to undergo malignant transformation upon spontaneous immortalization, a feature that may explain the well known causative link between STAT3 constitutive activity and tumor transformation under chronic inflammatory conditions. Taken together with the recently uncovered role of STAT3 in regulating energy metabolism from within the mitochondrion when phosphorylated on Ser 727, these data place STAT3 at the center of a hub regulating energy metabolism under different conditions, in most cases promoting cell survival, proliferation and malignant transformation even though with distinct mechanisms

  5. Synthesis, Crystal Structure, DFT Study and Antifungal Activity of 4-(5-((4-Bromobenzyl thio-4-Phenyl-4H-1,2,4-Triazol-3-ylpyridine

    Directory of Open Access Journals (Sweden)

    Jin-Xia Mu

    2015-12-01

    Full Text Available The title compound 4-(5-((4-bromobenzylthio-4-phenyl-4H-1,2,4-triazol-3-ylpyridine (C20H15BrN4S was synthesized, and its structure was confirmed by 1H NMR, MS and elemental analyses and single-crystal X-ray structure determination. It crystallizes in the triclinic space group P-1 with a = 7.717(3, b = 9.210(3, c = 13.370(5 Å, α = 80.347(13, β = 77.471(13, γ = 89.899(16°, V = 913.9(6 Å3, Z = 2 and R = 0.0260 for 3145 observed reflections with I > 2σ(I. A Density functional theory (DFT (B3LYP/6-31G calculation of the title molecule was carried out. The full geometry optimization was carried out using a 6-31G basis set, and the frontier orbital energy. Atomic net charges are discussed. Calculated bond lengths and bond angles were found to differ from experimental values, and the compound exhibits moderate antifungal activity.

  6. [Sedentary lifestyle: physical activity duration versus percentage of energy expenditure].

    Science.gov (United States)

    Cabrera de León, Antonio; Rodríguez-Pérez, María del C; Rodríguez-Benjumeda, Luis M; Anía-Lafuente, Basilio; Brito-Díaz, Buenaventura; Muros de Fuentes, Mercedes; Almeida-González, Delia; Batista-Medina, Marta; Aguirre-Jaime, Armando

    2007-03-01

    To compare different definitions of a sedentary lifestyle and to determine which is the most appropriate for demonstrating its relationship with the metabolic syndrome and other cardiovascular risk factors. A cross-sectional study of 5814 individuals was carried out. Comparisons were made between two definitions of a sedentary lifestyle: one based on active energy expenditure being less than 10% of total energy expenditure, and the other, on performing less than 25-30 minutes of physical activity per day. Reported levels of physical activity, anthropometric measurements, and biochemical markers of cardiovascular risk were recorded. The associations between a sedentary lifestyle and metabolic syndrome and other risk factors were adjusted for gender, age and tobacco use. The prevalence of a sedentary lifestyle was higher in women (70%) than in men (45-60%, according to the definition used). The definitions based on physical activity duration and on energy expenditure were equally useful: there were direct associations between a sedentary lifestyle and metabolic syndrome, body mass index, abdominal and pelvic circumferences, systolic blood pressure, heart rate, apolipoprotein B, and triglycerides, and inverse associations with high-density lipoprotein cholesterol and paraoxonase activity, which demonstrated the greatest percentage difference between sedentary and active individuals. An incidental finding was that both definitions of a sedentary lifestyle were more strongly associated with the metabolic syndrome as defined by International Diabetes Federation criteria than by Adult Treatment Panel III criteria. Given that it is relatively easy to determine whether a patient performs less than 25 minutes of physical activity per day, use of this definition of a sedentary lifestyle is recommended for clinical practice. The serum paraoxonase activity level could provide a useful marker for studying sedentary lifestyles.

  7. International codes and model intercomparison for intermediate energy activation yields

    International Nuclear Information System (INIS)

    Rolf, M.; Nagel, P.

    1997-01-01

    The motivation for this intercomparison came from data needs of accelerator-based waste transmutation, energy amplification and medical therapy. The aim of this exercise is to determine the degree of reliability of current nuclear reaction models and codes when calculating activation yields in the intermediate energy range up to 5000 MeV. Emphasis has been placed for a wide range of target elements ( O, Al, Fe, Co, Zr and Au). This work is mainly based on calculation of (P,xPyN) integral cross section for incident proton. A qualitative description of some of the nuclear models and code options employed is made. The systematics of graphical presentation of the results allows a quick quantitative measure of agreement or deviation. This code intercomparison highlights the fact that modeling calculations of energy activation yields may at best have uncertainties of a factor of two. The causes of such discrepancies are multi-factorial. Problems are encountered which are connected with the calculation of nuclear masses, binding energies, Q-values, shell effects, medium energy fission and Fermi break-up. (A.C.)

  8. Effect of γ-radiation on crystallization of polycaprolactone

    International Nuclear Information System (INIS)

    Zhu Guangming; Xu, Qianyong; Qin Ruifeng; Yan Hongxia; Liang Guozheng

    2005-01-01

    The crystallization behavior of radiation cross-linked poly(ε-caprolactone) (PCL) was studied by DSC at different cooling rates. The crystallization process was analyzed by the Ozawa equation and the Mo-Zhishen method that is developed from combining the Avrami equation and the Ozawa equation. It was concluded that the crystallization of radiation crosslinked PCL is governed by heterogeneous nucleation and single-dimension growth; the crystal fraction and rates of crystallization are related to the radiation dose and degree of cross-linking; the relationship between relative crystallinity and time follows the Ozawa equation: The higher the degree of crosslinking, the less the crystal velocity constant. The activation energy of crystallization for irradiated PCL is between 65 and 54kJ/mol

  9. Energy utilization associated with regular activity breaks and continuous physical activity: A randomized crossover trial.

    Science.gov (United States)

    Fenemor, S P; Homer, A R; Perry, T L; Skeaff, C M; Peddie, M C; Rehrer, N J

    2018-06-01

    To quantify and compare energy utilization associated with prolonged sitting alone, or interrupted with regular activity breaks and/or an additional bout of continuous physical activity. Thirty six adults (11 males, BMI 24.1 ± 4.6) completed four interventions: (1) prolonged sitting (SIT), (2) sitting with 2-min of walking every 30 min (RAB), (3) prolonged sitting with 30-min of continuous walking at the end of the day (SIT + PA), (4) a combination of the activities in (2) and (3) above (RAB + PA). All walking was at a speed and incline corresponding to 60% V̇O 2max . Energy utilization over 7 h for each intervention was estimated using indirect calorimetry. Compared to SIT, SIT + PA increased total energy utilization by 709 kJ (95% CI 485-933 kJ), RAB by 863 kJ (95% CI 638-1088 kJ), and RAB + PA by 1752 kJ (95% CI 1527-1927 kJ) (all p energy utilization between SIT + PA and RAB, however, post-physical activity energy utilization in RAB was 632 kJ greater than SIT + PA (95% CI 561-704 kJ; p energy utilization compared to a single bout of continuous activity; however the total energy utilization is similar. Combining activity breaks with a longer continuous bout of activity will further enhance energy utilization, and in the longer term, may positively affect weight management of a greater magnitude than either activity pattern performed alone. ANZCTR12614000624684. Copyright © 2018 The Italian Society of Diabetology, the Italian Society for the Study of Atherosclerosis, the Italian Society of Human Nutrition, and the Department of Clinical Medicine and Surgery, Federico II University. Published by Elsevier B.V. All rights reserved.

  10. Redox-active Hybrid Materials for Pseudocapacitive Energy Storage

    Science.gov (United States)

    Boota, Muhammad

    Organic-inorganic hybrid materials show a great promise for the purpose of manufacturing high performance electrode materials for electrochemical energy storage systems and beyond. Molecular level combination of two best suited components in a hybrid material leads to new or sometimes exceptional sets of physical, chemical, mechanical and electrochemical properties that makes them attractive for broad ranges of applications. Recently, there has been growing interest in producing redox-active hybrid nanomaterials for energy storage applications where generally the organic component provides high redox capacitance and the inorganic component offers high conductivity and robust support. While organic-inorganic hybrid materials offer tremendous opportunities for electrochemical energy storage applications, the task of matching the right organic material out of hundreds of natural and nearly unlimited synthetic organic molecules to appropriate nanostructured inorganic support hampers their electrochemical energy storage applications. We aim to present the recent development of redox-active hybrid materials for pseudocapacitive energy storage. We will show the impact of combination of suitable organic materials with distinct carbon nanostructures and/or highly conductive metal carbides (MXenes) on conductivity, charge storage performance, and cyclability. Combined experimental and molecular simulation results will be discussed to shed light on the interfacial organic-inorganic interactions, pseudocapacitive charge storage mechanisms, and likely orientations of organic molecules on conductive supports. Later, the concept of all-pseudocapacitive organic-inorganic asymmetric supercapacitors will be highlighted which open up new avenues for developing inexpensive, sustainable, and high energy density aqueous supercapacitors. Lastly, future challenges and opportunities to further tailor the redox-active hybrids will be highlighted.

  11. Climate change impacts on chosen activities from the energy sector

    International Nuclear Information System (INIS)

    Fonte Hernandez, Aramis; Rivero Vega, Roger

    2006-01-01

    The present work, results of a study carried out about the possible impact of climate change on the energy sector in the province Camaguey are shown. First of all, the main activities in companies, utilities, and farms related to the most significant energy consumption were chosen in order to model corresponding equivalent fuel consumption. Impacts were determined taking into account differences between present and future consumptions for each kind of energy. In developed countries, this kind of work is done using well-known empirical-statistical models, which usually require a lot of data at a nation-wide scale, but to attempt it in an undeveloped country demands the use of specific methodology, which in this case was non-existent and required us to create it. This resulted in a carefully posed question since we had to take into consideration that the spatial scale is only that of a province, and so it was necessary, above all, to study specific characteristics of provincial fuel consumption. We used the Magic-Scengen system and SRES scenarios, and outputs of general circulation models like HadCM2 to obtain values of chosen climatic variables for use in energy consumption regression models, previously developed for each kind of activity in the corresponding companies, firm, and facilities included in the present research. It made possible to estimate energy consumption in each activity at the selected time periods centered at 2020, 2050, and 2080. The study shows that impact could rise the consumption by 2,5% of the present energy level in this territory

  12. Active Self-Assembled Spinners: dynamic crystals, transport and induced surface flows

    Science.gov (United States)

    Snezhko, Alexey; Kokot, Gasper

    Strongly interacting colloids driven out-of-equilibrium by an external periodic forcing often develop nontrivial collective dynamics. Active magnetic colloids proved to be excellent model experimental systems to explore emergent behavior and active (out-of-equilibrium) self-assembly phenomena. Ferromagnetic micro-particles, suspended at a liquid interface and energized by a rotational homogeneous alternating magnetic field applied along the supporting interface, spontaneously form ensembles of synchronized self-assembled spinners with well-defined characteristic length. The size and the torque of an individual self-assembled spinner are controlled by the frequency of the driving magnetic field. Experiments reveal a rich collective dynamics in large ensembles of synchronized magnetic spinners that spontaneously form dynamic spinner lattices at the interface in a certain range of the excitation parameters. Non-trivial dynamics inside of the formed spinner lattices is observed. Transport of passive cargo particles and structure of the underlying self-induced surface flows is analyzed. The research was supported by the U.S. DOE, Office of Basic Energy Sciences, Division of Materials Science and Engineering.

  13. Passive and Active Vibration Control of Renewable Energy Structures

    DEFF Research Database (Denmark)

    Zhang, Zili

    The present thesis deals with fundamental researches on passive and active vibration control of renewable energy structures, and provides useful models for practical applications. Effective and robust vibration control methods have been explored for mitigating the lightly damped edgewise blade...... solutions for wave energy point absorbers, in order to maximize the mean absorbed power and to deliver more smooth power to the grid. A novel suboptimal causal control law has been established for controlling the motion of the point absorber, and a new type of point absorber has also been proposed...

  14. Activity and energy expenditure in older people playing active video games.

    Science.gov (United States)

    Taylor, Lynne M; Maddison, Ralph; Pfaeffli, Leila A; Rawstorn, Jonathan C; Gant, Nicholas; Kerse, Ngaire M

    2012-12-01

    Tayl To quantify energy expenditure in older adults playing interactive video games while standing and seated, and secondarily to determine whether participants' balance status influenced the energy cost associated with active video game play. Cross-sectional study. University research center. Community-dwelling adults (N=19) aged 70.7±6.4 years. Participants played 9 active video games, each for 5 minutes, in random order. Two games (boxing and bowling) were played in both seated and standing positions. Energy expenditure was assessed using indirect calorimetry while at rest and during game play. Energy expenditure was expressed in kilojoules per minute and metabolic equivalents (METs). Balance was assessed using the mini-BESTest, the Activities-specific Balance Confidence Scale, and the Timed Up and Go (TUG). Mean ± SD energy expenditure was significantly greater for all game conditions compared with rest (all P≤.01) and ranged from 1.46±.41 METs to 2.97±1.16 METs. There was no significant difference in energy expenditure, activity counts, or perceived exertion between equivalent games played while standing and seated. No significant correlations were observed between energy expenditure or activity counts and balance status. Active video games provide light-intensity exercise in community-dwelling older people, whether played while seated or standing. People who are unable to stand may derive equivalent benefits from active video games played while seated. Further research is required to determine whether sustained use of active video games alters physical activity levels in community settings for this population. Copyright © 2012 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.

  15. Energy Expenditure and Physical Activity in Prader–Willi Syndrome

    Science.gov (United States)

    Butler, Merlin G.; Theodoro, Mariana F.; Bittel, Douglas C.; Donnelly, Joseph E.

    2017-01-01

    Prader–Willi syndrome (PWS) is a complex neurodevelopmental disorder characterized by hypotonia, suck and feeding difficulties, hypogonadism, small hands and feet, developmental delay, hyperphagia and early childhood obesity and a particular facial appearance. The obesity associated with PWS is the result of a chronic imbalance between energy intake and energy expenditure (EE) due to hyperphagia, decreased physical activity, reduced metabolic rate and an inability to vomit. EE is affected by body composition as well as exercise. Individuals with PWS have a lower lean body mass (LBM) compared with controls which may contribute to reduced basal level EE. To determine the relationship among body composition, activity levels and metabolic rates, dual energy X-ray absorptiometry (DEXA) and a whole-room respiration chamber were used to measure body composition, total EE (TEE), resting EE (REE), physical activity, and mechanical work (MW) during an 8 hr monitoring period. The chamber consisted of a live-in whole-room indirect calorimeter equipped with a force platform floor to allow simultaneous measurement of EE, physical activity, and work efficiency during spontaneous activities and standardized exercise. Participants with PWS (27 with 15q11–q13 deletion and 21 with maternal disomy 15 with an average age of 23 years) had significantly decreased TEE by 20% and reduced LBM compared to 24 obese subjects. Similarly, REE was significantly reduced by 16% in the individuals with PWS relative to the comparison subjects. Total MW performed during the 8 hr monitoring period was significantly reduced by 35% in the PWS group. The energy cost of physical activity is related to the duration, intensity and type of activity and the metabolic efficiency of the individual. After adjusting group differences in LBM by analysis of variance, TEE and REE were no longer different between the two groups. Our data indicate that there is a significant reduction of EE in individuals with PWS

  16. Commission for Energy regulation (CRE) - Activity report june 2008

    International Nuclear Information System (INIS)

    2008-01-01

    CRE is the French commission for energy regulation. CRE's remit is to assist in ensuring the proper operation of the electricity and natural gas markets for the benefit of the end-user. In particular, CRE ensures that the conditions of access to electricity and natural gas transmission and distribution systems do not hinder the development of competition. It monitors, for the electricity and natural gas sectors, all transactions made between suppliers, traders and producers, all transactions made on the organised markets and cross-border trading. It ensures that suppliers, traders and producers propose offers that are consistent with their financial and technical constraints. It monitors the implementation of and compliance with regulations giving consumers the right to choose their supplier in a competitive market, and allowing new suppliers to enter the market. This document is the 2008 activity report of CRE. Content: A - How CRE works: CRE regulatory authority and organisation: Powers, Organisation; Budget resources; Personnel; B - The Standing Committee for Dispute Settlement and Sanctions (CoRDiS) activity: Admissibility, Authority; C - Building a single European energy market: Overview; Organisation and coordination of the main European regulators (Work carried out collectively by European regulators, Regulator organisation and development, CRE's relations with European Community institutions, Development of CEER activities outside the European Union); CRE's European activities (The contribution of European regulators to the Third Energy Package, Integration of gas markets, Integration of electricity markets, Operation of the European interconnected electricity grid and security of supply, Opening up markets to benefit consumers); European Community activities (The European Commission's proposals for the internal energy market: the Third Energy Package, The European Commission's proposals for fighting climate change: the Climate Package, Infringement

  17. F + centre generation in MgO crystals at high density of excitation by accelerated electrons of subthreshold energy

    Science.gov (United States)

    Annenkov, Y. M.; Surzhikov, A. P.; Surzhikov, V. P.; Pogrebnjak, A. D.

    1981-07-01

    Optical absorption spectra and the angular distribution of annihilated positrons in MgO crystals irradiated by subtreshold superdense electron pulses are measured. The experimental results obtained show the effective contribution of the creation mechanism of non-impact radiation defects in MgO crystals at the highest electron irradiation densities.

  18. Optical absorption of BaF2 crystals with different prehistory when irradiated by high-energy electrons

    International Nuclear Information System (INIS)

    Chinkov, E P; Stepanov, S A; Shtan'ko, V F; Ivanova, T S

    2016-01-01

    The spectra of stable optical absorption of BaF 2 crystals containing uncontrollable impurities after irradiation with 3 MeV electrons are studied at room temperature. The dependence of the efficiency of stable color accumulation in the region of emerging crossluminescence on the absorption coefficients measured near the fundamental absorption edge in unirradiated crystals of various prehistory is traced. (paper)

  19. Monte Carlo and Lambertian light guide models of the light output from scintillation crystals at megavoltage energies

    International Nuclear Information System (INIS)

    Evans, Philip M.; Mosleh-Shirazi, M. Amin; Harris, Emma J.; Seco, Joao

    2006-01-01

    A new model of the light output from single-crystal scintillators in megavoltage energy x-ray beams has been developed, based on the concept of a Lambertian light guide model (LLG). This was evaluated in comparison with a Monte Carlo (MC) model of optical photon transport, previously developed and reported in the literature, which was used as a gold standard. The LLG model was developed to enable optimization of scintillator detector design. In both models the dose deposition and light propagation were decoupled, the scintillators were cuboids, split into a series of cells as a function of depth, with Lambertian side and entrance faces, and a specular exit face. The signal in a sensor placed 1 and 1000 mm beyond the exit face was calculated. Cesium iodide (CSI) crystals of 1.5 and 3 mm square cross section and 1, 5, and 10 mm depth were modeled. Both models were also used to determine detector signal and optical gain factor as a function of CsI scintillator thickness, from 2 to 10 mm. Results showed a variation in light output with position of dose deposition of a factor of up to approximately 5, for long, thin scintillators (such as 10x1.5x1.5 mm 3 ). For short, fat scintillators (such as 1x3x3 mm 3 ) the light output was more uniform with depth. MC and LLG generally agreed to within 5%. Results for a sensor distance of 1 mm showed an increase in light output the closer the light originates to the exit face, while a distance of 1000 mm showed a decrease in light output the closer the light originates to the exit face. For a sensor distance of 1 mm, the ratio of signal for a 10 mm scintillator to that for a 2 mm scintillator was 1.98, whereas for the 1000 mm distance the ratio was 3.00. The ratio of quantum efficiency (QE) between 10 and 2 mm thicknesses was 4.62. We conclude that these models may be used for detector optimization, with the light guide model suitable for parametric study

  20. Utilization of HTGR on active carbon recycling energy system

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Yukitaka, E-mail: yukitaka@nr.titech.ac.jp

    2014-05-01

    A new energy transformation concept based on carbon recycling, called as active carbon recycling energy system, ACRES, was proposed for a zero carbon dioxide emission process. The ACRES is driven availably by carbon dioxide free primary energy. High temperature gas cooled reactor (HTGR) is a candidate of the energy sources for ACRES. A smart ironmaking system with ACRES (iACRES) is one of application examples. The contribution of HTGR on iACRES was discussed thermodynamically in this study. A carbon material is re-used cyclically as energy carrier media in ACRES. Carbon monoxide (CO) had higher energy densities than hydrogen and was compatible with conventional process. Thus, CO was suitable recycling media for ACRES. Efficient regeneration of CO was a key technology for ACRES. A combined system of hydrogen production by water electrolysis and CO{sub 2} hydrogen reduction was candidate. CO{sub 2} direct electrolysis was also one of the candidates. HTGR was appropriate heat source for both water and CO{sub 2} electrolysises, and CO{sub 2} hydrogen reduction. Thermodynamic energy balances were calculated for both systems with HTGR for an ironmaking system. The direct system showed relatively advantage to the combined system in the stand point of enthalpy efficiency and simplicity of the process. One or two plants of HTGR are corresponding with ACRES system for one unit of conventional blast furnace. The proposed ACRES system with HTGR was expected to form the basis of a new energy industrial process that had low CO{sub 2} emission.

  1. Co-crystals: A novel approach to modify physicochemical properties of active pharmaceutical ingredients

    OpenAIRE

    Yadav A; Shete A; Dabke A; Kulkarni P; Sakhare S

    2009-01-01

    Crystal form can be crucial to the performance of a dosage form. This is especially true for compounds that have intrinsic barriers to drug delivery, such as low aqueous solubility, slow dissolution in gastrointestinal media, low permeability and first-pass metabolism. The nature of the physical form and formulation tends to exhibit the greatest effect on bioavailability parameters of water insoluble compounds that need to be given orally in high doses. An alternative approach available for t...

  2. Active learning in optics and photonics: Liquid Crystal Display in the do-it-yourself

    Science.gov (United States)

    Vauderwange, Oliver; Haiss, Ulrich; Wozniak, Peter; Israel, Kai; Curticapean, Dan

    2015-10-01

    Monitors are in the center of media productions and hold an important function as the main visual interface. Tablets and smartphones are becoming more and more important work tools in the media industry. As an extension to our lecture contents an intensive discussion of different display technologies and its applications is taking place now. The established LCD (Liquid Crystal Display) technology and the promising OLED (Organic Light Emitting Diode) technology are in the focus. The classic LCD is currently the most important display technology. The paper will present how the students should develop sense for display technologies besides the theoretical scientific basics. The workshop focuses increasingly on the technical aspects of the display technology and has the goal of deepening the students understanding of the functionality by building simple Liquid Crystal Displays by themselves. The authors will present their experience in the field of display technologies. A mixture of theoretical and practical lectures has the goal of a deeper understanding in the field of digital color representation and display technologies. The design and development of a suitable learning environment with the required infrastructure is crucial. The main focus of this paper is on the hands-on optics workshop "Liquid Crystal Display in the do-it-yourself".

  3. Studies on the self-catalyzed Knoevenagel condensation, characterization, DPPH radical scavenging activity, cytotoxicity, and molecular properties of 5-arylidene-2,2-dimethyl-1,3-dioxane-4,6-diones using single crystal XRD and DFT techniques

    Science.gov (United States)

    Suresh Kumar, G. S.; Antony Muthu Prabhu, A.; Bhuvanesh, N.

    2014-10-01

    We have studied the self-catalyzed Knoevenagel condensation, spectral characterization, DPPH radical scavenging activity, cytotoxicity, and molecular properties of 5-arylidene-2,2-dimethyl-1,3-dioxane-4,6-diones using single crystal XRD and DFT techniques. In the absence of any catalyst, a series of novel 5-arylidene-2,2-dimethyl-1,3-dioxane-4,6-diones were synthesized using Meldrum’s acid and formylphenoxyaliphatic acid(s) in water. These molecules are arranged in the dimer form through intermolecular H-bonding in the single crystal XRD structure. Compounds have better DPPH radical scavenging activity and cytotoxicity against A431 cancer cell line. The optimized molecular structure, natural bond orbital analysis, electrostatic potential map, HOMO-LUMO energies, molecular properties, and atomic charges of these molecules have been studied by performing DFT/B3LYP/3-21G(*) level of theory in gas phase.

  4. Employment in nuclear energy activities, 1977: a highlights report

    International Nuclear Information System (INIS)

    1979-05-01

    In spite of the uncertainties in the nuclear energy field, employment in nuclear activities increased by nearly 15 percent between July 1975 and July 1977, according to the latest Bureau of Labor Statistics survey conducted for the Department of Energy. The survey covers employment in 21 industrial sectors comprised of Government-owned facilities operated by 57 private contractors and 874 privately-owned establishments, including 21 not-for-profit institutions. Not included in the survey are employees of Federal, state, and local governments; uranium mining; construction, except for reactors; medical institutions; or educational institutions not performing work connected with the Department of Energy. Informaion is presented by type of employer, Federal region, industrial sector, and size of establishment. 6 figures, 6 tables

  5. Status of Nuclear Activities of Bangladesh Atomic Energy Commission

    Energy Technology Data Exchange (ETDEWEB)

    Begum, Zakia [Planning and Development, Bangladesh Atomic Energy Commission - BAEC, Paramanu Bhaban, E 12/A, Agargoan, 01207 Shere Banglanagar, Dhaka (Bangladesh)

    2008-07-01

    Bangladesh Atomic Energy Commission (BAEC) is the national authority for acquisition, development and application of Nuclear Science and Technology and thus is playing the pioneering role for the development of the country's nuclear research programmes and thus helping to achieve the cherished goal of self-reliance through national efforts and international co-operation. Being firmly committed to the peaceful uses of Atomic Energy, programmes have been undertaken in Physical Sciences, Biological Sciences, Engineering and Nuclear Power Sector by Bangladesh Atomic Energy Commission and some of the results have been transferred from laboratories to hospitals, agriculture, industries and environment for practical applications. In spite of some major constrains, presently BAEC's activities have increased many folds and keeping in view of the overall power crisis of the country efforts have also been given to establish Nuclear Power Plant in the country. (author)

  6. Body Segment Kinematics and Energy Expenditure in Active Videogames.

    Science.gov (United States)

    Böhm, Birgit; Hartmann, Michael; Böhm, Harald

    2016-06-01

    Energy expenditure (EE) in active videogames (AVGs) is a component for assessing its benefit for cardiovascular health. Existing evidence suggests that AVGs are able to increase EE above rest and when compared with playing passive videogames. However, the association between body movement and EE remains unclear. Furthermore, for goal-directed game design, it is important to know the contribution of body segments to EE. This knowledge will help to acquire a certain level of exercise intensity during active gaming. Therefore, the purpose of this study was to determine the best predictors of EE from body segment energies, acceleration, and heart rate during different game situations. EE and body segment movement of 17 subjects, aged 22.1 ± 2.5 years, were measured in two different AVGs. In randomized order, the subjects played a handheld-controlled Nintendo(®) Wii™ tennis (NWT) game and a whole body-controlled Sony EyeToy(®) waterfall (ETW) game. Body segment movement was analyzed using a three-dimensional motion capture system. From the video data, mean values of mechanical energy change and acceleration of 10 body segments were analyzed. Measured EE was significantly higher in ETW (7.8 ± 1.4 metabolic equivalents [METs]) than in NWT (3.4 ± 1.0 METs). The best prediction parameter for the more intense ETW game was the energy change of the right thigh and for the less intense hand-controlled NWT game was the energy change of the upper torso. Segment acceleration was less accurate in predicting EE. The best predictors of metabolic EE were the thighs and the upper torso in whole body and handheld-controlled games, respectively. Increasing movement of these body segments would lead to higher physical activity intensity during gaming, reducing sedentary behavior.

  7. Physical activity, energy intake, sedentary behavior, and adiposity in youth.

    Science.gov (United States)

    Fulton, Janet E; Dai, Shifan; Steffen, Lyn M; Grunbaum, Jo Anne; Shah, Syed M; Labarthe, Darwin R

    2009-07-01

    It is unclear to what extent factors affecting energy balance contribute to the development of body fatness in youth. The objective of the current study was to describe the relationship of physical activity, energy intake, and sedentary behavior to BMI, fat free-mass index (FFMI), and fat mass index (FMI) in children aged 10-18 years. In the subsample studied, participants were 245 girls and 227 boys (aged > or =10 years at entry or during follow-up assessments, or aged 11-14 years at entry) followed for 4 years from entry at ages 8, 11, or 14 years. At baseline and anniversary examinations, trained interviewers used a questionnaire to assess time spent daily in moderate-to-vigorous physical activity (MVPA), sedentary behavior, and energy intake (kcal/day). Sexual maturation was assessed by direct observation of pubic-hair development (Tanner Stages 1-5). Triplicate recordings of height and weight were used to estimate BMI by the standard formula (kg/m(2)); bioelectric impedance was used to estimate percent body fat for calculating FFMI and FMI (kg/m(2)). Multilevel models were used to examine the association of MVPA, energy intake, and sedentary behavior with BMI, FFMI, and FMI. Data were analyzed in 2007-2008. Energy intake was unrelated to FMI or FFMI in models adjusted for age or sexual maturation or in any model to BMI. Sedentary behavior was unrelated to FMI in any model or to FFMI or BMI in models adjusted for age or sexual maturation. MVPA was inversely related to FMI. In children aged 10-18 years, MVPA was inversely associated with fat mass and with BMI. Investigations in youth of dietary intake and physical activity, including interventions to prevent or reverse overweight as represented by BMI, should address its fat and lean components and not BMI alone.

  8. Protein energy malnutrition increases arginase activity in monocytes and macrophages.

    Science.gov (United States)

    Corware, Karina; Yardley, Vanessa; Mack, Christopher; Schuster, Steffen; Al-Hassi, Hafid; Herath, Shanthi; Bergin, Philip; Modolell, Manuel; Munder, Markus; Müller, Ingrid; Kropf, Pascale

    2014-01-01

    Protein energy malnutrition is commonly associated with immune dysfunctions and is a major factor in susceptibility to infectious diseases. In this study, we evaluated the impact of protein energy malnutrition on the capacity of monocytes and macrophages to upregulate arginase, an enzyme associated with immunosuppression and increased pathogen replication. Our results show that monocytes and macrophages are significantly increased in the bone marrow and blood of mice fed on a protein low diet. No alteration in the capacity of bone marrow derived macrophages isolated from malnourished mice to phagocytose particles, to produce the microbicidal molecule nitric oxide and to kill intracellular Leishmania parasites was detected. However, macrophages and monocytes from malnourished mice express significantly more arginase both in vitro and in vivo. Using an experimental model of visceral leishmaniasis, we show that following protein energy malnutrition, the increased parasite burden measured in the spleen of these mice coincided with increased arginase activity and that macrophages provide a more permissive environment for parasite growth. Taken together, these results identify a novel mechanism in protein energy malnutrition that might contributes to increased susceptibility to infectious diseases by upregulating arginase activity in myeloid cells.

  9. International Atomic Energy Agency. Highlights of activities. September 1994

    International Nuclear Information System (INIS)

    Gillen, V.A.

    1994-09-01

    The document presents the main activities of the IAEA between September 1993-September 1994 in the following fields: Nuclear power, Nuclear fuel cycle, Radioactive waste management, Comparative assessment of energy sources, IAEA laboratories, Food and agriculture, Human health, Industry and earth sciences, Radiation protection, Safety of nuclear installations, Safeguards and non-proliferation activities, Public and technical information, Research and technical co-operation. There are also given information about IAEA secretariat, organization and administration, the 1993 IAEA General Conference, IAEA Member States and IAEA Network

  10. Active Noise Control Experiments using Sound Energy Flu

    Science.gov (United States)

    Krause, Uli

    2015-03-01

    This paper reports on the latest results concerning the active noise control approach using net flow of acoustic energy. The test set-up consists of two loudspeakers simulating the engine noise and two smaller loudspeakers which belong to the active noise system. The system is completed by two acceleration sensors and one microphone per loudspeaker. The microphones are located in the near sound field of the loudspeakers. The control algorithm including the update equation of the feed-forward controller is introduced. Numerical simulations are performed with a comparison to a state of the art method minimising the radiated sound power. The proposed approach is experimentally validated.

  11. Energy storage applications of activated carbons: supercapacitors and hydrogen storage

    OpenAIRE

    Sevilla Solís, Marta; Mokaya, Robert

    2014-01-01

    Porous carbons have several advantageous properties with respect to their use in energy applications that require constrained space such as in electrode materials for supercapacitors and as solid state hydrogen stores. The attractive properties of porous carbons include, ready abundance, chemical and thermal stability, ease of processability and low framework density. Activated carbons, which are perhaps the most explored class of porous carbons, have been traditionally employed as catalyst s...

  12. Definition of apparent activation energy on DTG curves

    Directory of Open Access Journals (Sweden)

    A. K. Serikbayeva

    2016-07-01

    Full Text Available The article gives the results of sulphidation oxidized copper ores and tailings with sulfur. Defined by the apparent activation energy in the conditions of heating the mixture of substances interacting with a constant speed by differential thermogravimetry (DTG. It was established that the sulfiding may occur in a kinetic mode , since the interaction is charged, in the presence of liquid and gaseous sulfur , i.e. transport of sulfur to the surface of the mineral is not a limiting process.

  13. High energy halogen atom reactions activated by nuclear transformations

    International Nuclear Information System (INIS)

    Rack, E.P.

    1990-05-01

    This program, which has been supported for twenty-four years by the Us Atomic Energy Commission and its successor agencies, has produced significant advances in the understanding of the mechanisms of chemical activation by nuclear processes; the stereochemistry of radioactivity for solution of specific problems. This program was contributed to the training of approximately seventy scientists at various levels. This final report includes a review of the areas of research and chronological tabulation of the publications

  14. LiY0.3Lu0.7F4: Ce3+,Pr3+ Mixed Crystal as a Perspective Up-Conversionally Pumped UV Active Medium

    Directory of Open Access Journals (Sweden)

    Gorieva V.G.

    2015-01-01

    Full Text Available Investigation results of effective population of states of 5d-configuration of Ce3+ ions by energy transfer from Pr3+ ions in LiY0.3Lu0.7F4 (LYLF crystals are discussed. The real concentrations of Pr3+ and Ce3+ ions in LYLF crystals are determined. Such parameters as excited 4f-5d state photoionization cross-section of Pr3+ ions, ground state cross-section of Ce3+ ions at 266 nm wavelengths and energy transfer coefficients of energy transfer from Pr3+ to Ce3+ ions were estimated. The results of pump-probe experiments on 5d-4f transitions of Ce3+ ions in LYLF crystals are presented. The optimal parameters for getting maximal gain on 5d-4f transitions of Ce3+ ions were determined by mathematical modeling.

  15. Phase transition of pNIPAM grafted on plasma-activated PEO monitored in-situ by quartz crystal microbalance

    Energy Technology Data Exchange (ETDEWEB)

    Heinz, P; Bretagnol, F; Mannelli, I; Gillil, D; Rauscher, H; Rossi, F [European Commission, Joint Research Centre, Institute for Health and Consumer Protection, 21020 Ispra (Vatican City State, Holy See,) (Italy)], E-mail: hubert.rauscher@jrc.it

    2008-03-15

    Thermoresponsive poly(N-isopropylacrylamide) layers were grafted on plasma-activated poly(ethylene oxide)-like substrate. Analysis by ToF-SIMS confirmed the presence of a pNIPAM film, which shows a phase transition temperature at 28 - 32 deg. C with hysteresis, as determined in-situ by quartz crystal microbalance. During the transition, the frequency of the pNIPAM coated quartz sensor exhibits a pronounced and unexpected minimum while the dissipation changes monotonously. This peculiar behaviour is explained by temporary formation of water-rich regions, which may cause delayed release and uptake of water during the collapse and re-swelling of the layer.

  16. Phase transition of pNIPAM grafted on plasma-activated PEO monitored in-situ by quartz crystal microbalance

    International Nuclear Information System (INIS)

    Heinz, P; Bretagnol, F; Mannelli, I; Gillil, D; Rauscher, H; Rossi, F

    2008-01-01

    Thermoresponsive poly(N-isopropylacrylamide) layers were grafted on plasma-activated poly(ethylene oxide)-like substrate. Analysis by ToF-SIMS confirmed the presence of a pNIPAM film, which shows a phase transition temperature at 28 - 32 deg. C with hysteresis, as determined in-situ by quartz crystal microbalance. During the transition, the frequency of the pNIPAM coated quartz sensor exhibits a pronounced and unexpected minimum while the dissipation changes monotonously. This peculiar behaviour is explained by temporary formation of water-rich regions, which may cause delayed release and uptake of water during the collapse and re-swelling of the layer

  17. Six-coordinate oxo-vanadium(V) dimer complex with methoxy bridging: synthesis, crystal structure, biological activity and molecular docking

    Czech Academy of Sciences Publication Activity Database

    Heidari, F.; Fatemi, S.J.A.; Yousef Ebrahimipour, S.; Ebrahimnejad, H.; Castro, J.; Dušek, Michal; Eigner, Václav

    2017-01-01

    Roč. 76, Feb (2017), s. 1-4 ISSN 1387-7003 R&D Projects: GA MŠk(CZ) LO1603; GA ČR(CZ) GA14-03276S EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : oxo-vanadium(V) * Schiff base complex * antimicrobial activity * X-ray crystal structure Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 1.640, year: 2016

  18. Measurement of deposition rate and ion energy distribution in a pulsed dc magnetron sputtering system using a retarding field analyzer with embedded quartz crystal microbalance.

    Science.gov (United States)

    Sharma, Shailesh; Gahan, David; Scullin, Paul; Doyle, James; Lennon, Jj; Vijayaraghavan, Rajani K; Daniels, Stephen; Hopkins, M B

    2016-04-01

    A compact retarding field analyzer with embedded quartz crystal microbalance has been developed to measure deposition rate, ionized flux fraction, and ion energy distribution arriving at the substrate location. The sensor can be placed on grounded, electrically floating, or radio frequency (rf) biased electrodes. A calibration method is presented to compensate for temperature effects in the quartz crystal. The metal deposition rate, metal ionization fraction, and energy distribution of the ions arriving at the substrate location are investigated in an asymmetric bipolar pulsed dc magnetron sputtering reactor under grounded, floating, and rf biased conditions. The diagnostic presented in this research work does not suffer from complications caused by water cooling arrangements to maintain constant temperature and is an attractive technique for characterizing a thin film deposition system.

  19. Carbon fiber structure for B.G.O. crystals of an electromagnetic calorimeter for energies around and above 2 GeV

    International Nuclear Information System (INIS)

    Anamateros, E.; Germenia, C.; Napoleone, T.

    1991-01-01

    This document describes a project to construct with composite material an Electromagnetic Calorimeter for a large, solid angle crystal ball for energies around and above 2 GeV, with thin walls (0.36 mm) and a complex figure like a 'Rugby Ball'. The contract was between the National Institute of Nuclear Physics (INFN) of Frascati, Genova, Catania, and Roma, and ITALCOMPOSITI - a joint venture between Agusta Group (50%) and ENI (50%) to research, produce and market advanced prepreg materials and composite structural components for aerospace, defense, energy, and transport applications. The contract concerns the design and the realization of the structure, which consists of 24 baskets containing 480 crystals of B.G.O. weighing about 4 Kg, each with full alveolus, including electronic systems

  20. Measurement of deposition rate and ion energy distribution in a pulsed dc magnetron sputtering system using a retarding field analyzer with embedded quartz crystal microbalance

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Shailesh, E-mail: shailesh.sharma6@mail.dcu.ie [Dublin City University, Glasnevin, Dublin 9 (Ireland); Impedans Limited, Chase House, City Junction Business Park, Northern Cross, D17 AK63, Dublin 17 (Ireland); Gahan, David, E-mail: david.gahan@impedans.com; Scullin, Paul; Doyle, James; Lennon, Jj; Hopkins, M. B. [Impedans Limited, Chase House, City Junction Business Park, Northern Cross, D17 AK63, Dublin 17 (Ireland); Vijayaraghavan, Rajani K.; Daniels, Stephen [Dublin City University, Glasnevin, Dublin 9 (Ireland)

    2016-04-15

    A compact retarding field analyzer with embedded quartz crystal microbalance has been developed to measure deposition rate, ionized flux fraction, and ion energy distribution arriving at the substrate location. The sensor can be placed on grounded, electrically floating, or radio frequency (rf) biased electrodes. A calibration method is presented to compensate for temperature effects in the quartz crystal. The metal deposition rate, metal ionization fraction, and energy distribution of the ions arriving at the substrate location are investigated in an asymmetric bipolar pulsed dc magnetron sputtering reactor under grounded, floating, and rf biased conditions. The diagnostic presented in this research work does not suffer from complications caused by water cooling arrangements to maintain constant temperature and is an attractive technique for characterizing a thin film deposition system.