WorldWideScience

Sample records for hybrid structures consisting

  1. Structural modifications of graphyne layers consisting of carbon atoms in the sp- and sp{sup 2}-hybridized states

    Energy Technology Data Exchange (ETDEWEB)

    Belenkov, E. A., E-mail: belenkov@csu.ru [Chelyabinsk State University (Russian Federation); Mavrinskii, V. V. [Nosov Magnitogorsk State Technical University (Russian Federation); Belenkova, T. E.; Chernov, V. M. [Chelyabinsk State University (Russian Federation)

    2015-05-15

    A model scheme is proposed for obtaining layered compounds consisting of carbon atoms in the sp- and (vnsp){sup 2}-hybridized states. This model is used to find the possibility of existing the following seven basic structural modifications of graphyne: α-, β1-, β2-, β3-, γ1-, γ2-, and γ3-graphyne. Polymorphic modifications β3 graphyne and γ3 graphyne are described. The basic structural modifications of graphyne contain diatomic polyyne chains and consist only of carbon atoms in two different crystallographically equivalent states. Other nonbasic structural modifications of graphyne can be formed via the elongation of the carbyne chains that connect three-coordinated carbon atoms and via the formation of graphyne layers with a mixed structure consisting of basic layer fragments, such as α-β-graphyne, α-γ-graphyne, and β-γ-graphyne. The semiempirical quantum-mechanical MNDO, AM1, and PM3 methods and ab initio STO6-31G basis calculations are used to find geometrically optimized structures of the basic graphyne layers, their structural parameters, and energies of their sublimation. The energy of sublimation is found to be maximal for γ2-graphyne, which should be the most stable structural modification of graphyne.

  2. Growth Mechanism of a Hybrid Structure Consisting of a Graphite Layer on Top of Vertical Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    Nicolo' Chiodarelli

    2012-01-01

    Full Text Available Graphene and carbon nanotubes (CNTs are both carbon-based materials with remarkable optical and electronic properties which, among others, may find applications as transparent electrodes or as interconnects in microchips, respectively. This work reports on the formation of a hybrid structure composed of a graphitic carbon layer on top of vertical CNT in a single deposition process. The mechanism of deposition is explained according to the thickness of catalyst used and the atypical growth conditions. Key factors dictating the hybrid growth are the film thickness and the time dynamic through which the catalyst film dewets and transforms into nanoparticles. The results support the similarities between chemical vapor deposition processes for graphene, graphite, and CNT.

  3. Self-organization of a hybrid nanostructure consisting of a nanoneedle and nanodot.

    Science.gov (United States)

    Liu, Hai; Wu, Junsheng; Wang, Ying; Chow, Chee Lap; Liu, Qing; Gan, Chee Lip; Tang, Xiaohong; Rawat, Rajdeep Singh; Tan, Ooi Kiang; Ma, Jan; Huang, Yizhong

    2012-09-24

    A special materials system that allows the self-organization of a unique hybrid nanonipple structure is developed. The system consists of a nanoneedle with a small nanodot sitting on top. Such hybrid nanonipples provide building blocks to assemble functional devices with significantly improved performance. The application of the system to high-sensitivity gas sensors is also demonstrated.

  4. Composition and doping control for metal-organic chemical vapor deposition of InP-based double heterojunction bipolar transistor with hybrid base structure consisting of GaAsSb contact and InGaAsSb graded layers

    Science.gov (United States)

    Hoshi, Takuya; Kashio, Norihide; Sugiyama, Hiroki; Yokoyama, Haruki; Kurishima, Kenji; Ida, Minoru; Matsuzaki, Hideaki

    2017-07-01

    We report on a method for composition and doping control for metalorganic chemical vapor deposition of a double heterojunction bipolar transistor (DHBT) with a hybrid base structure consisting of a compositionally graded InGaAsSb for boosting an average electron velocity and a heavily doped thin GaAsSb for lowering the base contact resistivity. The GaAsSb contact layer can be formed by simply turning off the supply of In precursor tetramethylindium (TMIn) after the growth of the composition and doping graded InGaAsSb base. Consequently, the solid composition and hole concentration of hybrid base can be properly controlled by just modulating the supply of only TMIn and carbon tetrabromide. Secondary ion mass spectroscopy for the DHBT wafer reveals that the contents of In, Ga, and C inside the base are actually modulated from the collector side to the emitter side as expected. Transmission-line-model measurements were performed for the compositionally graded-InGaAsSb/GaAsSb hybrid base. The contact resistivity is estimated to be 5.3 Ω µm2, which is lower than half the value of a compositionally graded InGaAsSb base without the GaAsSb contact layer. The results indicate that the compositionally-graded-InGaAsSb/GaAsSb-contact hybrid base structure grown by this simple method is very advantageous for obtaining DHBTs with a very high maximum oscillation frequency.

  5. Self-consistent structure of metallic hydrogen

    Science.gov (United States)

    Straus, D. M.; Ashcroft, N. W.

    1977-01-01

    A calculation is presented of the total energy of metallic hydrogen for a family of face-centered tetragonal lattices carried out within the self-consistent phonon approximation. The energy of proton motion is large and proper inclusion of proton dynamics alters the structural dependence of the total energy, causing isotropic lattices to become favored. For the dynamic lattice the structural dependence of terms of third and higher order in the electron-proton interaction is greatly reduced from static lattice equivalents.

  6. Electret Characteristics of Hybrid Films Consisting of Porous Polytetrafluoroethylene and Teflon Fluoroethylenepropylene with Corona Charging

    Institute of Scientific and Technical Information of China (English)

    陈钢进; 韩高荣; Rudi Danz; Burkhard Elling

    2002-01-01

    We have prepared hybrid films consisting of porous polytetrafluoroethylene (PTFE) and Teflon fluoroethylene-propylene (FEP) and we have investigated their charge dynamics of injection, transport and trapping using corona charging, isothermal and thermally stimulated surface-potential decay measurements. The results indicate that the hybrid film samples show different electret characteristics when charged through side PTFE or side FEP. The samples charged negatively through side porous PTFE show the best charge stability. Their charge dynamics differs very much from a single film. The effect of corona polarity on the electret behaviour in the hybrid film is very large. The experimental results are explained with the three structure level model of charge storage in electrets.

  7. Hybrid Composite Cryogenic Tank Structure

    Science.gov (United States)

    DeLay, Thomas

    2011-01-01

    A hybrid lightweight composite tank has been created using specially designed materials and manufacturing processes. The tank is produced by using a hybrid structure consisting of at least two reinforced composite material systems. The inner composite layer comprises a distinct fiber and resin matrix suitable for cryogenic use that is a braided-sleeve (and/or a filamentwound layer) aramid fiber preform that is placed on a removable mandrel (outfitted with metallic end fittings) and is infused (vacuum-assisted resin transfer molded) with a polyurethane resin matrix with a high ductility at low temperatures. This inner layer is allowed to cure and is encapsulated with a filamentwound outer composite layer of a distinct fiber resin system. Both inner and outer layer are in intimate contact, and can also be cured at the same time. The outer layer is a material that performs well for low temperature pressure vessels, and it can rely on the inner layer to act as a liner to contain the fluids. The outer layer can be a variety of materials, but the best embodiment may be the use of a continuous tow of carbon fiber (T-1000 carbon, or others), or other high-strength fibers combined with a high ductility epoxy resin matrix, or a polyurethane matrix, which performs well at low temperatures. After curing, the mandrel can be removed from the outer layer. While the hybrid structure is not limited to two particular materials, a preferred version of the tank has been demonstrated on an actual test tank article cycled at high pressures with liquid nitrogen and liquid hydrogen, and the best version is an inner layer of PBO (poly-pphenylenebenzobisoxazole) fibers with a polyurethane matrix and an outer layer of T-1000 carbon with a high elongation epoxy matrix suitable for cryogenic temperatures. A polyurethane matrix has also been used for the outer layer. The construction method is ideal because the fiber and resin of the inner layer has a high strain to failure at cryogenic

  8. Hybrid Simulation of Composite Structures

    DEFF Research Database (Denmark)

    Høgh, Jacob Herold

    Hybrid simulation is a substructural method combining a numerical simulation with a physical experiment. A structure is thereby simulated under the assumption that a substructure’s response is well known and easily modelled while a given substructure is studied more accurately in a physical...... of freedom. In this dissertation the main focus is to develop hybrid simulation for composite structures e.g. wind turbine blades where the boundary between the numerical model and the physical experiment is continues i.e. in principal infinite amount of degrees of freedom. This highly complicates...

  9. Hybrid Tower, Designing Soft Structures

    DEFF Research Database (Denmark)

    Ramsgaard Thomsen, Mette; Tamke, Martin; Holden Deleuran, Anders;

    2015-01-01

    predictions about the inherent interdependency and material dependent performance of the hybrid structure and (2) the inter-scalar design strategies for specification and fabrication. The first investigation focuses on the design pipelines developed between the implementation of realtime physics...... (membrane reinforcement strategy) and micro scale (design of bespoke textile membrane). The paper concludes with a post construction analysis. Comparing structural and environmental data, the predicted and the actual performance of tower are evaluated and discussed....

  10. Hybrid composite laminate structures

    Science.gov (United States)

    Chamis, C. C.; Lark, R. F. (Inventor)

    1977-01-01

    An invention which relates to laminate structures and specifically to essentially anisotropic fiber composite laminates is described. Metal foils are selectively disposed within the laminate to produce increased resistance to high velocity impact, fracture, surface erosion, and other stresses within the laminate.

  11. [Hybridization of crucian carp, Carassius carassius (Linnaeus, 1758), in Ukrainian reservoirs and genetic structure of hybrids].

    Science.gov (United States)

    Mezhzheryn, S V; Kokodyĭĭ, S V; Kulysh, A V; Verlat'iĭĭ, D B; Fedorenko, L V

    2012-01-01

    Hybridization of crucian carps Carassius carassius in polyspecific crucian populations of reservoirs of Ukraine and genetic structure of the hybrids were investigated using biochemical gene marking and cytometric procedure. The fact of wide hybridization between C. auratus and C. carassius was proved to be true by large number of hybrids which can form populations consisting only from hybrid individuals. Hybrids C. auratus x C. carassius were diploid, tryploid and in exceptional cases tetraploid; females and males which most likely breed by hybridogenesis. Besides, some clonal hybrids C. carassius x C. gibelio-1 appearing as tetraploid females, and one triploid female C. carassius x Tinca tinca were revealed. It is supported that hybridization of alien C. auratus with endemic C. carassius became one of mechanisms of replacement and depressions of populations of the last.

  12. Hybrid Testing of Composite Structures with Single-Axis Control

    DEFF Research Database (Denmark)

    Waldbjørn, Jacob Paamand; Høgh, Jacob Herold; Stang, Henrik

    2013-01-01

    a hybrid testing platform is introduced for single-component hybrid testing. In this case, the boundary between the numerical model and experimental setup is defined by multiple Degrees-Of-Freedoms (DOFs) which highly complicate the transferring of response between the two substructures. Digital Image......Hybrid testing is a substructuring technique where a structure is emulated by modelling a part of it in a numerical model while testing the remainder experimentally. Previous research in hybrid testing has been performed on multi-component structures e.g. damping fixtures, however in this paper...... Correlation (DIC) is therefore implemented for displacement control of the experimental setup. The hybrid testing setup was verified on a multicomponent structure consisting of a beam loaded in three point bending and a numerical structure of a frame. Furthermore, the stability of the hybrid testing loop...

  13. Hybrid Method Simulation of Slender Marine Structures

    DEFF Research Database (Denmark)

    Christiansen, Niels Hørbye

    This present thesis consists of an extended summary and five appended papers concerning various aspects of the implementation of a hybrid method which combines classical simulation methods and artificial neural networks. The thesis covers three main topics. Common for all these topics...... is that they deal with time domain simulation of slender marine structures such as mooring lines and flexible risers used in deep sea offshore installations. The first part of the thesis describes how neural networks can be designed and trained to cover a large number of different sea states. Neural networks can...... that a single neural network can cover all relevant sea states. The applicability and performance of the present hybrid method is demonstrated on a numerical model of a mooring line attached to a floating offshore platform. The second part of the thesis demonstrates how sequential neural networks can be used...

  14. Research on consistency measurement and weight estimation approach of hybrid uncertain comparison matrix

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The consistency measurement and weight estimation approach of the hybrid uncertain comparison matrix in the analytic hierarchy process (AHP) are studied. First, the decision-making satisfaction membership function is defined based on the decision making's allowable error. Then, the weight model based on the maximal satisfactory consistency idea is suggested, and the consistency index is put forward. Moreover, the weight distributing value model is developed to solve the decision making misleading problem since the multioptimization solutions in the former model. Finally, the weights are ranked based on the possibility degree approach to obtain the ultimate order.

  15. Structural and mechanical properties of Laponite-PEG hybrid films.

    Science.gov (United States)

    Shikinaka, Kazuhiro; Aizawa, Kazuto; Murakami, Yoshihiko; Osada, Yoshihito; Tokita, Masatoshi; Watanabe, Junji; Shigehara, Kiyotaka

    2012-03-01

    Inorganic/organic hybrids were obtained by the sol-gel type organic modification reaction of Laponite sidewalls with poly(ethylene glycol) (PEG) bearing alkoxysiloxy terminal functionality. By casting an aqueous dispersion of the hybrid, the flexible and transparent hybrid films were obtained. Regardless of the inorganic/organic component ratio, the hybrid film had the ordered structure of Laponite in-plane flat arrays. The mechanical strength of hybrid films was drastically improved by the presence of cross-linking among alkoxysilyl functionalities of PEG terminals and the absence of PEG crystallines. Hybrid films, especially those that consisted of PEG with short chain, showed good mechanical properties that originate from quasi-homogeneous dispersion of components due to anchoring of PEG terminal to Laponite sidewall and interaction of PEG to Laponite surface.

  16. Structural Consistency: Enabling XML Keyword Search to Eliminate Spurious Results Consistently

    CERN Document Server

    Lee, Ki-Hoon; Han, Wook-Shin; Kim, Min-Soo

    2009-01-01

    XML keyword search is a user-friendly way to query XML data using only keywords. In XML keyword search, to achieve high precision without sacrificing recall, it is important to remove spurious results not intended by the user. Efforts to eliminate spurious results have enjoyed some success by using the concepts of LCA or its variants, SLCA and MLCA. However, existing methods still could find many spurious results. The fundamental cause for the occurrence of spurious results is that the existing methods try to eliminate spurious results locally without global examination of all the query results and, accordingly, some spurious results are not consistently eliminated. In this paper, we propose a novel keyword search method that removes spurious results consistently by exploiting the new concept of structural consistency.

  17. Design of Hybrid Solid Polymer Electrolytes: Structure and Properties

    Science.gov (United States)

    Bronstein, Lyudmila M.; Karlinsey, Robert L.; Ritter, Kyle; Joo, Chan Gyu; Stein, Barry; Zwanziger, Josef W.

    2003-01-01

    This paper reports synthesis, structure, and properties of novel hybrid solid polymer electrolytes (SPE's) consisting of organically modified aluminosilica (OM-ALSi), formed within a poly(ethylene oxide)-in-salt (Li triflate) phase. To alter the structure and properties we fused functionalized silanes containing poly(ethylene oxide) (PEO) tails or CN groups.

  18. A Paradoxical Consistency Between Dynamic and Conventional Derivatives on Hybrid Grids

    Institute of Scientific and Technical Information of China (English)

    Qin Sheng

    2008-01-01

    It has been evident that the theory and methods of dynamic derivatives are playing an increasingly important role in hybrid modeling and computations. Being constructed on various kinds of hybrid grids, that is, time scales, dynamic derivatives offer superior accuracy and flexibility in approximating mathematically important nat-ural processes with hard-to-predict singularities, such as the epidemic growth with un-predictable jump sizes and option market changes with high uncertainties, as com-pared with conventional derivatives. In this article, we shall review the novel new concepts, explore delicate relations between the most frequently used second-order dy-namic derivatives and conventional derivatives. We shall investigate necessary condi-tions for guaranteeing the consistency between the two derivatives. We will show that such a consistency may never exist in general. This implies that the dynamic derivatives provide entirely different new tools for sensitive modeling and approximations on hy-brid grids. Rigorous error analysis will be given via asymptotic expansions for further modeling and computational applications. Numerical experiments will also be given.

  19. Breaking Dense Structures: Proving Stability of Densely Structured Hybrid Systems

    Directory of Open Access Journals (Sweden)

    Eike Möhlmann

    2015-06-01

    Full Text Available Abstraction and refinement is widely used in software development. Such techniques are valuable since they allow to handle even more complex systems. One key point is the ability to decompose a large system into subsystems, analyze those subsystems and deduce properties of the larger system. As cyber-physical systems tend to become more and more complex, such techniques become more appealing. In 2009, Oehlerking and Theel presented a (de-composition technique for hybrid systems. This technique is graph-based and constructs a Lyapunov function for hybrid systems having a complex discrete state space. The technique consists of (1 decomposing the underlying graph of the hybrid system into subgraphs, (2 computing multiple local Lyapunov functions for the subgraphs, and finally (3 composing the local Lyapunov functions into a piecewise Lyapunov function. A Lyapunov function can serve multiple purposes, e.g., it certifies stability or termination of a system or allows to construct invariant sets, which in turn may be used to certify safety and security. In this paper, we propose an improvement to the decomposing technique, which relaxes the graph structure before applying the decomposition technique. Our relaxation significantly reduces the connectivity of the graph by exploiting super-dense switching. The relaxation makes the decomposition technique more efficient on one hand and on the other allows to decompose a wider range of graph structures.

  20. Ultra-Lightweight Hybrid Structured Mirror Project

    Data.gov (United States)

    National Aeronautics and Space Administration — MMCC is proposing herewith a hybrid structured mirror that combines the advantages of SiC membrane and magnesium graphite composite. The significance of magnesium...

  1. Self-consistent modelling of resonant tunnelling structures

    DEFF Research Database (Denmark)

    Fiig, T.; Jauho, A.P.

    1992-01-01

    We report a comprehensive study of the effects of self-consistency on the I-V-characteristics of resonant tunnelling structures. The calculational method is based on a simultaneous solution of the effective-mass Schrödinger equation and the Poisson equation, and the current is evaluated with the ......We report a comprehensive study of the effects of self-consistency on the I-V-characteristics of resonant tunnelling structures. The calculational method is based on a simultaneous solution of the effective-mass Schrödinger equation and the Poisson equation, and the current is evaluated...... applied voltages and carrier densities at the emitter-barrier interface. We include the two-dimensional accumulation layer charge and the quantum well charge in our self-consistent scheme. We discuss the evaluation of the current contribution originating from the two-dimensional accumulation layer charges...

  2. Structures, profile consistency, and transport scaling in electrostatic convection

    DEFF Research Database (Denmark)

    Bian, N.H.; Garcia, O.E.

    2005-01-01

    that for interchange modes, profile consistency is in fact due to mixing by persistent large-scale convective cells. This mechanism is not a turbulent diffusion, cannot occur in collisionless systems, and is the analog of the well-known laminar "magnetic flux expulsion" in magneiohydrodynamics. This expulsion process...... involves a "pinch" across closed streamlines and further results in the formation of pressure fingers along the-separatrix of the convective cells. By nature, these coherent structures are dissipative because the mixing process that leads to their formation relies on a finite amount of collisional...... diffusion. Numerical simulations of two-dimensional interchange modes confirm the role of laminar expulsion by convective cells, for profile consistency and structure formation. They also show that the fingerlike pressure structures ultimately control the rate of heat transport across the plasma layer...

  3. Assessing the performance of self-consistent hybrid functional for band gap calculation in oxide semiconductors.

    Science.gov (United States)

    He, Jiangang; Franchini, Cesare

    2017-08-16

    In this paper we assess the predictive power of the self-consistent hybrid functional scPBE0 in calculating the band gap of oxide semiconductors. The computational procedure is based on the self-consistent evaluation of the mixing parameter α by means of an iterative calculation of the static dielectric constant using the perturbation expansion after discretization (PEAD) method and making use of the relation α = 1/ε. Our materials dataset is formed by 30 compounds covering a wide range of band gaps and dielectric properties, and includes materials with a wide spectrum of application as thermoelectrics, photocatalysis, photovoltaics, transparent conducting oxides, and refractory materials. Our results show that the scPBE0 functional provides better band gaps than the non self-consistent hybrids PBE0 and HSE06, but scPBE0 does not show significant improvement on the description of the static dielectric constants. Overall, the scPBE0 data exhibit a mean absolute percentage error of 14 % (band gaps) and 10 % (α = 1/ε). For materials with weak dielectric screening and large excitonic biding energies scPBE0, unlike PBE0 and HSE06, overestimates the band gaps, but the value of the gap become very close to the experimental value when excitonic effects are included (e.g. for SiO2). However, special caution must be given to the compounds with small band gaps due to the tendency of scPBE0 to overestimate the dielectric constant in proximity of the metallic limit. © 2017 IOP Publishing Ltd.

  4. A hybrid piezoelectric structure for wearable nanogenerators

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Minbaek; Wang, Sihong; Wang, Zhong Lin [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Chen, Chih-Yen [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Department of Materials Science and Engineering, National Tsing-Hua University, Hsinchu, 30013 (China); Cha, Seung Nam; Park, Yong Jun; Kim, Jong Min [Frontier Research Lab, Samsung Advanced Institute of Technology, Samsung Electronics, Gyeonggi-Do 446-712 (Korea, Republic of); Chou, Li-Jen [Department of Materials Science and Engineering, National Tsing-Hua University, Hsinchu, 30013 (China)

    2012-04-03

    A hybrid-fiber nanogenerator comprising a ZnO nanowire array, PVDF polymer and two electrodes is presented. Depending on the bending or spreading action of the human arm, at an angle of {proportional_to}90 , the hybrid fiber reaches electrical outputs of {proportional_to}0.1 V and {proportional_to}10 nA cm{sup -2}. The unique structure of the hybrid fiber may inspire future research in wearable energy-harvesting technology. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Self-consistent hybrid neoclassical-magnetohydrodynamic simulations of axisymmetric plasmas

    Science.gov (United States)

    Lyons, Brendan Carrick

    Neoclassical effects (e.g., conductivity reduction and bootstrap currents) have a profound impact on many magnetohydrodynamic (MHD) instabilities in toroidally-confined plasmas, including tearing modes, edge-localized modes, and resistive wall modes. High-fidelity simulations of such phenomena require a multiphysics code that self-consistently couples the kinetic and fluid models. We review a hybrid formulation from the recent literatureAB that is appropriate for such studies. In particular, the formulation uses a set of time-dependent drift-kinetic equations (DKEs) to advance the non-Maxwellian part of the electron and ion distribution functions (fNM) with linearized Fokker-Planck-Landau collision operators. The form of the DKEs used were derived in a Chapman-Enskog-like fashion, ensuring that fNM carries no density, momentum, or temperature. Rather, these quantities are contained within the background Maxwellian and are evolved by a set of MHD equations which are closed by moments of fNM . We then present two DKE solvers based upon this formulation in axisymmetric toroidal geometries. The Neoclassical Ion-Electron Solver (NIES) solves the steady-state DKEs in the low-collisionality limit. Convergence and benchmark studies are discussed, providing a proof-of-principle that this new formulation can accurately reproduce results from the literature in the limit considered. We then present the DK4D code which evolves the finite-collisionality DKEs time-dependently. Computational methods used and successful benchmarks to other neoclassical models and codes are discussed. Furthermore, we couple DK4D to a reduced, transport-timescale MHD code. The resulting hybrid code is used to simulate the evolution of the current density in a large-aspect-ratio plasma in the presence of several different time-dependent pressure profiles. These simulations demonstrate the self-consistent, dynamic formation of the ohmic and bootstrap currents. In the slowly-evolving plasmas considered

  6. A new self-consistent hybrid chemistry model for Mars and cometary environments

    Science.gov (United States)

    Wedlund, Cyril Simon; Kallio, Esa; Jarvinen, Riku; Dyadechkin, Sergey; Alho, Markku

    2014-05-01

    Over the last 15 years, a 3-D hybrid-PIC planetary plasma interaction modelling platform, named HYB, has been developed, which was applied to several planetary environment such as those of Mars, Venus, Mercury, and more recently, the Moon. We present here another evolution of HYB including a fully consistent ionospheric-chemistry package designed to reproduce the main ions in the lower boundary of the model. This evolution, also permitted by the increase in computing power and the switch to spherical coordinates for higher spatial resolution (Dyadechkin et al., 2013), is motivated by the imminent arrival of the Rosetta spacecraft in the vicinity of comet 67P/Churyumov-Gerasimenko. In this presentation we show the application of the new HYB-ionosphere model to 1D and 2D hybrid simulations at Mars above 100 km altitude and demonstrate that with a limited number of chemical reactions, good agreement with 1D kinetic models may be found. This is a first validation step before applying the model to the 67P/CG comet environment, which, like Mars, is expected be rich in carbon oxide compounds.

  7. Euro hybrid materials and structures. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Hausmann, Joachim M.; Siebert, Marc (eds.)

    2016-08-01

    In order to use the materials as best as possible, several different materials are usually mixed in one component, especially in the field of lightweight design. If these combinations of materials are joined inherently, they are called multi material design products or hybrid structures. These place special requirements on joining technology, design methods and manufacturing and are challenging in other aspects, too. The eight chapters with manuscripts of the presentations are: Chapter 1- Interface: What happens in the interface between the two materials? Chapter 2 - Corrosion and Residual Stresses: How about galvanic corrosion and thermal residual stresses in the contact zone of different materials? Chapter 3 - Characterization: How to characterize and test hybrid materials? Chapter 4 - Design: What is a suitable design and dimensioning method for hybrid structures? Chapter 5 - Machining and Processing: How to machine and process hybrid structures and materials? Chapter 6 - Component Manufacturing: What is a suitable manufacturing route for hybrid structures? Chapter 7 - Non-Destructive Testing and Quality Assurance: How to assure the quality of material and structures? Chapter 8 - Joining: How to join components of different materials?.

  8. A hybrid attitude controller consisting of electromagnetic torque rods and an active fluid ring

    Science.gov (United States)

    Nobari, Nona A.; Misra, Arun K.

    2014-01-01

    In this paper, a novel hybrid actuation system for satellite attitude stabilization is proposed along with its feasibility analysis. The system considered consists of two magnetic torque rods and one fluid ring to produce the control torque required in the direction in which magnetic torque rods cannot produce torque. A mathematical model of the system dynamics is derived first. Then a controller is developed to stabilize the attitude angles of a satellite equipped with the abovementioned set of actuators. The effect of failure of the fluid ring or a magnetic torque rod is examined as well. It is noted that the case of failure of the magnetic torque rod whose torque is along the pitch axis is the most critical, since the coupling between the roll or yaw motion and the pitch motion is quite weak. The simulation results show that the control system proposed is quite fault tolerant.

  9. Configuration of Self-consistent Flows in a Hole Structure

    Science.gov (United States)

    Hasegawa, Hiroki; Ishiguro, Seiji

    2016-10-01

    Self-consistent particle flows in a hole structure have been studied with a three dimensional electrostatic plasma particle simulation code. In our previous study, we investigated kinetic effects on plasma blob dynamics with the particle simulation code. In this study, we have improved the code in order to investigate the hole propagation dynamics. Here, the hole is the intermittent filamentary structure along the magnetic field line in peripheral plasmas of fusion magnetic confinement devices and the plasma density in the hole is lower than that of background plasma. In the simulation, a hole structure is initially set as a cylindrical form elongated between both end plates and propagates in the grad-B direction. The simulation confirms that a spiral current system is formed in a hole structure. Further, the investigation into the effect of impurities on the flow configuration will be reported. Supported by NIFS Collaboration Research programs (NIFS15KNSS058, NIFS14KNXN279, NIFS15KNTS039, NIFS15KNTS040, and NIFS16KNTT038).

  10. Study of hybrid orientation structure wafer*

    Institute of Scientific and Technical Information of China (English)

    Tan Kaizhou; Zhang Jing; Xu Shiliu; Zhang Zhengfan; Yang Yonghui; Chen Jun; Liang Tao

    2011-01-01

    Two types of 5 μm thick hybrid orientation structure wafers, which were integrated by (110) or (100) orientation silicon wafers as the substrate, have been investigated for 15-40 V voltage ICs and MEMS sensor applications. They have been obtained mainly by SOI wafer bonding and a non-selective epitaxy technique, and have been presented in China for the first time. The thickness of BOX SiO2 buried in wafer is 220 nm. It has been found that the quality of hybrid orientation structure with (100) wafer substrate is better than that with (110) wafer substrate by “Sirtl defect etching of HOSW”.

  11. A Self-Consistent Scheme for Optical Response of large Hybrid Networks of Semiconductor Quantum Dots and Plasmonic Metal Nanoparticles

    Science.gov (United States)

    Barbiellini, Bernardo; Hayati, L.; Lane, C.; Bansil, A.; Mosallaei, H.

    We discuss a self-consistent scheme for treating the optical response of large, hybrid networks of semiconducting quantum dots (SQDs) and plasmonic metallic nanoparticles (MNPs). Our method is efficient and scalable and becomes exact in the limiting case of weakly interacting SQDs. The self-consistent equations obtained for the steady state are analogous to the Heisenberg equations of motion for the density matrix of a SQD placed in an effective electric field computed within the discrete dipole approximation (DDA). Illustrative applications of the theory to square and honeycomb SQD, MNP and hybrid SDQ/MNP lattices as well as SQD-MNP dimers are presented. Our results demonstrate that hybrid SQD-MNP lattices can provide flexible platforms for light manipulation with tunable resonant characteristics.

  12. Self-consistent scheme for optical response of large hybrid networks of semiconductor quantum dots and plasmonic metal nanoparticles

    Science.gov (United States)

    Hayati, L.; Lane, C.; Barbiellini, B.; Bansil, A.; Mosallaei, H.

    2016-06-01

    We discuss a self-consistent scheme for treating the optical response of large, hybrid networks of semiconducting quantum dots (SQDs) and plasmonic metallic nanoparticles (MNPs). Our method is efficient and scalable and becomes exact in the limiting case of weakly interacting SQDs. The self-consistent equations obtained for the steady state are analogous to the von Neumann equations of motion for the density matrix of a SQD placed in an effective electric field computed within the discrete dipole approximation. Illustrative applications of the theory to square and honeycomb SQD, MNP, and hybrid SDQ-MNP lattices as well as SQD-MNP dimers are presented. Our results demonstrate that hybrid SQD-MNP lattices can provide flexible platforms for light manipulation with tunable resonant characteristics.

  13. Spatio-temporal changes in the genetic structure of the Passerina bunting hybrid zone.

    Science.gov (United States)

    Carling, Matthew D; Zuckerberg, Benjamin

    2011-03-01

    Although theoretical models predict that the structure of a hybrid zone can change under a variety of scenarios, only a few empirical studies of hybrid zones have unequivocally demonstrated zone movement. These studies are rare because few data sets exist that include repeated, temporally spaced, samples of the same hybrid zone. We analysed mitochondrial DNA haplotype data from samples separated by 40-45 years from across the Passerina amoena (Lazuli Bunting) and Passerina cyanea (Indigo Bunting) hybrid zone to investigate whether the genetic structure of this zone has changed during that interval. Both cline and generalized linear mixed modelling analyses uncovered a significant narrowing and a substantial westward shift of the Passerina bunting hybrid zone, clearly illustrating hybrid zone movement. The cause of the change may be due to a combination of ecological, demographic and behavioural factors. Our results predict that the width of the hybrid zone will continue to narrow over time, a finding consistent with reinforcement theory.

  14. Kinematic Analysis of a Hybrid Structure

    Directory of Open Access Journals (Sweden)

    Q.J. Duan

    2012-11-01

    Full Text Available This paper presents a kinematic analysis and simulation of a hybrid structure applied to the new design cable-suspended feed structure (CSFS for the next generation of large spherical radio telescopes. First, considering the requirement that feeds should be tilted from 40° to 60° and that the tracking precision in steady state is 4mm, a novel design of the feed supporting structure including a cable-cabin structure, an AB axis structure and a Stewart platform is performed. Next, kinematic analysis and the simulation of the CSFS are done. Simulations have been developed in combination with the 50m CSFS model, which demonstrate the effectiveness and feasibility of the proposed three-level cable-suspended feed system.

  15. In Situ Production of Graphene-Fiber Hybrid Structures

    DEFF Research Database (Denmark)

    Akia, Mandana; Cremar, Lee; Chipara, Mircea

    2017-01-01

    We report a scalable method to obtain a new material where large graphene sheets form webs linking carbon fibers. Film-fiber hybrid nonwoven mats are formed during fiber processing and converted to carbon structures after a simple thermal treatment. This contrasts with multistep methods that atte......We report a scalable method to obtain a new material where large graphene sheets form webs linking carbon fibers. Film-fiber hybrid nonwoven mats are formed during fiber processing and converted to carbon structures after a simple thermal treatment. This contrasts with multistep methods...... a capillarity effect that promoted the formation of thin veils, which become graphene sheets upon dehydration by sulfuric acid vapor followed by carbonization (at relatively low temperatures, below 800 °C). These veils extend over several micrometers within the pores of the fiber network, and consist...

  16. A novel organic-inorganic hybrid tandem solar cell with inverted structure

    Science.gov (United States)

    Bahrami, A.; Faez, R.

    2017-04-01

    A novel organic-inorganic hybrid tandem solar cell with inverted structure is proposed. This efficient double-junction hybrid tandem solar cell consists of a single-junction hydrogenated amorphous silicon (a-Si:H) subcell with n-i-p structure as front cell and a P3HT:PCBM organic subcell with inverted structure as back cell. In order to optimize the hybrid tandem cell, we have performed a simulation based on transfer matrix method. We have compared the characteristics of this novel structure with a conventional structure. As a result, a power conversion efficiency (PCE) of 6.1 and 24% improvement compared to the conventional hybrid tandem cell was achieved. We also discuss the high potential of this novel structure for realizing high-stability organic-inorganic hybrid photovoltaic devices.

  17. Accurate energy bands calculated by the hybrid quasiparticle self-consistent GW method implemented in the ecalj package

    Science.gov (United States)

    Deguchi, Daiki; Sato, Kazunori; Kino, Hiori; Kotani, Takao

    2016-05-01

    We have recently implemented a new version of the quasiparticle self-consistent GW (QSGW) method in the ecalj package released at http://github.com/tkotani/ecalj. Since the new version of the ecalj package is numerically stable and more accurate than the previous versions, we can perform calculations easily without being bothered with tuning input parameters. Here we examine its ability to describe energy band properties, e.g., band-gap energy, eigenvalues at special points, and effective mass, for a variety of semiconductors and insulators. We treat C, Si, Ge, Sn, SiC (in 2H, 3C, and 4H structures), (Al, Ga, In) × (N, P, As, Sb), (Zn, Cd, Mg) × (O, S, Se, Te), SiO2, HfO2, ZrO2, SrTiO3, PbS, PbTe, MnO, NiO, and HgO. We propose that a hybrid QSGW method, where we mix 80% of QSGW and 20% of LDA, gives universally good agreement with experiments for these materials.

  18. Model-based optimal control of a hybrid power generation system consisting of photovoltaic arrays and fuel cells

    Science.gov (United States)

    Zervas, P. L.; Sarimveis, H.; Palyvos, J. A.; Markatos, N. C. G.

    Hybrid renewable energy systems are expected to become competitive to conventional power generation systems in the near future and, thus, optimization of their operation is of particular interest. In this work, a hybrid power generation system is studied consisting of the following main components: photovoltaic array (PV), electrolyser, metal hydride tanks, and proton exchange membrane fuel cells (PEMFC). The key advantage of the hybrid system compared to stand-alone photovoltaic systems is that it can store efficiently solar energy by transforming it to hydrogen, which is the fuel supplied to the fuel cell. However, decision making regarding the operation of this system is a rather complicated task. A complete framework is proposed for managing such systems that is based on a rolling time horizon philosophy.

  19. Polarized light source based on graphene-nanoribbon hybrid structure

    Science.gov (United States)

    Xu, Pengfei; Zhang, Han; Qian, Haoliang; Chen, Bigeng; Jiang, Xiaoshun; Wu, Yuanpeng; Liu, Xiaowei; Liu, Xu; Yang, Qing

    2017-07-01

    Nanoscale light source is the key element for on-chip integrated optical communication system. As an important property of light source, polarization can be exploited to improve the information capacity of optical communication and the sensitivity of optical sensing. We demonstrate a novel TE-polarized light source based on graphene-nanoribbon (G-NR) hybrid structure. Thanks to the polarizing dependent absorption along graphene layer, the random polarized emission of nanoribbon (NR) can be transferred into the same TE polarization. In addition, lasing action in G-NR hybrid structure is also investigated. We attribute the polarization control to the differential attenuation of electromagnetic modes in graphene. Our simulation revealed electromagnetic field distribution and far field polar images of TE and TM modes in nanoribbon, which is consistent with experimental results. The compact G-NR hybrid structure light source offers a new way to realize the polarization controllable nanoscale light source and facilitate the practical applications of nanowire or nanoribbon light source.

  20. High performance hybrid magnetic structure for biotechnology applications

    Science.gov (United States)

    Humphries, David E [El Cerrito, CA; Pollard, Martin J [El Cerrito, CA; Elkin, Christopher J [San Ramon, CA

    2009-02-03

    The present disclosure provides a high performance hybrid magnetic structure made from a combination of permanent magnets and ferromagnetic pole materials which are assembled in a predetermined array. The hybrid magnetic structure provides means for separation and other biotechnology applications involving holding, manipulation, or separation of magnetic or magnetizable molecular structures and targets. Also disclosed are further improvements to aspects of the hybrid magnetic structure, including additional elements and for adapting the use of the hybrid magnetic structure for use in biotechnology and high throughput processes.

  1. Decentralized Method for Load Sharing and Power Management in a Hybrid Single/Three-Phase Islanded Microgrid Consisting of Hybrid Source PV/Battery Units

    DEFF Research Database (Denmark)

    Karimi, Yaser; Oraee, Hashem; Guerrero, Josep M.

    2017-01-01

    This paper proposes a new decentralized power management and load sharing method for a photovoltaic based, hybrid single/three-phase islanded microgrid consisting of various PV units, battery units and hybrid PV/battery units. The proposed method is not limited to the systems with separate PV...... and battery units, and power flow among different phases is performed automatically through three-phase units. The proposed method takes into account the available PV power and battery conditions of the units to share the load among them. To cover all possible conditions of the microgrid, the operation...... in different load, PV generation and battery conditions is validated experimentally in a microgrid lab prototype consisted of one three-phase unit and two single-phase units....

  2. A Hybrid EAV-Relational Model for Consistent and Scalable Capture of Clinical Research Data.

    Science.gov (United States)

    Khan, Omar; Lim Choi Keung, Sarah N; Zhao, Lei; Arvanitis, Theodoros N

    2014-01-01

    Many clinical research databases are built for specific purposes and their design is often guided by the requirements of their particular setting. Not only does this lead to issues of interoperability and reusability between research groups in the wider community but, within the project itself, changes and additions to the system could be implemented using an ad hoc approach, which may make the system difficult to maintain and even more difficult to share. In this paper, we outline a hybrid Entity-Attribute-Value and relational model approach for modelling data, in light of frequently changing requirements, which enables the back-end database schema to remain static, improving the extensibility and scalability of an application. The model also facilitates data reuse. The methods used build on the modular architecture previously introduced in the CURe project.

  3. Traffic flow characteristics in a mixed traffic system consisting of ACC vehicles and manual vehicles: A hybrid modelling approach

    Science.gov (United States)

    Yuan, Yao-Ming; Jiang, Rui; Hu, Mao-Bin; Wu, Qing-Song; Wang, Ruili

    2009-06-01

    In this paper, we have investigated traffic flow characteristics in a traffic system consisting of a mixture of adaptive cruise control (ACC) vehicles and manual-controlled (manual) vehicles, by using a hybrid modelling approach. In the hybrid approach, (i) the manual vehicles are described by a cellular automaton (CA) model, which can reproduce different traffic states (i.e., free flow, synchronised flow, and jam) as well as probabilistic traffic breakdown phenomena; (ii) the ACC vehicles are simulated by using a car-following model, which removes artificial velocity fluctuations due to intrinsic randomisation in the CA model. We have studied the traffic breakdown probability from free flow to congested flow, the phase transition probability from synchronised flow to jam in the mixed traffic system. The results are compared with that, where both ACC vehicles and manual vehicles are simulated by CA models. The qualitative and quantitative differences are indicated.

  4. A gold hybrid structure as optical coupler for quantum well infrared photodetector

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Jiayi; Li, Qian; Jing, Youliang [National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, 500 Yu Tian Road, Shanghai 200083 (China); Chen, Xiaoshuang, E-mail: xschen@mail.sitp.ac.cn; Li, Zhifeng; Li, Ning; Lu, Wei [National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, 500 Yu Tian Road, Shanghai 200083 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2014-08-28

    A hybrid structure consisting of a square lattice of gold disk arrays and an overlaying gold film is proposed as an optical coupler for a backside-illuminated quantum well infrared photodetector (QWIP). Finite difference time-domain method is used to numerically simulate the reflection spectra and the field distributions of the hybrid structure combined with the QWIP device. The results show that the electric field component perpendicular to the quantum well is strongly enhanced when the plasmonic resonant wavelength of the hybrid structure coincides with the response one of the quantum well infrared photodetector regardless of the polarization of the incident light. The effect of the diameter and thickness of an individual gold disk on the resonant wavelength is also investigated, which indicates that the localized surface plasmon also plays a role in the light coupling with the hybrid structure. The coupling efficiency can exceed 50 if the structural parameters of the gold disk arrays are well optimized.

  5. Hazard consistent structural demands and in-structure design response spectra

    Energy Technology Data Exchange (ETDEWEB)

    Houston, Thomas W [Los Alamos National Laboratory; Costantino, Michael C [Los Alamos National Laboratory; Costantino, Carl J [Los Alamos National Laboratory

    2009-01-01

    Current analysis methodology for the Soil Structure Interaction (SSI) analysis of nuclear facilities is specified in ASCE Standard 4. This methodology is based on the use of deterministic procedures with the intention that enough conservatism is included in the specified procedures to achieve an 80% probability of non-exceedance in the computed response of a Structure, System. or Component for given a mean seismic design input. Recently developed standards are aimed at achieving performance-based, risk consistent seismic designs that meet specified target performance goals. These design approaches rely upon accurately characterizing the probability (hazard) level of system demands due to seismic loads consistent with Probabilistic Seismic Hazard Analyses. This paper examines the adequacy of the deterministic SSI procedures described in ASCE 4-98 to achieve an 80th percentile of Non-Exceedance Probability (NEP) in structural demand, given a mean seismic input motion. The study demonstrates that the deterministic procedures provide computed in-structure response spectra that are near or greater than the target 80th percentile NEP for site profiles other than those resulting in high levels of radiation damping. The deterministic procedures do not appear to be as robust in predicting peak accelerations, which correlate to structural demands within the structure.

  6. Genetic structure in a dynamic baboon hybrid zone corroborates behavioural observations in a hybrid population

    NARCIS (Netherlands)

    Charpentier, M J E; Fontaine, M C; Cherel, E; Renoult, J P; Jenkins, T; Benoit, L; Barthès, N; Alberts, S C; Tung, J

    2012-01-01

    Behaviour and genetic structure are intimately related: mating patterns and patterns of movement between groups or populations influence the movement of genetic variation across the landscape and from one generation to the next. In hybrid zones, the behaviour of the hybridizing taxa can also impact

  7. Silicone-containing aqueous polymer dispersions with hybrid particle structure.

    Science.gov (United States)

    Kozakiewicz, Janusz; Ofat, Izabela; Trzaskowska, Joanna

    2015-09-01

    In this paper the synthesis, characterization and application of silicone-containing aqueous polymer dispersions (APD) with hybrid particle structure are reviewed based on available literature data. Advantages of synthesis of dispersions with hybrid particle structure over blending of individual dispersions are pointed out. Three main processes leading to silicone-containing hybrid APD are identified and described in detail: (1) emulsion polymerization of organic unsaturated monomers in aqueous dispersions of silicone polymers or copolymers, (2) emulsion copolymerization of unsaturated organic monomers with alkoxysilanes or polysiloxanes with unsaturated functionality and (3) emulsion polymerization of alkoxysilanes (in particular with unsaturated functionality) and/or cyclic siloxanes in organic polymer dispersions. The effect of various factors on the properties of such hybrid APD and films as well as on hybrid particles composition and morphology is presented. It is shown that core-shell morphology where silicones constitute either the core or the shell is predominant in hybrid particles. Main applications of silicone-containing hybrid APD and related hybrid particles are reviewed including (1) coatings which show specific surface properties such as enhanced water repellency or antisoiling or antigraffiti properties due to migration of silicone to the surface, and (2) impact modifiers for thermoplastics and thermosets. Other processes in which silicone-containing particles with hybrid structure can be obtained (miniemulsion polymerization, polymerization in non-aqueous media, hybridization of organic polymer and polysiloxane, emulsion polymerization of silicone monomers in silicone polymer dispersions and physical methods) are also discussed. Prospects for further developments in the area of silicone-containing hybrid APD and related hybrid particles are presented.

  8. Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method

    CERN Document Server

    Smiga, Szymon; Mussard, Bastien; Buksztel, Adam; Grabowski, Ireneusz; Luppi, Eleonora; Toulouse, Julien

    2016-01-01

    We introduce an orbital-optimized double-hybrid (DH) scheme using the optimized-effective-potential (OEP) method. The orbitals are optimized using a local potential corresponding to the complete exchange-correlation energy expression including the second-order M{{\\o}}ller-Plesset (MP2) correlation contribution. We have implemented a one-parameter version of this OEP-based self-consistent DH scheme using the BLYP density-functional approximation and compared it to the corresponding non-self-consistent DH scheme for calculations on a few closed-shell atoms and molecules. While the OEP-based self-consistency does not provide any improvement for the calculations of ground-state total energies and ionization potentials, it does improve the accuracy of electron affinities and restores the meaning of the LUMO orbital energy as being connected to a neutral excitation energy. Moreover, the OEP-based self-consistent DH scheme provides reasonably accurate exchange-correlation potentials and correlated densities.

  9. Consistent structures and interactions by density functional theory with small atomic orbital basis sets

    Science.gov (United States)

    Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas

    2015-08-01

    A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods

  10. Consistent structures and interactions by density functional theory with small atomic orbital basis sets.

    Science.gov (United States)

    Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas

    2015-08-07

    A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods

  11. Consistent structures and interactions by density functional theory with small atomic orbital basis sets

    Energy Technology Data Exchange (ETDEWEB)

    Grimme, Stefan, E-mail: grimme@thch.uni-bonn.de; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas [Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Rheinische Friedrich-Wilhelms Universität Bonn, Beringstraße 4, 53115 Bonn (Germany)

    2015-08-07

    A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of “low-cost” electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT

  12. Optical fiber-based core-shell coaxially structured hybrid cells for self-powered nanosystems

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Caofeng; Zhu, Guang [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia (United States); Guo, Wenxi [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia (United States); State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005 (China); Dong, Lin [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia (United States); School of Materials Science and Enginnering, Zhenzhou University, Zhenghou 450001 (China); Wang, Zhong Lin [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia (United States); Beijing Institute of Nanoenergy and Nanosystems, Chinese Academy of Sciences, Beijing (China)

    2012-07-03

    An optical fiber-based 3D hybrid cell consisting of a coaxially structured dye-sensitized solar cell (DSSC) and a nanogenerator (NG) for simultaneously or independently harvesting solar and mechanical energy is demonstrated. The current output of the hybrid cell is dominated by the DSSC, and the voltage output is dominated by the NG; these can be utilized complementarily for different applications. The output of the hybrid cell is about 7.65 {mu}A current and 3.3 V voltage, which is strong enough to power nanodevices and even commercial electronic components. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Consistent Atomic Geometries and Electronic Structure of Five Phases of Potassium Niobate from Density-Functional Theory

    Directory of Open Access Journals (Sweden)

    Falko Schmidt

    2017-01-01

    Full Text Available We perform a comprehensive theoretical study of the structural and electronic properties of potassium niobate (KNbO3 in the cubic, tetragonal, orthorhombic, monoclinic, and rhombohedral phase, based on density-functional theory. The influence of different parametrizations of the exchange-correlation functional on the investigated properties is analyzed in detail, and the results are compared to available experimental data. We argue that the PBEsol and AM05 generalized gradient approximations as well as the RTPSS meta-generalized gradient approximation yield consistently accurate structural data for both the external and internal degrees of freedom and are overall superior to the local-density approximation or other conventional generalized gradient approximations for the structural characterization of KNbO3. Band-structure calculations using a HSE-type hybrid functional further indicate significant near degeneracies of band-edge states in all phases which are expected to be relevant for the optical response of the material.

  14. Geographic variation in the structure of oak hybrid zones provides insights into the dynamics of speciation.

    Science.gov (United States)

    Zeng, Yan-Fei; Liao, Wan-Jin; Petit, Rémy J; Zhang, Da-Yong

    2011-12-01

    Studying geographic variation in the rate of hybridization between closely related species could provide a useful window on the evolution of reproductive isolation. Reinforcement theory predicts greater prezygotic isolation in areas of prolonged contact between recently diverged species than in areas of recent contact, which implies that old contact zones would be dominated by parental phenotypes with few hybrids (bimodal hybrid zones), whereas recent contact zones would be characterized by hybrid swarms (unimodal hybrid zones). Here, we investigate how the hybrid zones of two closely related Chinese oaks, Quercus mongolica and Q. liaotungensis, are structured geographically using both nuclear and chloroplast markers. We found that populations of Q. liaotungensis located around the Changbai Mountains in Northeast China, an inferred glacial refugium, were introgressed by genes from Q. mongolica, suggesting historical contact between the two species in this region. However, these introgressed populations form sharp bimodal hybrid zones with Q. mongolica. In contrast, populations of Q. liaotungensis located in North China, which show no sign of ancient introgression with Q. mongolica, form unimodal hybrid zones with Q. mongolica. These results are consistent with the hypothesis that selection against hybrids has had sufficient time to reinforce the reproductive barriers between Q. liaotungensis and Q. mongolica in Northeast China but not in North China.

  15. Long range energy transfer in graphene hybrid structures

    Science.gov (United States)

    Gonçalves, Hugo; Bernardo, César; Moura, Cacilda; Ferreira, R. A. S.; André, P. S.; Stauber, Tobias; Belsley, Michael; Schellenberg, Peter

    2016-08-01

    In this work we quantify the distance dependence for the extraction of energy from excited chromophores by a single layer graphene flake over a large separation range. To this end hybrid structures were prepared, consisting of a thin (2 nm) layer of a polymer matrix doped with a well chosen strongly fluorescent organic molecule, followed by an un-doped spacer layer of well-defined thicknesses made of the same polymer material and an underlying single layer of pristine, undoped graphene. The coupling strength is assessed through the variation of the fluorescence decay kinetics as a function of distance between the graphene and the excited chromophore molecules. Non-radiative energy transfer to the graphene was observed at distances of up to 60 nm a range much greater than typical energy transfer distances observed in molecular systems.

  16. Advanced fiber-composite hybrids--A new structural material

    Science.gov (United States)

    Chamis, C. C.; Lark, R. F.; Sullivan, T. L.

    1974-01-01

    Introduction of metal foil as part of matrix and fiber composite, or ""sandwich'', improves strength and stiffness for multidirectional loading, improves resistance to cyclic loading, and improves impact and erosion resistance of resultant fiber-composite hybrid structure.

  17. Designing CNC Knit for Hybrid Membrane And Bending Active Structures

    DEFF Research Database (Denmark)

    Tamke, Martin; Holden Deleuran, Anders; Gengnagel, Christoph

    2015-01-01

    Recent advances in computation allow for the integration of design and simulation of highly interrelated systems, such as hybrids of structural membranes and bending active elements. The engaged complexities of forces and logistics can be mediated through the development of materials with project...... means to design, specify, make and test CNC knit as material for hybrid structures in architectural scale. This paper shares the developed process, identifies challenges, potentials and future work...

  18. ON THE STABILIZATION OF THE LINEAR HYBRID SYSTEM STRUCTURE

    Directory of Open Access Journals (Sweden)

    Kirillov

    2014-11-01

    Full Text Available The linear control hybrid system, consisting of a fi- nite set of subsystems (modes having different dimensions, is considered. The moments of reset time are determined by some complementary function – evolutionary time. This function satisfies the special complementary ordinary differential equation. The mode stabilization problem is solved for some class of piecewise linear controls. The method of stabilization relies on the set of invariant planes, the existence of which is due to the special form of the hybrid system.

  19. New adders using hybrid circuit consisting of three-gate single-electron transistors (TG-SETs) and MOSFETs.

    Science.gov (United States)

    Yu, YunSeop; Choi, JungBum

    2007-11-01

    A half-adder (HA) and a full-adder (FA) using hybrid circuits combining three-gate single-electron transistors (TG-SETs) with metal-oxide-semiconductor field-effect-transistors (MOSFETs) are proposed. The proposed HA consists of three TG-SETs, two enhanced-mode NMOSFETs, and two depletion-mode NMOSFETs, and the proposed FA consists of eight TG-SETs, two enhanced-mode NMOSFETs, and two depletion-mode NMOSFETs. The complexities in the HA and the FA are 7 and 12, respectively, and the worst-case delays in the HA and the FA are 1.48 ns and 2.25 ns, respectively. Compared with the conventional CMOS FA with 0.35 microm technology, the proposed FA can be constructed with 0.43 of devices, and can operate with 3.5 of worst-case delay, 1/534 of average power consumption, and 1/152 of power-delay-product (PDP). The proposed HA and FA can be operated as a half-subtractor (HS) and a full-subtractor (FS) in the case when the levels of the control gates in the HA and the FA are fitly determined. The basic operations of the proposed HA and the proposed FA have been successfully confirmed through SPICE circuit simulation based on the physical device model of TG-SETs.

  20. Hybrid Optimization in the Design of Reciprocal Structures

    DEFF Research Database (Denmark)

    Parigi, Dario; Kirkegaard, Poul Henning; Sassone, Mario

    2012-01-01

    The paper presents a method to generate the geometry of reciprocal structures by means of a hybrid optimization procedure. The geometry of reciprocal structures where elements are sitting on the top or in the bottom of each other is extremely difficult to predict because of the non...... is then applied to a recent example of free-form reciprocal structure....

  1. Heterogeneous genome divergence, differential introgression, and the origin and structure of hybrid zones.

    Science.gov (United States)

    Harrison, Richard G; Larson, Erica L

    2016-06-01

    Hybrid zones have been promoted as windows on the evolutionary process and as laboratories for studying divergence and speciation. Patterns of divergence between hybridizing species can now be characterized on a genomewide scale, and recent genome scans have focused on the presence of 'islands' of divergence. Patterns of heterogeneous genomic divergence may reflect differential introgression following secondary contact and provide insights into which genome regions contribute to local adaptation, hybrid unfitness and positive assortative mating. However, heterogeneous genome divergence can also arise in the absence of any gene flow, as a result of variation in selection and recombination across the genome. We suggest that to understand hybrid zone origins and dynamics, it is essential to distinguish between genome regions that are divergent between pure parental populations and regions that show restricted introgression where these populations interact in hybrid zones. The latter, more so than the former, reveal the likely genetic architecture of reproductive isolation. Mosaic hybrid zones, because of their complex structure and multiple contacts, are particularly good subjects for distinguishing primary intergradation from secondary contact. Comparisons among independent hybrid zones or transects that involve the 'same' species pair can also help to distinguish between divergence with gene flow and secondary contact. However, data from replicate hybrid zones or replicate transects do not reveal consistent patterns; in a few cases, patterns of introgression are similar across independent transects, but for many taxa, there is distinct lack of concordance, presumably due to variation in environmental context and/or variation in the genetics of the interacting populations.

  2. Hybrid experimental/analytical models of structural dynamics - Creation and use for predictions

    Science.gov (United States)

    Balmes, Etienne

    1993-01-01

    An original complete methodology for the construction of predictive models of damped structural vibrations is introduced. A consistent definition of normal and complex modes is given which leads to an original method to accurately identify non-proportionally damped normal mode models. A new method to create predictive hybrid experimental/analytical models of damped structures is introduced, and the ability of hybrid models to predict the response to system configuration changes is discussed. Finally a critical review of the overall methodology is made by application to the case of the MIT/SERC interferometer testbed.

  3. Isolation and Characterization of a Hybrid Respiratory Supercomplex Consisting of Mycobacterium tuberculosis Cytochrome bcc and Mycobacterium smegmatis Cytochrome aa3.

    Science.gov (United States)

    Kim, Mi-Sun; Jang, Jichan; Ab Rahman, Nurlilah Binte; Pethe, Kevin; Berry, Edward A; Huang, Li-Shar

    2015-06-05

    Recently, energy production pathways have been shown to be viable antitubercular drug targets to combat multidrug-resistant tuberculosis and eliminate pathogen in the dormant state. One family of drugs currently under development, the imidazo[1,2-a]pyridine derivatives, is believed to target the pathogen's homolog of the mitochondrial bc1 complex. This complex, denoted cytochrome bcc, is highly divergent from mitochondrial Complex III both in subunit structure and inhibitor sensitivity, making it a good target for drug development. There is no soluble cytochrome c in mycobacteria to transport electrons from the bcc complex to cytochrome oxidase. Instead, the bcc complex exists in a "supercomplex" with a cytochrome aa3-type cytochrome oxidase, presumably allowing direct electron transfer. We describe here purification and initial characterization of the mycobacterial cytochrome bcc-aa3 supercomplex using a strain of M. smegmatis that has been engineered to express the M. tuberculosis cytochrome bcc. The resulting hybrid supercomplex is stable during extraction and purification in the presence of dodecyl maltoside detergent. It is hoped that this purification procedure will potentiate functional studies of the complex as well as crystallographic studies of drug binding and provide structural insight into a third class of the bc complex superfamily.

  4. A Structural Model Decomposition Framework for Hybrid Systems Diagnosis

    Science.gov (United States)

    Daigle, Matthew; Bregon, Anibal; Roychoudhury, Indranil

    2015-01-01

    Nowadays, a large number of practical systems in aerospace and industrial environments are best represented as hybrid systems that consist of discrete modes of behavior, each defined by a set of continuous dynamics. These hybrid dynamics make the on-line fault diagnosis task very challenging. In this work, we present a new modeling and diagnosis framework for hybrid systems. Models are composed from sets of user-defined components using a compositional modeling approach. Submodels for residual generation are then generated for a given mode, and reconfigured efficiently when the mode changes. Efficient reconfiguration is established by exploiting causality information within the hybrid system models. The submodels can then be used for fault diagnosis based on residual generation and analysis. We demonstrate the efficient causality reassignment, submodel reconfiguration, and residual generation for fault diagnosis using an electrical circuit case study.

  5. An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction

    Energy Technology Data Exchange (ETDEWEB)

    Albaugh, Alex [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720 (United States); Demerdash, Omar [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Head-Gordon, Teresa, E-mail: thg@berkeley.edu [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720 (United States); Department of Chemistry, University of California, Berkeley, California 94720 (United States); Department of Bioengineering, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, University of California, Berkeley, California 94720 (United States)

    2015-11-07

    We have adapted a hybrid extended Lagrangian self-consistent field (EL/SCF) approach, developed for time reversible Born Oppenheimer molecular dynamics for quantum electronic degrees of freedom, to the problem of classical polarization. In this context, the initial guess for the mutual induction calculation is treated by auxiliary induced dipole variables evolved via a time-reversible velocity Verlet scheme. However, we find numerical instability, which is manifested as an accumulation in the auxiliary velocity variables, that in turn results in an unacceptable increase in the number of SCF cycles to meet even loose convergence tolerances for the real induced dipoles over the course of a 1 ns trajectory of the AMOEBA14 water model. By diagnosing the numerical instability as a problem of resonances that corrupt the dynamics, we introduce a simple thermostating scheme, illustrated using Berendsen weak coupling and Nose-Hoover chain thermostats, applied to the auxiliary dipole velocities. We find that the inertial EL/SCF (iEL/SCF) method provides superior energy conservation with less stringent convergence thresholds and a correspondingly small number of SCF cycles, to reproduce all properties of the polarization model in the NVT and NVE ensembles accurately. Our iEL/SCF approach is a clear improvement over standard SCF approaches to classical mutual induction calculations and would be worth investigating for application to ab initio molecular dynamics as well.

  6. Predicting Grade Point Average from the Hybrid Model of Learning in Personality: Consistent Findings from Ugandan and Australian Students

    Science.gov (United States)

    Jackson, Chris; Baguma, Peter; Furnham, Adrian

    2009-01-01

    Jackson developed a hybrid model of learning in personality, known as the Learning Styles Profiler (LSP), which seeks to explain personality in terms of biological, socio-cognitive and experiential processes. The hybrid model argues that functional learning outcomes can be understood in terms of how cognitions and experiences re-express sensation…

  7. Calibrated and Interactive Modelling of Form-Active Hybrid Structures

    DEFF Research Database (Denmark)

    Quinn, Gregory; Holden Deleuran, Anders; Piker, Daniel

    2016-01-01

    Form-active hybrid structures (FAHS) couple two or more different structural elements of low self weight and low or negligible bending flexural stiffness (such as slender beams, cables and membranes) into one structural assembly of high global stiffness. They offer high load-bearing capacity...... materially-informed sketching. Making use of a projection-based dynamic relaxation solver for structural analysis, explorative design has proven to be highly effective....

  8. Nafion–clay hybrids with a network structure

    KAUST Repository

    Burgaz, Engin

    2009-05-01

    Nafion-clay hybrid membranes with a unique microstructure were synthesized using a fundamentally new approach. The new approach is based on depletion aggregation of suspended particles - a well-known phenomenon in colloids. For certain concentrations of clay and polymer, addition of Nafion solution to clay suspensions in water leads to a gel. Using Cryo-TEM we show that the clay particles in the hybrid gels form a network structure with an average cell size in the order of 500 nm. The hybrid gels are subsequently cast to produce hybrid Nafion-clay membranes. Compared to pure Nafion the swelling of the hybrid membranes in water and methanol is dramatically reduced while their selectivity (ratio of conductivity over permeability) increases. The small decrease of ionic conductivity for the hybrid membranes is more than compensated by the large decrease in methanol permeability. Lastly the hybrid membranes are much stiffer and can withstand higher temperatures compared to pure Nafion. Both of these characteristics are highly desirable for use in fuel cell applications, since a) they will allow the use of a thinner membrane circumventing problems associated with the membrane resistance and b) enable high temperature applications. © 2009 Elsevier Ltd. All rights reserved.

  9. On the internal consistency of the term structure of forecasts of housing starts

    DEFF Research Database (Denmark)

    Pierdzioch, C.; Rulke, J. C.; Stadtmann, G.

    2013-01-01

    We use the term structure of forecasts of housing starts to test for rationality of forecasts. Our test is based on the idea that short-term and long-term forecasts should be internally consistent. We test the internal consistency of forecasts using data for Australia, Canada, Japan and the Unite...... States. Using a simple model of forecast formation, we find that forecasts are not internally consistent, leading to a rejection of forecast rationality....

  10. Nanofiber of ultra-structured aluminum and zirconium oxide hybrid.

    Science.gov (United States)

    Kim, Hae-Won; Kim, Hyoun-Ee

    2006-02-01

    An internally ultrastructured Al- and Zr-oxide hybrid was developed into a nanofiber. As a precursor for the generation of nanofiber, a hybridized sol was prepared using the Pechini-type sol-gel process, whereby the Al- and Zr-metallic ions were to be efficiently distributed and stabilized within the polymeric network. The hybridized sol was subsequently electrospun and heat treated to a nanofiber with diameters of tens to hundreds of nanometers. The internal structure of the nanofiber was organized at the molecular level, with the Al- and Zr-oxide regions being interspaced at distances of less than ten nanometers. This ultrastructured Al- and Zr-oxide hybrid nanofiber is considered to be potentially applicable in numerous fields.

  11. Topologically ordered magnesium-biopolymer hybrid composite structures.

    Science.gov (United States)

    Oosterbeek, Reece N; Seal, Christopher K; Staiger, Mark P; Hyland, Margaret M

    2015-01-01

    Magnesium and its alloys are intriguing as possible biodegradable biomaterials due to their unique combination of biodegradability and high specific mechanical properties. However, uncontrolled biodegradation of magnesium during implantation remains a major challenge in spite of the use of alloying and protective coatings. In this study, a hybrid composite structure of magnesium metal and a biopolymer was fabricated as an alternative approach to control the corrosion rate of magnesium. A multistep process that combines metal foam production and injection molding was developed to create a hybrid composite structure that is topologically ordered in all three dimensions. Preliminary investigations of the mechanical properties and corrosion behavior exhibited by the hybrid Mg-polymer composite structures suggest a new potential approach to the development of Mg-based biomedical devices.

  12. Development of Control Structure for Hybrid Wind Generators with Active Power Capability

    Directory of Open Access Journals (Sweden)

    Mehdi Niroomand

    2014-01-01

    Full Text Available A hierarchical control structure is proposed for hybrid energy systems (HES which consist of wind energy system (WES and energy storage system (ESS. The proposed multilevel control structure consists of four blocks: reference generation and mode select, power balancing, control algorithms, and switching control blocks. A high performance power management strategy is used for the system. Also, the proposed system is analyzed as an active power filter (APF with ability to control the voltage, to compensate the harmonics, and to deliver active power. The HES is designed with parallel DC coupled structure. Simulation results are shown for verification of the theoretical analysis.

  13. Consistency of Semantic Meaning with Structure andFunction in English Writing

    Institute of Scientific and Technical Information of China (English)

    马文静; 张丽婧

    2015-01-01

    Writing is one of the skills most difficult to train and develop.Although writing can be circumvented in many cases bysome people, modern civilization is imposing increasing demands on our ability to write, and write well. In English writing,consistency of semantic meaning with structure and function in English writing is a very important part to evaluate the quality ofwriting.In student's English academic writing, there are different writing types. The consistency of semanticmeaning with structureand function in different academic writings is various. In this thesis, the consistency of the semantic meaning with structure andfunction in the essay and academic and report writing is analyzed.

  14. 混合场景中光照一致性研究%Research of illumination consistency in hybrid scene

    Institute of Scientific and Technical Information of China (English)

    叶东文; 陈国栋

    2015-01-01

    在基于本地与远程绘制的混合场景中,为了实现本地绘制场景与远程绘制场景的无缝融合,光照一致性是必须解决的问题。在服务器端绘制所需的复杂背景,在移动终端绘制交互对象,并在场景中使用相同的光照模型。在融合阶段利用服务器端所传递的光照参数对本地移动终端的光照模型进行光照重计算。利用时间插值的方法来模拟一天中环境光的变化情况,并对本地移动终端中的光照模型进行二次重计算。实验结果表明,通过上述方法,在移动终端上实现了不同场景的无缝融合。该方法用于移动终端的场景融合时具有较高的绘制效率与可行性。%Illumination consistency is a problem that must be addressed to reach the seamless integration of local rendering scene and remote rendering scene in a hybrid scene of local and remote rendering.This paper was aim to address the illumina-tion consistency problem.Firstly,it drawn the complex background on the server and drawn the interactive objects on the mo-bile terminal.While drawing the same illumination model was used.Secondly,it used the illumination parameters transmitted by the server to recalculate the illumination parameters for the illumination model on the local mobile terminal in the integration phase.Lastly,used the time interpolation method to simulate the changes of the ambient light during the day and recalculate the illumination model on the local mobile terminal.The experimental results show that,through the above method,the seamless in-tegration of scene can be realized on the mobile terminal.The mothed used for the integration of scene has the high rendering efficiency and feasibility.

  15. A Novel Degradation Estimation Method for a Hybrid Energy Storage System Consisting of Battery and Double-Layer Capacitor

    OpenAIRE

    Yuanbin Yu; Dongdong Zhang; Haitao Min; Yi Tang; Tao Zhu(GCAP-CASPER, Physics Department, Baylor University, One Bear Place, # 97316, Waco, TX 76798-7316, U.S.A.)

    2016-01-01

    This paper presents a new method for battery degradation estimation using a power-energy (PE) function in a battery/ultracapacitor hybrid energy storage system (HESS), and the integrated optimization which concerns both parameters matching and control for HESS has been done as well. A semiactive topology of HESS with double-layer capacitor (EDLC) coupled directly with DC-link is adopted for a hybrid electric city bus (HECB). In the purpose of presenting the quantitative relationship between s...

  16. Ultracompact resonator with high quality-factor based on a hybrid grating structure

    DEFF Research Database (Denmark)

    Taghizadeh, Alireza; Mørk, Jesper; Chung, Il-Sug

    2015-01-01

    We numerically investigate the properties of a hybrid grating structure acting as a resonator with ultrahigh quality factor. This reveals that the physical mechanism responsible for the resonance is quite different from the conventional guided mode resonance (GMR). The hybrid grating consists...... of a subwavelength grating layer and an un-patterned high-refractive-index cap layer, being surrounded by low index materials. Since the cap layer may include a gain region, an ultracompact laser can be realized based on the hybrid grating resonator, featuring many advantages over high-contrast-grating resonator...... lasers. The effect of fabrication errors and finite size of the structure is investigated to understand the feasibility of fabricating the proposed resonator....

  17. Structural properties of maize hybrids established by infrared spectra

    Directory of Open Access Journals (Sweden)

    Radenović Čedomir N.

    2015-01-01

    Full Text Available This paper discusses the application of the infrared (IR spectroscopy method for determination of structural properties of maize hybrid grains. The IR spectrum of maize grain has been registered in the following hybrids: ZP 341, ZP 434 and ZP 505. The existence of spectral bands varying in both number and intensity, as well as their shape, frequency and kinetics have been determined. They have been determined by valence oscillations and deformation oscillations of the following organic compounds: alkanes, alkenes, alkynes, amides, alcohols, ethers, carboxylic acids, esters and aldehydes and ketones, characteristic for biogenic compounds such as carbohydrates, proteins and lipids. In this way, possible changes in the grain structure of observed maize hybrids could be detected.

  18. Hybrid Spintronic Structures With Magnetic Oxides and Heusler Alloys

    DEFF Research Database (Denmark)

    Xu, Y. B.; Hassan, S. S. A.; Wong, P. K. J.;

    2008-01-01

    Hybrid spintronic structures, integrating half-metallic magnetic oxides and Heusler alloys with their predicted high spin polarization, are important for the development of second-generation spintronics with high-efficient spin injection. We have synthesized epitaxial magnetic oxide Fe3O4 on GaAs...

  19. Exploratory Topology Modelling of Form-Active Hybrid Structures

    DEFF Research Database (Denmark)

    Holden Deleuran, Anders; Pauly, Mark; Tamke, Martin;

    2016-01-01

    The development of novel form-active hybrid structures (FAHS) is impeded by a lack of modelling tools that allow for exploratory topology modelling of shaped assemblies. We present a flexible and real-time computational design modelling pipeline developed for the exploratory modelling of FAHS tha...

  20. Self-consistent treatment of v-groove quantum wire band structure in no parabolic approximation

    Directory of Open Access Journals (Sweden)

    Crnjanski Jasna V.

    2004-01-01

    Full Text Available The self-consistent no parabolic calculation of a V-groove-quantum-wire (VQWR band structure is presented. A comparison with the parabolic flat-band model of VQWR shows that both, the self-consistency and the nonparabolicity shift sub band edges, in some cases even in the opposite directions. These shifts indicate that for an accurate description of inter sub band absorption, both effects have to be taken into the account.

  1. Selective Synthesis of Gasoline-Ranged Hydrocarbons from Syngas over Hybrid Catalyst Consisting of Metal-Loaded ZSM-5 Coupled with Copper-Zinc Oxide

    National Research Council Canada - National Science Library

    Ting Ma; Hiroyuki Imai; Manami Yamawaki; Kazusa Terasaka; Xiaohong Li

    2014-01-01

      The conversion of syngas (CO + H2) to gasoline-ranged hydrocarbons was carried out using a hybrid catalyst consisting of metal-loaded ZSM-5 coupled with Cu-ZnO in a near-critical n-hexane solvent...

  2. Hybridized Nano-Structure Composed of Metal and Polydiacetylene

    Institute of Scientific and Technical Information of China (English)

    H. Oikawa; A. Masuhara; T. Onodera; H. Kasai; H. Nakanishi

    2005-01-01

    @@ 1Introduction Polydiacetylene (PDA) is one of the promising candidates for organic third-order nonlinear optical (NLO) material, due to fast optical responsibility and easy processability in comparison with semiconductors etc. The magnitude of NLO property, however, is not still sufficient for the devices applications. Neeves, et al[1] theoretically predicted the enhancement of NLO property for core-shell type hybridized nanocrystal (NC) composed of PDA and metal. In the present study, we have prepared the two kinds of core-shell type hybridized nano-structure, and investigated their optical properties.

  3. Energetics and electronic structure of nanoscale rotors consisting of triptycene and hydrocarbon molecules

    Science.gov (United States)

    Akiba, Miki; Okada, Susumu

    2017-10-01

    Using the density functional theory with generalized gradient approximation, we studied the energetics and electronic structures of nanoscale rotors consisting of tryptycene and hydrocarbon molecules with respect to their mutual orientation. Energy barriers for the rotational motion of an attached hydrocarbon molecule range from 40 to 200 meV, depending on the attached molecular species and arrangements. The electronic structure of the nanoscale molecular rotors does not depend on the rotational angle of the attached hydrocarbon molecules.

  4. One-hundred-three compound band-structure benchmark of post-self-consistent spin-orbit coupling treatments in density functional theory

    Science.gov (United States)

    Huhn, William P.; Blum, Volker

    2017-08-01

    We quantify the accuracy of different non-self-consistent and self-consistent spin-orbit coupling (SOC) treatments in Kohn-Sham and hybrid density functional theory by providing a band-structure benchmark set for the valence and low-lying conduction energy bands of 103 inorganic compounds, covering chemical elements up to polonium. Reference energy band structures for the PBE density functional are obtained using the full-potential (linearized) augmented plane wave code wien2k, employing its self-consistent treatment of SOC including Dirac-type p1 /2 orbitals in the basis set. We use this benchmark set to benchmark a computationally simpler, non-self-consistent all-electron treatment of SOC based on scalar-relativistic orbitals and numeric atom-centered orbital basis functions. For elements up to Z ≈50 , both treatments agree virtually exactly. For the heaviest elements considered (Tl, Pb, Bi, Po), the band-structure changes due to SOC are captured with a relative deviation of 11% or less. For different density functionals (PBE versus the hybrid HSE06), we show that the effect of spin-orbit coupling is usually similar but can be dissimilar if the qualitative features of the predicted underlying scalar-relativistic band structures do not agree. All band structures considered in this work are available online via the NOMAD repository to aid in future benchmark studies and methods development.

  5. Calculation of hybrid joints used in modern aerospace structures

    Directory of Open Access Journals (Sweden)

    Marcel STERE

    2011-12-01

    Full Text Available The state – of - the art of aeronautical structures show that parts are manufactured and subsequently assembled with the use of fasteners and/ or bonding. Adhesive bonding is a key technology to low weight, high fatigue resistance, robustness and an attractive design for cost structures.The paper results resolve significant problems for two groups of end-users:1 for the aerospace design office: a robust procedure for the design of the hybrid joint structural components;2 for the aeronautical repair centres: a useful procedure for structural design and analysis with significant cost savings.

  6. Locally self-consistent Green’s function approach to the electronic structure problem

    DEFF Research Database (Denmark)

    Abrikosov, I.A.; Simak, S.I.; Johansson, B.;

    1997-01-01

    The locally self-consistent Green's function (LSGF) method is an order-N method for calculation of the electronic structure of systems with an arbitrary distribution of atoms of different kinds on an underlying crystal lattice. For each atom Dyson's equation is used to solve the electronic multiple...

  7. Optimization of hybrid antireflection structure integrating surface texturing and multi-layer interference coating

    Science.gov (United States)

    Kubota, Shigeru; Kanomata, Kensaku; Suzuki, Takahiko; Hirose, Fumihiko

    2014-10-01

    The antireflection structure (ARS) for solar cells is categorized to mainly two different techniques, i.e., the surface texturing and the single or multi-layer antireflection interference coating. In this study, we propose a novel hybrid ARS, which integrates moth eye texturing and multi-layer coat, for application to organic photovoltaics (OPVs). Using optical simulations based on the finite-difference time-domain (FDTD) method, we conduct nearly global optimization of the geometric parameters characterizing the hybrid ARS. The proposed optimization algorithm consists of two steps: in the first step, we optimize the period and height of moth eye array, in the absence of multi-layer coating. In the second step, we optimize the whole structure of hybrid ARS by using the solution obtained by the first step as the starting search point. The methods of the simple grid search and the Hooke and Jeeves pattern search are used for global and local searches, respectively. In addition, we study the effects of deviations in the geometric parameters of hybrid ARS from their optimized values. The design concept of hybrid ARS is highly beneficial for broadband light trapping in OPVs.

  8. Double Sided Si(Ge)/Sapphire/III-Nitride Hybrid Structure

    Science.gov (United States)

    Park, Yeonjoon (Inventor); Choi, Sang Hyouk (Inventor)

    2016-01-01

    One aspect of the present invention is a double sided hybrid crystal structure including a trigonal Sapphire wafer containing a (0001) C-plane and having front and rear sides. The Sapphire wafer is substantially transparent to light in the visible and infrared spectra, and also provides insulation with respect to electromagnetic radio frequency noise. A layer of crystalline Si material having a cubic diamond structure aligned with the cubic direction on the (0001) C-plane and strained as rhombohedron to thereby enable continuous integration of a selected (SiGe) device onto the rear side of the Sapphire wafer. The double sided hybrid crystal structure further includes an integrated III-Nitride crystalline layer on the front side of the Sapphire wafer that enables continuous integration of a selected III-Nitride device on the front side of the Sapphire wafer.

  9. Ab initio self-consistent x-ray absorption fine structure analysis for metalloproteins.

    Science.gov (United States)

    Dimakis, Nicholas; Bunker, Grant

    2006-12-01

    X-ray absorption fine structure is a powerful tool for probing the structures of metals in proteins in both crystalline and noncrystalline environments. Until recently, a fundamental problem in biological XAFS has been that ad hoc assumptions must be made concerning the vibrational properties of the amino acid residues that are coordinated to the metal to fit the data. Here, an automatic procedure for accurate structural determination of active sites of metalloproteins is presented. It is based on direct multiple-scattering simulation of experimental X-ray absorption fine structure spectra combining electron multiple scattering calculations with density functional theory calculations of vibrational modes of amino acid residues and the genetic algorithm differential evolution to determine a global minimum in the space of fitting parameters. Structure determination of the metalloprotein active site is obtained through a self-consistent iterative procedure with only minimal initial information.

  10. Selective Synthesis of Gasoline-Ranged Hydrocarbons from Syngas over Hybrid Catalyst Consisting of Metal-Loaded ZSM-5 Coupled with Copper-Zinc Oxide

    Directory of Open Access Journals (Sweden)

    Ting Ma

    2014-04-01

    Full Text Available The conversion of syngas (CO + H2 to gasoline-ranged hydrocarbons was carried out using a hybrid catalyst consisting of metal-loaded ZSM-5 coupled with Cu-ZnO in a near-critical n-hexane solvent. Methanol was synthesized from syngas over Cu-ZnO; subsequently, was converted to hydrocarbons through the formation of dimethyl ether (DME over the metal-loaded ZSM-5. When 0.5 wt% Pd/ZSM-5 and 5 wt% Cu/ZSM-5 among the metal-loaded ZSM-5 catalysts with Pd, Co, Fe or Cu were employed as a portion of the hybrid catalyst, the gasoline-ranged hydrocarbons were selectively produced (the gasoline-ranged hydrocarbons in all hydrocarbons: 59% for the hybrid catalyst with Pd/ZSM-5 and 64% for that with Cu/ZSM-5 with a similar CO conversion during the reaction. An increase in the Cu loading on ZSM-5 resulted in increasing the yield of the gasoline-ranged hydrocarbons, and in decreasing the yield of DME. Furthermore, the hybrid catalyst with Cu/ZSM-5 exhibited no deactivation for 30 h of the reaction. It was revealed that a hybrid catalyst containing Cu/ZSM-5 was efficient in the selective synthesis of gasoline-ranged hydrocarbons from syngas via methanol in the near-critical n-hexane fluid.

  11. On the Lagrangian structure of 3D consistent systems of asymmetric quad-equations

    CERN Document Server

    Boll, Raphael

    2011-01-01

    Recently, the first-named author gave a classification of 3D consistent 6-tuples of quad-equations with the tetrahedron property; several novel asymmetric 6-tuples have been found. Due to 3D consistency, these 6-tuples can be extended to discrete integrable systems on Z^m. We establish Lagrangian structures and flip-invariance of the action functional for the class of discrete integrable systems involving equations for which some of the biquadratics are non-degenerate and some are degenerate. This class covers, among others, some of the above mentioned novel systems.

  12. Brain anatomical structure segmentation by hybrid discriminative/generative models.

    Science.gov (United States)

    Tu, Z; Narr, K L; Dollar, P; Dinov, I; Thompson, P M; Toga, A W

    2008-04-01

    In this paper, a hybrid discriminative/generative model for brain anatomical structure segmentation is proposed. The learning aspect of the approach is emphasized. In the discriminative appearance models, various cues such as intensity and curvatures are combined to locally capture the complex appearances of different anatomical structures. A probabilistic boosting tree (PBT) framework is adopted to learn multiclass discriminative models that combine hundreds of features across different scales. On the generative model side, both global and local shape models are used to capture the shape information about each anatomical structure. The parameters to combine the discriminative appearance and generative shape models are also automatically learned. Thus, low-level and high-level information is learned and integrated in a hybrid model. Segmentations are obtained by minimizing an energy function associated with the proposed hybrid model. Finally, a grid-face structure is designed to explicitly represent the 3-D region topology. This representation handles an arbitrary number of regions and facilitates fast surface evolution. Our system was trained and tested on a set of 3-D magnetic resonance imaging (MRI) volumes and the results obtained are encouraging.

  13. Chlorine adlayer-templated growth of a hybrid inorganic-organic layered structure on Au(111)

    Science.gov (United States)

    Rzeźnicka, I. I.; Horino, H.; Yagyu, K.; Suzuki, T.; Kajimoto, S.; Fukumura, H.

    2016-10-01

    Growth of a hybrid inorganic-organic layered structure on the Au(111) surface using a one-step solution growth is reported. The hybrid structure is consist of 4,4‧-bipyridine [4,4‧-BiPyH2]2 + cations, Cl anions and Au adatoms, provided from substrate by means of the adsorbate-induced surface phase transition of a surface reconstruction. Its surface and bulk structures were characterized by scanning tunneling microscopy (STM), secondary ion mass spectrometry (SIMS), and Raman spectroscopy. STM results reveal growth of the first [4,4‧-BiPyH2]2 + layer on top of the p(√{ 3} ×√{ 3})" separators=", R 30 ° chlorine overlayer formed on the Au(111) surface. These two layers are found to provide a platform for a following three-dimensional growth facilitated by hydrogen bonding, aurophilic and π-π stacking interactions.

  14. Advanced Ceramic Matrix Composites with Multifunctional and Hybrid Structures

    Science.gov (United States)

    Singh, Mrityunjay; Morscher, Gregory N.

    2004-01-01

    Ceramic matrix composites are leading candidate materials for a number of applications in aeronautics, space, energy, and nuclear industries. Potential composite applications differ in their requirements for thickness. For example, many space applications such as "nozzle ramps" or "heat exchangers" require very thin (structures whereas turbine blades would require very thick parts (> or = 1 cm). Little is known about the effect of thickness on stress-strain behavior or the elevated temperature tensile properties controlled by oxidation diffusion. In this study, composites consisting of woven Hi-Nicalon (trademark) fibers a carbon interphase and CVI SiC matrix were fabricated with different numbers of plies and thicknesses. The effect of thickness on matrix crack formation, matrix crack growth and diffusion kinetics will be discussed. In another approach, hybrid fiber-lay up concepts have been utilized to "alloy" desirable properties of different fiber types for mechanical properties, thermal stress management, and oxidation resistance. Such an approach has potential for the C(sub I)-SiC and SiC(sub f)-SiC composite systems. CVI SiC matrix composites with different stacking sequences of woven C fiber (T300) layers and woven SiC fiber (Hi-Nicalon (trademark)) layers were fabricated. The results will be compared to standard C fiber reinforced CVI SiC matrix and Hi-Nicalon reinforced CVI SiC matrix composites. In addition, shear properties of these composites at different temperatures will also be presented. Other design and implementation issues will be discussed along with advantages and benefits of using these materials for various components in high temperature applications.

  15. Hybrid Optimization in the Design of Reciprocal Structures

    DEFF Research Database (Denmark)

    Parigi, Dario; Kirkegaard, Poul Henning; Sassone, Mario

    2012-01-01

    that explore the global domain of solutions as genetic algorithms (GAs). The benchmark tests show that when the control on the topology is required the best result is obtained by a hybrid approach that combines the global search of the GA with the local search of a GB algorithm. The optimization method......The paper presents a method to generate the geometry of reciprocal structures by means of a hybrid optimization procedure. The geometry of reciprocal structures where elements are sitting on the top or in the bottom of each other is extremely difficult to predict because of the non....... In this paper it is shown that the geometrically compatible position of the elements could be determined by local search algorithm gradient-based (GB). However the control on which bar sit on the top or in the bottom at each connection can be regarded as a topological problem and require the use of algorithms...

  16. Hybrid proper orthogonal decomposition formulation for linear structural dynamics

    Science.gov (United States)

    Placzek, A.; Tran, D.-M.; Ohayon, R.

    2008-12-01

    Hybrid proper orthogonal decomposition (PODh) formulation is a POD-based reduced-order modeling method where the continuous equation of the physical system is projected on the POD modes obtained from a discrete model of the system. The aim of this paper is to evaluate the hybrid POD formulation and to compare it with other POD formulations on the simple case of a linear elastic rod subject to prescribed displacements in the perspective of building reduced-order models for coupled fluid-structure systems in the future. In the first part of the paper, the hybrid POD is compared to two other formulations for the response to an initial condition: an approach based on the discrete finite elements equation of the rod called the discrete POD (PODd), and an analytical approach using the exact solution of the problem and consequently called the analytical POD (PODa). This first step is useful to ensure that the PODh performs well with respect to the other formulations. The PODh is therefore used afterwards for the forced motion response where a displacement is imposed at the free end of the rod. The main contribution of this paper lies in the comparison of three techniques used to take into account the non-homogeneous Dirichlet boundary condition with the hybrid POD: the first method relies on control functions, the second on the penalty method and the third on Lagrange multipliers. Finally, the robustness of the hybrid POD is investigated on two examples involving firstly the introduction of structural damping and secondly a nonlinear force applied at the free end of the rod.

  17. Structural consistency analysis of recombinant and wild-type human serum albumin

    Science.gov (United States)

    Cao, Hui-Ling; Sun, Li-Hua; Liu, Li; Li, Jian; Tang, Lin; Guo, Yun-Zhu; Mei, Qi-Bing; He, Jian-Hua; Yin, Da-Chuan

    2017-01-01

    Recombinant human serum albumin (rHSA) is potential alternatives for human serum albumin (HSA) which may ease severe shortage of HSA worldwide. In theory, rHSA and HSA are the same. Structure decides function. Therefore, the 3D structural consistency analysis of rHSA and HSA is outmost importance, which is the base of their function consistency. In this paper, the crystal structures of rHSA at resolution limit of 2.22 Å and HSA at 2.30 Å were determined by X-ray diffraction (XRD), which were deposited in the Protein Data Bank (PDB) with accession codes 4G03 (rHSA) and 4G04 (HSA). The differences between rHSA and HSA were systematically analyzed from the crystallization behavior, diffraction data and three-dimensional (3D) structure. The superimposed contrasted analysis indicated that rHSA and HSA achieved a structural similarity of 99% with an r.m.s. deviation of 0.397 Å for the corresponding overall Cα atoms. In addition, the number of α-helices in the rHSA or HSA molecule was verified to be 30. As a result, rHSA can potentially replace HSA. The study provides a theoretical and experimental basis for the clinical and additional applications of rHSA. Meanwhile, it is also a good example for applications of genetic engineering.

  18. Non-zero density-velocity consistency relations for large scale structures

    CERN Document Server

    Rizzo, Luca Alberto; Valageas, Patrick

    2016-01-01

    We present exact kinematic consistency relations for cosmological structures that do not vanish at equal times and can thus be measured in surveys. These rely on cross-correlations between the density and velocity, or momentum, fields. Indeed, the uniform transport of small-scale structures by long wavelength modes, which cannot be detected at equal times by looking at density correlations only, gives rise to a shift in the amplitude of the velocity field that could be measured. These consistency relations only rely on the weak equivalence principle and Gaussian initial conditions. They remain valid in the non-linear regime and for biased galaxy fields. They can be used to constrain non-standard cosmological scenarios or the large-scale galaxy bias.

  19. Hybrid competitive strategies, organizational structure, and firm performance

    OpenAIRE

    Pertusa Ortega, Eva María

    2008-01-01

    Comunicación presentada en SMS 28th Annual International Conference, Cologne, Germany, October 12-15, 2008. This paper analyzes the internal characteristics of organizational structure which have an influence on the development of hybrid competitive strategies and their link to firm performance. The study examines a sample of large Spanish firms belonging to different sectors by means of the Partial Least Squares (PLS) technique, using formative dimensions for competitive strategy and orga...

  20. Impact Resistance of Lightweight Hybrid Structures for Gas Turbine Engine Fan Containment Applications

    Science.gov (United States)

    Hebsur, Mohan G.; Noebe, Ronald D.; Revilock, Duane M.

    2003-01-01

    The ballistic impact resistance of hybrid composite sandwich structures was evaluated with the ultimate goal of developing new materials or structures for potential gas turbine engine fan containment applications. The sandwich structures investigated consisted of GLARE-5 laminates as face sheets with lightweight cellular metallic materials such as honeycomb, foam, and lattice block as a core material. The impact resistance of these hybrid sandwich structures was compared to GLARE-5 laminates and 2024-T3 Al sheet, which were tested as a function of areal weight (material thickness). The GLARE-5 laminates exhibited comparable impact properties to that of 2024-T3 Al at low areal weights, even though there were significant differences in the static tensile properties of these materials. The GLARE-5, however, did have a greater ballistic limit than straight aluminum sheet at higher areal weights. Furthermore, there is up to a 25% advantage in ballistic limit for the GLARE-5/foam sandwich structures compared to straight 2024-T3 Al. But no advantage in ballistic limit was observed between any of the hybrid sandwich structures and thicker versions of GLARE-5. Recommendations for future work are provided, based on these preliminary data.

  1. Extraordinary Magnetoresistance Effect in Semiconductor/Metal Hybrid Structure

    KAUST Repository

    Sun, Jian

    2013-06-27

    In this dissertation, the extraordinary magnetoresistance (EMR) effect in semiconductor/metal hybrid structures is studied to improve the performance in sensing applications. Using two-dimensional finite element simulations, the geometric dependence of the output sensitivity, which is a more relevant parameter for EMR sensors than the magnetoresistance (MR), is studied. The results show that the optimal geometry in this case is different from the geometry reported before, where the MR ratio was optimized. A device consisting of a semiconductor bar with length/width ratio of 5~10 and having only 2 contacts is found to exhibit the highest sensitivity. A newly developed three-dimensional finite element model is employed to investigate parameters that have been neglected with the two dimensional simulations utilized so far, i.e., thickness of metal shunt and arbitrary semiconductor/metal interface. The simulations show the influence of those parameters on the sensitivity is up to 10 %. The model also enables exploring the EMR effect in planar magnetic fields. In case of a bar device, the sensitivity to planar fields is about 15 % to 20 % of the one to perpendicular fields. 5 A “top-contacted” structure is proposed to reduce the complexity of fabrication, where neither patterning of the semiconductor nor precise alignment is required. A comparison of the new structure with a conventionally fabricated device shows that a similar magnetic field resolution of 24 nT/√Hz is obtained. A new 3-contact device is developed improving the poor low-field sensitivity observed in conventional EMR devices, resulting from its parabolic magnetoresistance response. The 3-contact device provides a considerable boost of the low field response by combining the Hall effect with the EMR effect, resulting in an increase of the output sensitivity by 5 times at 0.01 T compared to a 2-contact device. The results of this dissertation provide new insights into the optimization of EMR devices

  2. Nanodevices based on Membrane-Carbon Nanotube Hybrid Structures

    Science.gov (United States)

    Jin, Hye Jun; Kim, Tae Hyun; Namgung, Seon; Hong, Seunghun; Lee, Sang Hun; Park, Tai Hyun

    2010-03-01

    Proteins in cell membrane have been drawing attention due to their versatile functionalities such as ion transfer for neuronal activity and selective binding for sensory systems. However, it is still very difficult to manipulate and study those proteins because they easily lose their functionalities without lipid membranes. We developed a method to coat lipid membranes containing various functional membrane proteins on single-walled carbon nanotube (swCNT)-based field effect transistors (FETs). In this hybrid structure, the activity of membrane proteins can be monitored by underlying swCNT-FETs, allowing us to easily study the functionalities of membrane proteins. Furthermore, we built advanced devices based on these hybrid structures. For an example, we coated lipid membrane containing `olfactory receptors' on swCNT-FETs, resulting in `bioelectric nose' systems. The bioelectric nose system had high sensitivity and human nose-like selectivity to odorant molecules. This talk will also discuss about the future prospect of these membrane-CNT hybrid structures.

  3. Internal consistency and factor structure of 12-item general health questionnaire in visually impaired students

    Directory of Open Access Journals (Sweden)

    Ajay Kumar Bakhla

    2013-01-01

    Full Text Available Background: As there are no instruments to measure psychological wellness or distress in visually impaired students, we studied internal consistency and factor structure of GHQ-12 in visually impaired children. Materials and Methods: Internal consistency analysis (Cronbach′s alpha and item total correlation and exploratory factor analysis (principal component analysis were carried out to identify factor structure of 12-item general health questionnaire (GHQ-12. Results: All items of GHQ-12 were significantly associated with each other and the Cronbach′s alpha coefficient for the scale was 0.7. On analysis of principal component, three-factor solution was found that accounted for 47.92% of the total variance. The factors included, ′general well-being′, ′depression′ and ′cognitive′, with Cronbach′s alpha coefficients being 0.70, 0.59, and 0.34, respectively. Conclusion: Our study findings suggest GHQ-12 is a reliable with adequate internal consistency scale and multidimensional factor structure in visually impaired students.

  4. Determination of Protein Folding Intermediate Structures Consistent with Data from Oxidative Footprinting Mass Spectrometry.

    Science.gov (United States)

    Heinkel, Florian; Gsponer, Jörg

    2016-01-29

    The mapping of folding landscapes remains an important challenge in protein chemistry. Pulsed oxidative labeling of exposed residues and their detection via mass spectrometry provide new means of taking time-resolved "snapshots" of the structural changes that occur during protein folding. However, such experiments have been so far only interpreted qualitatively. Here, we report the detailed structural interpretation of mass spectrometry data from fast photochemical oxidation of proteins (FPOP) experiments at atomic resolution in a biased molecular dynamics approach. We are able to calculate structures of the early folding intermediate of the model system barstar that are fully consistent with FPOP data and Φ values. Furthermore, structures calculated with both FPOP data and Φ values are significantly less compact and have fewer helical residues than intermediate structures calculated with Φ values only. This improves the agreement with the experimental β-Tanford value and CD measurements. The restraints that we introduce facilitate the structural interpretation of FPOP data and provide new means for refined structure calculations of transiently sampled states on protein folding landscapes.

  5. RNA secondary structure modeling at consistent high accuracy using differential SHAPE.

    Science.gov (United States)

    Rice, Greggory M; Leonard, Christopher W; Weeks, Kevin M

    2014-06-01

    RNA secondary structure modeling is a challenging problem, and recent successes have raised the standards for accuracy, consistency, and tractability. Large increases in accuracy have been achieved by including data on reactivity toward chemical probes: Incorporation of 1M7 SHAPE reactivity data into an mfold-class algorithm results in median accuracies for base pair prediction that exceed 90%. However, a few RNA structures are modeled with significantly lower accuracy. Here, we show that incorporating differential reactivities from the NMIA and 1M6 reagents--which detect noncanonical and tertiary interactions--into prediction algorithms results in highly accurate secondary structure models for RNAs that were previously shown to be difficult to model. For these RNAs, 93% of accepted canonical base pairs were recovered in SHAPE-directed models. Discrepancies between accepted and modeled structures were small and appear to reflect genuine structural differences. Three-reagent SHAPE-directed modeling scales concisely to structurally complex RNAs to resolve the in-solution secondary structure analysis problem for many classes of RNA.

  6. Development of Hybrid Product Breakdown Structure for NASA Ground Systems

    Science.gov (United States)

    Monaghan, Mark W.; Henry, Robert J.

    2013-01-01

    The Product Breakdown Structure is traditionally a method of identification of the products of a project in a tree structure. It is a tool used to assess, plan, document, and display the equipment requirements for a project. It is part of a product based planning technique, and attempts to break down all components of a project in as much detail as possible, so that nothing is overlooked. The PBS for ground systems at the Kennedy Space Center is being developed to encompass the traditional requirements including the alignment of facility, systems, and components to the organizational hierarchy. The Ground Operations Product Breakdown Structure is a hybrid in nature in that some aspects of a work breakdown structure will be incorporated and merged with the Architecture Concept of Operations, Master Subsystem List, customer interface, and assigned management responsibility. The Ground Operations Product Breakdown Structure needs to be able to identify the flexibility of support differing customers (internal and external) usage of ground support equipment within the Kennedy Space Center launch and processing complex. The development of the Product Breakdown Structure is an iterative activity Initially documenting the organization hierarchy structure and relationships. The Product Breakdown Structure identifies the linkage between the customer program requirements, allocation of system resources, development of design goals, and identification logistics products. As the Product Breakdown Structure progresses the incorporation of the results of requirement planning for the customer occurs identifying facility needs and systems. The mature Product Breakdown Structure is baselined with a hierarchical drawing, the Product Breakdown Structure database, and an associated document identifying the verification of the data through the life cycle of the program/product line. This paper will document, demonstrate, and identify key aspects of the life cycle of a Hybrid Product

  7. A Novel Degradation Estimation Method for a Hybrid Energy Storage System Consisting of Battery and Double-Layer Capacitor

    Directory of Open Access Journals (Sweden)

    Yuanbin Yu

    2016-01-01

    Full Text Available This paper presents a new method for battery degradation estimation using a power-energy (PE function in a battery/ultracapacitor hybrid energy storage system (HESS, and the integrated optimization which concerns both parameters matching and control for HESS has been done as well. A semiactive topology of HESS with double-layer capacitor (EDLC coupled directly with DC-link is adopted for a hybrid electric city bus (HECB. In the purpose of presenting the quantitative relationship between system parameters and battery serving life, the data during a 37-minute driving cycle has been collected and decomposed into discharging/charging fragments firstly, and then the optimal control strategy which is supposed to maximally use the available EDLC energy is presented to decompose the power between battery and EDLC. Furthermore, based on a battery degradation model, the conversion of power demand by PE function and PE matrix is applied to evaluate the relationship between the available energy stored in HESS and the serving life of battery pack. Therefore, according to the approach which could decouple parameters matching and optimal control of the HESS, the process of battery degradation and its serving life estimation for HESS has been summed up.

  8. Electromagnetic self-consistent field initialization and fluid advance techniques for hybrid-kinetic PWFA code Architect

    Science.gov (United States)

    Massimo, F.; Marocchino, A.; Rossi, A. R.

    2016-09-01

    The realization of Plasma Wakefield Acceleration experiments with high quality of the accelerated bunches requires an increasing number of numerical simulations to perform first-order assessments for the experimental design and online-analysis of the experimental results. Particle in Cell codes are the state-of-the-art tools to study the beam-plasma interaction mechanism, but due to their requirements in terms of number of cores and computational time makes them unsuitable for quick parametric scans. Considerable interest has been shown thus in methods which reduce the computational time needed for the simulation of plasma acceleration. Such methods include the use of hybrid kinetic-fluid models, which treat the relativistic bunches as in a PIC code and the background plasma electrons as a fluid. A technique to properly initialize the bunch electromagnetic fields in the time explicit hybrid kinetic-fluid code Architect is presented, as well the implementation of the Flux Corrected Transport scheme for the fluid equations integrated in the code.

  9. Improving Heat Transfer at the Bottom of Vials for Consistent Freeze Drying with Unidirectional Structured Ice.

    Science.gov (United States)

    Rosa, Mónica; Tiago, João M; Singh, Satish K; Geraldes, Vítor; Rodrigues, Miguel A

    2016-10-01

    The quality of lyophilized products is dependent of the ice structure formed during the freezing step. Herein, we evaluate the importance of the air gap at the bottom of lyophilization vials for consistent nucleation, ice structure, and cake appearance. The bottom of lyophilization vials was modified by attaching a rectified aluminum disc with an adhesive material. Freezing was studied for normal and converted vials, with different volumes of solution, varying initial solution temperature (from 5°C to 20°C) and shelf temperature (from -20°C to -40°C). The impact of the air gap on the overall heat transfer was interpreted with the assistance of a computational fluid dynamics model. Converted vials caused nucleation at the bottom and decreased the nucleation time up to one order of magnitude. The formation of ice crystals unidirectionally structured from bottom to top lead to a honeycomb-structured cake after lyophilization of a solution with 4% mannitol. The primary drying time was reduced by approximately 35%. Converted vials that were frozen radially instead of bottom-up showed similar improvements compared with normal vials but very poor cake quality. Overall, the curvature of the bottom of glass vials presents a considerable threat to consistency by delaying nucleation and causing radial ice growth. Rectifying the vials bottom with an adhesive material revealed to be a relatively simple alternative to overcome this inconsistency.

  10. Boron carbide: Consistency of components, lattice parameters, fine structure and chemical composition makes the complex structure reasonable

    Science.gov (United States)

    Werheit, Helmut

    2016-10-01

    The complex, highly distorted structure of boron carbide is composed of B12 and B11C icosahedra and CBC, CBB and B□B linear elements, whose concentration depends on the chemical composition each. These concentrations are shown to be consistent with lattice parameters, fine structure data and chemical composition. The respective impacts on lattice parameters are estimated and discussed. Considering the contributions of the different structural components to the energy of the overall structure makes the structure and its variation within the homogeneity range reasonable; in particular that of B4.3C representing the carbon-rich limit of the homogeneity range. Replacing in B4.3C virtually the B□B components by CBC yields the hypothetical moderately distorted B4.0C (structure formula (B11C)CBC). The reduction of lattice parameters related is compatible with recently reported uncommonly prepared single crystals, whose compositions deviate from B4.3C.

  11. Assessing motivation for work environment improvements: internal consistency, reliability and factorial structure.

    Science.gov (United States)

    Hedlund, Ann; Ateg, Mattias; Andersson, Ing-Marie; Rosén, Gunnar

    2010-04-01

    Workers' motivation to actively take part in improvements to the work environment is assumed to be important for the efficiency of investments for that purpose. That gives rise to the need for a tool to measure this motivation. A questionnaire to measure motivation for improvements to the work environment has been designed. Internal consistency and test-retest reliability of the domains of the questionnaire have been measured, and the factorial structure has been explored, from the answers of 113 employees. The internal consistency is high (0.94), as well as the correlation for the total score (0.84). Three factors are identified accounting for 61.6% of the total variance. The questionnaire can be a useful tool in improving intervention methods. The expectation is that the tool can be useful, particularly with the aim of improving efficiency of companies' investments for work environment improvements. Copyright 2010 Elsevier Ltd. All rights reserved.

  12. Globular structures of a helix-coil copolymer: Self-consistent treatment

    Science.gov (United States)

    Nowak, C.; Rostiashvili, V. G.; Vilgis, T. A.

    2007-01-01

    A self-consistent-field theory was developed in the grand canonical ensemble formulation to study transitions in a helix-coil multiblock globule. Helical and coil parts are treated as stiff rods and self-avoiding walks of variable lengths correspondingly. The resulting field theory takes, in addition to the conventional Zimm-Bragg, [J. Chem. Phys. 31, 526 (1959)] parameters, also three-dimensional interaction terms into account. The appropriate differential equations which determine the self-consistent fields were solved numerically with finite element method. Three different phase states are found: open chain, amorphous globule, and nematic liquid-crystalline (LC) globule. The LC-globule formation is driven by the interplay between the hydrophobic helical segment attraction and the anisotropic globule surface energy of an entropic nature. The full phase diagram of the helix-coil copolymer was calculated and thoroughly discussed. The suggested theory shows a clear interplay between secondary and tertiary structures in globular homopolypeptides.

  13. Facet Theory and the Mapping Sentence as Hermeneutically Consistent Structured Meta-Ontology and Structured Meta-Mereology

    Directory of Open Access Journals (Sweden)

    Paul M W Hackett

    2016-03-01

    Full Text Available When behaviour is interpreted in a reliable manner (i.e., robustly across different situations and times its explained meaning may be seen to possess hermeneutic consistency. In this essay I present an evaluation of the hermeneutic consistency that I propose may be present when the research tool know as the mapping sentence is used to create generic structural ontologies. I also claim that theoretical and empirical validity is a likely result of employing the mapping sentence in research design and interpretation. These claims are non-contentious within the realm of quantitative psychological and behavioural research. However, I extend the scope of both facet theory based research and claims for its structural utility, reliability and validity to philosophical and qualitative investigations. I assert that the hermeneutic consistency of a structural ontology is a product of a structural representation’s ontological components and the mereological relationships between these ontological sub-units: the mapping sentence seminally allows for the depiction of such structure.

  14. Hybrid open public space of landscape elements and built structure

    Directory of Open Access Journals (Sweden)

    Gordana Bence

    2008-01-01

    Full Text Available The trend today in the cities in Europe and elsewhere is in combining landscape elements, built structure and different uses into a complex urban structure. Physical and program interweaving of landscape elements and built structure enables the consumers daily practice of leisure programs – relaxation, recreation and experiencing other cultural, educational and social events in the public green space. On the basis of determinate social changes and new approaches in urban planning practice, analyses of architectural and urban case studies from the point of view of integrating the landscape elements into the urban structure, the article defines the phenomenon of hybrid open public space and proposes methodical guidelines for the planning.

  15. Beyond Poisson-Boltzmann: fluctuations and fluid structure in a self-consistent theory.

    Science.gov (United States)

    Buyukdagli, S; Blossey, R

    2016-09-01

    Poisson-Boltzmann (PB) theory is the classic approach to soft matter electrostatics and has been applied to numerous physical chemistry and biophysics problems. Its essential limitations are in its neglect of correlation effects and fluid structure. Recently, several theoretical insights have allowed the formulation of approaches that go beyond PB theory in a systematic way. In this topical review, we provide an update on the developments achieved in the self-consistent formulations of correlation-corrected Poisson-Boltzmann theory. We introduce a corresponding system of coupled non-linear equations for both continuum electrostatics with a uniform dielectric constant, and a structured solvent-a dipolar Coulomb fluid-including non-local effects. While the approach is only approximate and also limited to corrections in the so-called weak fluctuation regime, it allows us to include physically relevant effects, as we show for a range of applications of these equations.

  16. Beyond Poisson-Boltzmann: fluctuations and fluid structure in a self-consistent theory

    Science.gov (United States)

    Buyukdagli, S.; Blossey, R.

    2016-09-01

    Poisson-Boltzmann (PB) theory is the classic approach to soft matter electrostatics and has been applied to numerous physical chemistry and biophysics problems. Its essential limitations are in its neglect of correlation effects and fluid structure. Recently, several theoretical insights have allowed the formulation of approaches that go beyond PB theory in a systematic way. In this topical review, we provide an update on the developments achieved in the self-consistent formulations of correlation-corrected Poisson-Boltzmann theory. We introduce a corresponding system of coupled non-linear equations for both continuum electrostatics with a uniform dielectric constant, and a structured solvent—a dipolar Coulomb fluid—including non-local effects. While the approach is only approximate and also limited to corrections in the so-called weak fluctuation regime, it allows us to include physically relevant effects, as we show for a range of applications of these equations.

  17. Self-consistent kinetic simulations of lower hybrid drift instability resulting in electron current driven by fusion products in tokamak plasmas

    CERN Document Server

    Cook, J W S; Dendy, R O

    2010-01-01

    We present particle-in-cell (PIC) simulations of minority energetic protons in deuterium plasmas, which demonstrate a collective instability responsible for emission near the lower hybrid frequency and its harmonics. The simulations capture the lower hybrid drift instability in a regime relevant to tokamak fusion plasmas, and show further that the excited electromagnetic fields collectively and collisionlessly couple free energy from the protons to directed electron motion. This results in an asymmetric tail antiparallel to the magnetic field. We focus on obliquely propagating modes under conditions approximating the outer mid-plane edge in a large tokamak, through which there pass confined centrally born fusion products on banana orbits that have large radial excursions. A fully self-consistent electromagnetic relativistic PIC code representing all vector field quantities and particle velocities in three dimensions as functions of a single spatial dimension is used to model this situation, by evolving the in...

  18. Structural and electronic properties of hybrid silicon-germanium nanosheets

    Directory of Open Access Journals (Sweden)

    F. L. Pérez Sánchez

    2014-12-01

    Full Text Available Using first principles molecular calculations, based on the Density Functional Theory (DFT, structural and electronic properties of hybrid graphene—like silicon—germanium circular nanosheets of hexagonal symmetry are investigated. The exchange—correlation functional of Perdew—Wang (PW in the local spin density approximation (LSDA based on the pseudopotentials of Dolg—Bergnre is applied. The finite extension nanosheets are represented by the CnHm—like cluster model with mono—hydrogenated armchair edges. Changes of the physicochemical properties were analyzed to learn on the chemical composition. We have obtained that the corrugation of the hybrid nanosheets is maintained (with respect to the pristine nanosheets of Ge and Si and is more pronounced when there is a high percentage of germanium. Moreover, hybrid nanosheets have ionic bonds (polarity in the interval from 0.18 to 0.77 D and exhibit a semimetal behavior. Three types of chemical compositions are considered: 1 the one—one relationship, 2 formation of Ge dimers and 3 formation of Ge hexagons. In each case it is observed an increase in the chemical reactivity. Finally, analyzing the work function we conclude that in cases 1 and 2 the chemical compositions improve the efficiency of the field emission and thereby they could expand the scope of nanotechnology applications.

  19. Consistency relations for large scale structures with primordial non-Gaussianities

    CERN Document Server

    Valageas, Patrick; Nishimichi, Takahiro

    2016-01-01

    We investigate how the consistency relations of large-scale structures are modified when the initial density field is not Gaussian. We consider both scenarios where the primordial density field can be written as a nonlinear functional of a Gaussian field and more general scenarios where the probability distribution of the primordial density field can be expanded around the Gaussian distribution, up to all orders over $\\delta_{L0}$. Working at linear order over the non-Gaussianity parameters $f_{\\rm NL}^{(n)}$ or $S_n$, we find that the consistency relations for the matter density fields are modified as they include additional contributions that involve all-order mixed linear-nonlinear correlations $\\langle \\prod \\delta_L \\prod \\delta \\rangle$. We derive the conditions needed to recover the simple Gaussian form of the consistency relations. This corresponds to scenarios that become Gaussian in the squeezed limit. Our results also apply to biased tracers, and velocity or momentum cross-correlations.

  20. Improved hybrid optimization algorithm for 3D protein structure prediction.

    Science.gov (United States)

    Zhou, Changjun; Hou, Caixia; Wei, Xiaopeng; Zhang, Qiang

    2014-07-01

    A new improved hybrid optimization algorithm - PGATS algorithm, which is based on toy off-lattice model, is presented for dealing with three-dimensional protein structure prediction problems. The algorithm combines the particle swarm optimization (PSO), genetic algorithm (GA), and tabu search (TS) algorithms. Otherwise, we also take some different improved strategies. The factor of stochastic disturbance is joined in the particle swarm optimization to improve the search ability; the operations of crossover and mutation that are in the genetic algorithm are changed to a kind of random liner method; at last tabu search algorithm is improved by appending a mutation operator. Through the combination of a variety of strategies and algorithms, the protein structure prediction (PSP) in a 3D off-lattice model is achieved. The PSP problem is an NP-hard problem, but the problem can be attributed to a global optimization problem of multi-extremum and multi-parameters. This is the theoretical principle of the hybrid optimization algorithm that is proposed in this paper. The algorithm combines local search and global search, which overcomes the shortcoming of a single algorithm, giving full play to the advantage of each algorithm. In the current universal standard sequences, Fibonacci sequences and real protein sequences are certified. Experiments show that the proposed new method outperforms single algorithms on the accuracy of calculating the protein sequence energy value, which is proved to be an effective way to predict the structure of proteins.

  1. Genetic Segregation and Genomic Hybridization Patterns Support an Allotetraploid Structure and Disomic Inheritance for Salix Species

    Directory of Open Access Journals (Sweden)

    Gianni Barcaccia

    2014-09-01

    Full Text Available The Salix alba L. (white willow—Salix fragilis L. (crack willow complex includes closely related polyploid species, mainly tetraploid (2n = 4x = 76, which are dioecious and hence obligate allogamous. Because little is known about the genome constitution and chromosome behavior of these pure willow trees, genetic analysis of their naturally occurring interspecific polyploid hybrids is still very difficult. A two-way pseudo-testcross strategy was exploited using single-dose AFLP markers in order to assess the main inheritance patterns of tetraploid biotypes (disomy vs. tetrasomy in segregating populations stemmed from S. alba × S. fragilis crosses and reciprocals. In addition, a genomic in situ hybridization (GISH technology was implemented in willow to shed some light on the genome structure of S. alba and S. fragilis species, and their hybrids (allopolyploidy vs. autopolyploidy. The frequency of S. alba-specific molecular markers was almost double compared to that of S. fragilis-specific ones, suggesting the phylogenetic hypothesis of S. fragilis as derivative species from S. alba-like progenitors. Cytogenetic observations at pro-metaphase revealed about half of the chromosome complements being less contracted than the remaining ones, supporting an allopolyploid origin of both S. alba and S. fragilis. Both genetic segregation and genomic hybridization data are consistent with an allotetraploid nature of the Salix species. In particular, the vast majority of the AFLP markers were inherited according to disomic patterns in S. alba × S. fragilis populations and reciprocals. Moreover, in all S. alba against S. fragilis hybridizations and reciprocals, GISH signals were observed only on the contracted chromosomes whereas the non-contracted chromosomes were never hybridized. In conclusion, half of the chromosomes of the pure species S. alba and S. fragilis are closely related and they could share a common diploid ancestor, while the rest of

  2. Healing Temperature of Hybrid Structures Based on Genetic Algorithm

    Institute of Scientific and Technical Information of China (English)

    赵中伟; 陈志华; 刘红波

    2016-01-01

    The healing temperature of suspen-dome with stacked arches(SDSA)and arch-supported single-layer lattice shell structures was investigated based on the genetic algorithm. The temperature field of arch under solar radiation was derived by FLUENT to investigate the influence of solar radiation on the determination of the healing temperature. Moreover, a multi-scale model was established to apply the complex temperature field under solar radiation. The change in the mechanical response of these two kinds of structures with the healing temperature was discussed. It can be concluded that solar radiation has great influence on the healing temperature, and the genetic algorithm can be effectively used in the optimization of the healing temperature for hybrid structures.

  3. Contributions of each isotope in structural material on radiation damage in a hybrid reactor

    Science.gov (United States)

    Günay, Mehtap

    2016-11-01

    In this study, the fluids were used in the liquid first-wall, blanket and shield zones of the designed hybrid reactor system. In this study, salt-heavy metal mixtures consisting of 93-85% Li20Sn80 + 5% SFG-PuO2 and 2-10% UO2, 93-85% Li20Sn80 + 5% SFG-PuO2 and 2-10% NpO2, and 93-85% Li20Sn80 + 5% SFG-PuO2 and 2-10% UCO were used as fluids. In this study, the effect on the radiation damage of spent fuel-grade (SFG)-PuO2, UO2, NpO2 and UCO contents was investigated in the structural material of a designed fusion-fission hybrid reactor system. In the designed hybrid reactor system were investigated the effect on the radiation damage of the selected fluid according to each isotopes of structural material in the structural material for 30 full power years (FPYs). Three-dimensional analyses were performed using the most recent MCNPX-2.7.0 Monte Carlo radiation transport code and the ENDF/B-VII.0 nuclear data library.

  4. Consistent Data Assimilation of Structural Isotopes: 23Na and 56Fe

    Energy Technology Data Exchange (ETDEWEB)

    Giuseppe Palmiotti

    2010-09-01

    A new approach is proposed, the consistent data assimilation, that allows to link the integral data experiment results to basic nuclear parameters employed by evaluators to generate ENDF/B point energy files in order to improve them. Practical examples are provided for the structural materials 23Na and 56Fe. The sodium neutron propagation experiments, EURACOS and JANUS-8, are used to improve via modifications of 23Na nuclear parameters (like scattering radius, resonance parameters, Optical model parameters, Statistical Hauser-Feshbach model parameters, and Preequilibrium Exciton model parameters) the agreement of calculation versus experiments for a series of measured reaction rate detectors slopes. For the 56Fe case the EURACOS and ZPR3 assembly 54 are used. Results have shown inconsistencies in the set of nuclear parameters used so that further investigation is needed. Future work involves comparison of results against a more traditional multigroup adjustments, and extension to other isotope of interest in the reactor community.

  5. Consistent truncations of M-theory for general SU(2) structures

    CERN Document Server

    Triendl, Hagen

    2015-01-01

    In seven dimensions any spin manifold admits an SU(2) structure and therefore very general M-theory compactifications have the potential to allow for a reduction to N=4 gauged supergravity. We perform this general SU(2) reduction and give the relation of SU(2) torsion classes and fluxes to gaugings in the N=4 theory. We furthermore show explicitly that this reduction is a consistent truncation of the eleven-dimensional theory, in other words classical solutions of the reduced theory also solve the eleven-dimensional equations of motion. This reduction generalizes previous M-theory reductions on Tri-Sasakian manifolds and type IIA reductions on Calabi-Yau manifolds of vanishing Euler number. Moreover, it can also be applied to compactifications on certain G2 holonomy manifolds and to more general flux backgrounds.

  6. Ion acoustic solitary structures in a collisionless unmagnetized plasma consisting of nonthermal electrons and isothermal positrons

    CERN Document Server

    Paul, Ashesh

    2016-01-01

    Employing the Sagdeev pseudo-potential technique the ion acoustic solitary structures have been investigated in an unmagnetized collisionless plasma consisting of adiabatic warm ions, nonthermal electrons and isothermal positrons. The qualitatively different compositional parameter spaces clearly indicate the existence domains of solitons and double layers with respect to any parameter of the present plasma system. The present system supports the negative potential double layer which always restricts the occurrence of negative potential solitons. The system also supports positive potential double layers when the ratio of the average thermal velocity of positrons to that of electrons is less than a critical value. However, there exists a parameter regime for which the positive potential double layer is unable to restrict the occurrence of positive potential solitary waves and in this region of the parameter space, there exist positive potential solitary waves after the formation of a positive potential double ...

  7. Amazon Forests Maintain Consistent Canopy Structure and Greenness During the Dry Season

    Science.gov (United States)

    Morton, Douglas C.; Nagol, Jyoteshwar; Carabajal, Claudia C.; Rosette, Jacqueline; Palace, Michael; Cook, Bruce D.; Vermote, Eric F.; Harding, David J.; North, Peter R. J.

    2014-01-01

    The seasonality of sunlight and rainfall regulates net primary production in tropical forests. Previous studies have suggested that light is more limiting than water for tropical forest productivity, consistent with greening of Amazon forests during the dry season in satellite data.We evaluated four potential mechanisms for the seasonal green-up phenomenon, including increases in leaf area or leaf reflectance, using a sophisticated radiative transfer model and independent satellite observations from lidar and optical sensors. Here we show that the apparent green up of Amazon forests in optical remote sensing data resulted from seasonal changes in near-infrared reflectance, an artefact of variations in sun-sensor geometry. Correcting this bidirectional reflectance effect eliminated seasonal changes in surface reflectance, consistent with independent lidar observations and model simulations with unchanging canopy properties. The stability of Amazon forest structure and reflectance over seasonal timescales challenges the paradigm of light-limited net primary production in Amazon forests and enhanced forest growth during drought conditions. Correcting optical remote sensing data for artefacts of sun-sensor geometry is essential to isolate the response of global vegetation to seasonal and interannual climate variability.

  8. Retinal anatomy of the New Zealand kiwi: structural traits consistent with their nocturnal behavior.

    Science.gov (United States)

    Corfield, Jeremy R; Parsons, Stuart; Harimoto, Yoshitetsu; Acosta, Monica L

    2015-04-01

    Kiwi (Apteryx spp.) have a visual system unlike that of other nocturnal birds, and have specializations to their auditory, olfactory, and tactile systems. Eye size, binocular visual fields and visual brain centers in kiwi are proportionally the smallest yet recorded among birds. Given the many unique features of the kiwi visual system, we examined the laminar organization of the kiwi retina to determine if they evolved increased light sensitivity with a shift to a nocturnal niche or if they retained features of their diurnal ancestor. The laminar organization of the kiwi retina was consistent with an ability to detect low light levels similar to that of other nocturnal species. In particular, the retina appeared to have a high proportion of rod photoreceptors as compared to diurnal species, as evidenced by a thick outer nuclear layer, and also numerous thin photoreceptor segments intercalated among the conical shaped cone photoreceptor inner segments. Therefore, the retinal structure of kiwi was consistent with increased light sensitivity, although other features of the visual system, such as eye size, suggest a reduced reliance on vision. The unique combination of a nocturnal retina and smaller than expected eye size, binocular visual fields, and brain regions make the kiwi visual system unlike that of any bird examined to date. Whether these features of their visual system are an evolutionary design that meets their specific visual needs or are a remnant of a kiwi ancestor that relied more heavily on vision is yet to be determined.

  9. Structural and Morphological Investigation for Water-Processed Graphene Oxide/Single-Walled Carbon Nanotubes Hybrids

    Science.gov (United States)

    Muda, M. R.; Ramli, M. M.; Mat Isa, S. S.; Halin, D. S. C.; Talip, L. F. A.; Mazelan, N. S.; Anhar, N. A. M.; Danial, N. A.

    2017-06-01

    New group of materials derived from hybridization of single walled carbon nanotubes (SWCNTs) and graphene oxide (GO) which resulting novel three dimensional (3D) materials generates an outstanding properties compared to corresponding SWCNTs and GO/Graphene. In this paper, we describe a simple approach using water processing method to develop integrated rGO/GO-SWCNT hybrids with different hybrid ratios. The hybrid ratios were varied into three divided ratio and the results were compared between pristine SWCNTs and GO in order to investigate the structural density and morphology of these carbonaceous materials. With an optimized ratio of rGO/GO-SWCNT, the hybrid shows a well-organized hybrid film structures with less defects density sites. The optimized mixture ratio emphasized the important of both rGO and SWCNTs in the hybrid structures. Morphological structural and defects density degrees were examined by Field Emission Scanning Electron Microscopy (FESEM) and Raman spectroscopy.

  10. Isolation and Characterization of a Hybrid Respiratory Supercomplex Consisting of Mycobacterium tuberculosis Cytochrome bcc and Mycobacterium smegmatis Cytochrome aa 3 *

    OpenAIRE

    Kim, Mi-Sun; Jang, Jichan; AB Rahman, Nurlilah Binte; Pethe, Kevin; Berry, Edward A.; Huang, Li-Shar

    2015-01-01

    Recently, energy production pathways have been shown to be viable antitubercular drug targets to combat multidrug-resistant tuberculosis and eliminate pathogen in the dormant state. One family of drugs currently under development, the imidazo[1,2-a]pyridine derivatives, is believed to target the pathogen's homolog of the mitochondrial bc 1 complex. This complex, denoted cytochrome bcc, is highly divergent from mitochondrial Complex III both in subunit structure and inhibitor sensitivity, maki...

  11. Structural Organization of Enzymes of the Phenylacetate Catabolic Hybrid Pathway

    Directory of Open Access Journals (Sweden)

    Andrey M. Grishin

    2015-06-01

    Full Text Available Aromatic compounds are the second most abundant class of molecules on the earth and frequent environmental pollutants. They are difficult to metabolize due to an inert chemical structure, and of all living organisms, only microbes have evolved biochemical pathways that can open an aromatic ring and catabolize thus formed organic molecules. In bacterial genomes, the phenylacetate (PA utilization pathway is abundant and represents the central route for degradation of a variety of organic compounds, whose degradation reactions converge at this pathway. The PA pathway is a hybrid pathway and combines the dual features of aerobic metabolism, i.e., usage of both oxygen to open the aromatic ring and of anaerobic metabolism—coenzyme A derivatization of PA. This allows the degradation process to be adapted to fluctuating oxygen conditions. In this review we focus on the structural and functional aspects of enzymes and their complexes involved in the PA degradation by the catabolic hybrid pathway. We discuss the ability of the central PaaABCE monooxygenase to reversibly oxygenate PA, the controlling mechanisms of epoxide concentration by the pathway enzymes, and the similarity of the PA utilization pathway to the benzoate utilization Box pathway and β-oxidation of fatty acids.

  12. Structural Organization of Enzymes of the Phenylacetate Catabolic Hybrid Pathway.

    Science.gov (United States)

    Grishin, Andrey M; Cygler, Miroslaw

    2015-06-12

    Aromatic compounds are the second most abundant class of molecules on the earth and frequent environmental pollutants. They are difficult to metabolize due to an inert chemical structure, and of all living organisms, only microbes have evolved biochemical pathways that can open an aromatic ring and catabolize thus formed organic molecules. In bacterial genomes, the phenylacetate (PA) utilization pathway is abundant and represents the central route for degradation of a variety of organic compounds, whose degradation reactions converge at this pathway. The PA pathway is a hybrid pathway and combines the dual features of aerobic metabolism, i.e., usage of both oxygen to open the aromatic ring and of anaerobic metabolism-coenzyme A derivatization of PA. This allows the degradation process to be adapted to fluctuating oxygen conditions. In this review we focus on the structural and functional aspects of enzymes and their complexes involved in the PA degradation by the catabolic hybrid pathway. We discuss the ability of the central PaaABCE monooxygenase to reversibly oxygenate PA, the controlling mechanisms of epoxide concentration by the pathway enzymes, and the similarity of the PA utilization pathway to the benzoate utilization Box pathway and β-oxidation of fatty acids.

  13. Structural investigation of the O-specific polysaccharides of Morganella morganii consisting of two higher sugars.

    Science.gov (United States)

    Kilcoyne, Michelle; Shashkov, Alexander S; Senchenkova, Sof'ya A; Knirel, Yuriy A; Vinogradov, Evgeny V; Radziejewska-Lebrecht, Joanna; Galimska-Stypa, Regina; Savage, Angela V

    2002-10-01

    The lipopolysaccharide of the bacterium Morganella morganii (strain KF 1676, RK 4222) yielded two polysaccharides, PS1 and PS2, when subjected to mild acid degradation followed by GPC. The polysaccharides were studied by 1H and 13C NMR spectroscopy, including two-dimensional COSY, TOCSY, NOESY, 1H,(13)C HMQC, and HMBC experiments. Each polysaccharide was found to contain a disaccharide repeating unit consisting of two higher sugars, 5-acetamidino-7-acetamido-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonic acid (a derivative of 8-epilegionaminic acid, 8eLeg5Am7Ac) and 2-acetamido-4-C-(3'-carboxamide-2',2'-dihydroxypropyl)-2,6-dideoxy-D-galactose (shewanellose, She). The two polysaccharides differ only in the ring size of shewanellose and have the following structures:Shewanellose has been previously identified in a phenol-soluble polysaccharide from Shewanella putrefaciens A6, which shows a close structural similarity to PS2.

  14. Thermocline Storage Filled with Structured Ceramics. Numerical Consistency of the Developed Numerical Model and First Observations

    Science.gov (United States)

    Motte, Fabrice; Bugler-Lamb, Samuel L.; Falcoz, Quentin

    2015-07-01

    The attraction of solar energy is greatly enhanced by the possibility of it being used during times of reduced or non-existent solar flux, such as weather induced intermittences or the darkness of the night. Therefore optimizing thermal storage for use in solar energy plants is crucial for the success of this sustainable energy source. Here we present a study of a structured bed filler dedicated to Thermocline type thermal storage, believed to outweigh the financial and thermal benefits of other systems currently in use such as packed bed Thermocline tanks. Several criterions such as Thermocline thickness and Thermocline centering are defined with the purpose of facilitating the assessment of the efficiency of the tank to complement the standard concepts of power output. A numerical model is developed that reduces to two dimensions the modeling of such a tank. The structure within the tank is designed to be built using simple bricks harboring rectangular channels through which the solar heat transfer and storage fluid will flow. The model is scrutinized and tested for physical robustness, and the results are presented in this paper. The consistency of the model is achieved within particular ranges for each physical variable.

  15. Structure of Solvent-Free Nanoparticle−Organic Hybrid Materials

    KAUST Repository

    Yu, Hsiu-Yu

    2010-11-16

    We derive the radial distribution function and the static structure factor for the particles in model nanoparticleorganic hybrid materials composed of nanoparticles and attached oligomeric chains in the absence of an intervening solvent. The assumption that the oligomers form an incompressible fluid of bead-chains attached to the particles that is at equilibrium for a given particle configuration allows us to apply a density functional theory for determining the equilibrium configuration of oligomers as well as the distribution function of the particles. A quasi-analytic solution is facilitated by a regular perturbation analysis valid when the oligomer radius of gyration R g is much greater than the particle radius a. The results show that the constraint that each particle carries its own share of the fluid attached to itself yields a static structure factor that approaches zero as the wavenumber approaches zero. This result indicates that each particle excludes exactly one other particle from its neighborhood. © 2010 American Chemical Society.

  16. Preparation of Ionic Silsesquioxanes with Regular Structures and Their Hybridization

    Directory of Open Access Journals (Sweden)

    Yoshiro Kaneko

    2012-01-01

    Full Text Available This paper deals with our recent studies on the preparation of ionic silsesquioxanes (SQs with regular structures. Cationic ladder-like polySQs (PSQs with hexagonally stacked structures were successfully prepared by the sol-gel reactions of amino group-containing organotrialkoxysilanes in strong acid aqueous solutions. Self-organization of an ion pair (a salt prepared from the amino group in the organotrialkoxysilane and an acid is the key factor for the formation of such regular structures of the PSQs. It is also reported that the control of the conformational structure of the PSQs was performed by the introduction of the chiral moieties. In addition, we investigated the correlation between the of acid-catalysts and the structures of SQs prepared by the hydrolytic condensation of amino group-containing organotrialkoxysilane, that is, the use of the superacid aqueous solution resulted in the formation of cage-like octaSQ, while the ladder-like PSQs with hexagonally stacked structures were formed from the strong acid aqueous solutions under the same reaction conditions. Furthermore, anion-exchange behaviors of the cationic ladder-like PSQ were investigated with various organic and inorganic compounds, such as anionic surfactants, a polymer, and layered clay minerals, to obtain the functional hybrid materials.

  17. Static and Dynamic Analyses of Long-Span Spatial Steel-Cable-Membrane Hybrid Structures

    Institute of Scientific and Technical Information of China (English)

    丁阳; 彭翼; 李忠献

    2003-01-01

    With the increment of the complexity of structural systems and the span of spatial structures, the interactions between parts of the structures, especially between some flexible substructures, become too complex to be analyzed clearly. In this paper, taking an actual gymnasium of a long-span spatial steel-cable-membrane hybrid structure as the calculation model, the static and dynamic analyses of the hybrid structures are performed by employing the global analysis of the whole hybrid structure and the substructural analysis of the truss arch substructure, the cable-membrane substructure, etc. In addition, the comparison of stresses and displacements of structural members in the global and substructural analyses is made. The numerical results show that serious errors exist in the substructural analysis of the hybrid structure, and the global analysis is necessary for the hybrid structure under the excitation of static loads and seismic loads.

  18. Charge Neutral Fermionic States and Current Oscillation in a Graphene-Superconductor Hybrid Structure

    Science.gov (United States)

    Duan, Wenye; Wang, Wei; Zhang, Chao; Jin, Kuijuan; Ma, Zhongshui

    2016-10-01

    The proximity properties of edge currents in the vicinity of the interface between the graphene and superconductor in the presence of magnetic field are investigated. It is shown that the edge states introduced by Andreev reflection at the graphene-superconductor (G/S) interface give rise to the charge neutral states in all Landau levels. We note that in a topological insulator-superconductor (TI/S) hybrid structure, only N = 0 Landau level can support this type of charge neutral states. The different interface states of a G/S hybrid and a TI/S hybrid is due to that graphene consists of two distinct sublattices. The armchair edge consists of two inequivalent atoms. This gives rise to unique electronic properties of edge states when connected to a superconductor. A direct consequence of zero charge states in all Landau levels is that the current density approaches zero at interface. The proximity effect leads to quantum magnetic oscillation of the current density in the superconductor region. The interface current density can also be tuned with a finite interface potential. For sharp δ-type interface potential, the derivative of the wavefunction is discontinuous. As a result, we found that there is current density discontinuity at the interface. The step of the current discontinuity is proportional to the strength of the interface potential.

  19. Active vibration control of hybrid smart structures featuring piezoelectric films and electrorheological fluids

    Science.gov (United States)

    Choi, Seung-Bok; Park, Yong-Kun; Cheong, ChaeCheon

    1996-05-01

    This paper presents a proof-of-concept investigation on an active vibration control of a hybrid smart structure (HSS) consisting of a piezoelectric film actuator (PFA) and an electro- rheological fluid actuator (ERFA). Firstly, an HSS beam is constructed by inserting a starch- based electro-rheological fluid into a hollow composite beam and perfectly bonding two piezoelectric films on the upper and lower surfaces of the structure as an actuator and as a sensor, respectively. As for the PFA, a neuro-sliding mode controller (NSC) incorporating neural networks with the concept of sliding mode control is formulated. On the other hand, the control scheme for the ERFA is developed as a function of excitation frequencies on the basis of field-dependent frequency responses. An experimental implementation for the PFA and ERFA is then established to perform an active vibration control of the HSS in the transient and forced vibrations. Both the increment of damping ratios and the suppression of tip deflections are evaluated in order to demonstrate control effectiveness of the PFA, the ERFA, and the hybrid actuation. The experimental results exhibit a superior ability of the hybrid actuation system to tailor elastodynamic responses of the HSS rather than a single class of actuation system alone.

  20. Cosmology and astrophysics from relaxed galaxy clusters – V. Consistency with cold dark matter structure formation

    Energy Technology Data Exchange (ETDEWEB)

    Mantz, A.B.; /KIPAC, Menlo Park /Stanford U., Phys. Dept.; Allen, S.W.; /KIPAC, Menlo Park /Stanford U., Phys. Dept. /SLAC; Morris, R.Glenn; /KIPAC, Menlo Park /SLAC

    2016-07-15

    This is the fifth in a series of papers studying the astrophysics and cosmology of massive, dynamically relaxed galaxy clusters. Our sample comprises 40 clusters identified as being dynamically relaxed and hot in Papers I and II of this series. Here we use constraints on cluster mass profiles from X-ray data to test some of the basic predictions of cosmological structure formation in the cold dark matter (CDM) paradigm. We present constraints on the concentration–mass relation for massive clusters, finding a power-law mass dependence with a slope of κm = -0.16 ± 0.07, in agreement with CDM predictions. For this relaxed sample, the relation is consistent with a constant as a function of redshift (power-law slope with 1 + z of κζ = -0.17 ± 0.26), with an intrinsic scatter of σln c = 0.16 ± 0.03. We investigate the shape of cluster mass profiles over the radial range probed by the data (typically ~50 kpc–1 Mpc), and test for departures from the simple Navarro–Frenk–White (NFW) form, for which the logarithmic slope of the density profile tends to -1 at small radii. Specifically, we consider as alternatives the generalized NFW (GNFW) and Einasto parametrizations. For the GNFW model, we find an average value of (minus) the logarithmic inner slope of β = 1.02 ± 0.08, with an intrinsic scatter of σβ = 0.22 ± 0.07, while in the Einasto case we constrain the average shape parameter to be α = 0.29 ± 0.04 with an intrinsic scatter of σα = 0.12 ± 0.04. Our results are thus consistent with the simple NFW model on average, but we clearly detect the presence of intrinsic, cluster-to-cluster scatter about the average.

  1. Cosmology and astrophysics from relaxed galaxy clusters - V. Consistency with cold dark matter structure formation

    Science.gov (United States)

    Mantz, A. B.; Allen, S. W.; Morris, R. G.

    2016-10-01

    This is the fifth in a series of papers studying the astrophysics and cosmology of massive, dynamically relaxed galaxy clusters. Our sample comprises 40 clusters identified as being dynamically relaxed and hot in Papers I and II of this series. Here we use constraints on cluster mass profiles from X-ray data to test some of the basic predictions of cosmological structure formation in the cold dark matter (CDM) paradigm. We present constraints on the concentration-mass relation for massive clusters, finding a power-law mass dependence with a slope of κm = -0.16 ± 0.07, in agreement with CDM predictions. For this relaxed sample, the relation is consistent with a constant as a function of redshift (power-law slope with 1 + z of κζ = -0.17 ± 0.26), with an intrinsic scatter of σln c = 0.16 ± 0.03. We investigate the shape of cluster mass profiles over the radial range probed by the data (typically ˜50 kpc-1 Mpc), and test for departures from the simple Navarro-Frenk-White (NFW) form, for which the logarithmic slope of the density profile tends to -1 at small radii. Specifically, we consider as alternatives the generalized NFW (GNFW) and Einasto parametrizations. For the GNFW model, we find an average value of (minus) the logarithmic inner slope of β = 1.02 ± 0.08, with an intrinsic scatter of σβ = 0.22 ± 0.07, while in the Einasto case we constrain the average shape parameter to be α = 0.29 ± 0.04 with an intrinsic scatter of σα = 0.12 ± 0.04. Our results are thus consistent with the simple NFW model on average, but we clearly detect the presence of intrinsic, cluster-to-cluster scatter about the average.

  2. Hybrid density functional theory band structure engineering in hematite.

    Science.gov (United States)

    Pozun, Zachary D; Henkelman, Graeme

    2011-06-14

    We present a hybrid density functional theory (DFT) study of doping effects in α-Fe(2)O(3), hematite. Standard DFT underestimates the band gap by roughly 75% and incorrectly identifies hematite as a Mott-Hubbard insulator. Hybrid DFT accurately predicts the proper structural, magnetic, and electronic properties of hematite and, unlike the DFT+U method, does not contain d-electron specific empirical parameters. We find that using a screened functional that smoothly transitions from 12% exact exchange at short ranges to standard DFT at long range accurately reproduces the experimental band gap and other material properties. We then show that the antiferromagnetic symmetry in the pure α-Fe(2)O(3) crystal is broken by all dopants and that the ligand field theory correctly predicts local magnetic moments on the dopants. We characterize the resulting band gaps for hematite doped by transition metals and the p-block post-transition metals. The specific case of Pd doping is investigated in order to correlate calculated doping energies and optical properties with experimentally observed photocatalytic behavior.

  3. Assortative mating and the maintenance of population structure in a natural hybrid zone.

    Science.gov (United States)

    Culumber, Zachary W; Ochoa, Olivia M; Rosenthal, Gil G

    2014-08-01

    Understanding the factors that give rise to natural hybrid zones and govern their dynamics and structure is important to predicting the evolutionary consequences of hybridization. Here we use a combination of multigenerational population genetic data, mating patterns from a natural population, behavioral assays, and mark-recapture data within clinal hybrid zones of the genus Xiphophorus to test the role of assortative mating in maintaining population structure and the potential for ongoing genetic exchange between heterospecifics. Our data demonstrate that population structure is temporally robust and driven largely by assortative mating stemming from precopulatory isolation between pure species. Furthermore, mark-recapture data revealed that rates of migration within the same stream reach are far below the level needed to support population structure. In contrast to many empirical studies of natural hybrid zones, there appeared to be no hybrid male dysfunction or discrimination against hybrid males by pure parental females, and hybrid females mated and associated with pure species and hybrid males at random. Despite strong isolation between pure parentals, hybrids therefore can act as a conduit for genetic exchange between heterospecifics, which has been shown to increase the tempo of evolutionary change. Additionally, our findings highlight the complexity of natural hybrid zone dynamics, demonstrating that sexual and ecological selection together can give rise to patterns that do not fit classical models of hybrid zone evolution.

  4. Cosmology and Astrophysics from Relaxed Galaxy Clusters V: Consistency with Cold Dark Matter Structure Formation

    CERN Document Server

    Mantz, Adam B; Morris, R Glenn

    2016-01-01

    This is the fifth in a series of papers studying the astrophysics and cosmology of massive, dynamically relaxed galaxy clusters. Our sample comprises 40 clusters identified as being dynamically relaxed and hot in Papers I and II of this series. Here we use constraints on cluster mass profiles from X-ray data to test some of the basic predictions of cosmological structure formation in the Cold Dark Matter (CDM) paradigm. We present constraints on the concentration--mass relation for massive clusters, finding a power-law mass dependence with a slope of $\\kappa_m=-0.16\\pm0.07$, in agreement with CDM predictions. For this relaxed sample, the relation is consistent with a constant as a function of redshift (power-law slope with $1+z$ of $\\kappa_\\zeta=-0.17\\pm0.26$), with an intrinsic scatter of $\\sigma_{\\ln c}=0.16\\pm0.03$. We investigate the shape of cluster mass profiles over the radial range probed by the data (typically $\\sim50$kpc--1Mpc), and test for departures from the simple Navarro, Frenk & White (NFW...

  5. On Dowell's simplification for acoustic cavity-structure interaction and consistent alternatives.

    Science.gov (United States)

    Ginsberg, Jerry H

    2010-01-01

    A widely employed description of the acoustical response in a cavity whose walls are compliant, which was first proposed by Dowell and Voss [(1962). AIAA J. 1, 476-477], uses the modes of the corresponding cavity with rigid walls as basis functions for a series representation of the pressure. It yields a velocity field that is not compatible with the movement of the boundary, and the system equations do not satisfy the principle of reciprocity. The simplified formulation is compared to consistent solutions of the coupled field equations in the time and frequency domains. In addition, this paper introduces an extension of the Ritz series method to fluid-structure coupled systems that satisfies all continuity conditions by imposing constraint equations to enforce any such conditions that are not identically satisfied by the series. A slender waveguide terminated by an oscillator is analyzed by each method. The simplified formulation is found to be very accurate for light fluid loading, except for the pressure field at frequencies below the fundamental rigid-cavity resonance, whereas the Ritz series solution is found to be extremely accurate in all cases.

  6. The Czech audit: internal consistency, latent structure and identification of risky alcohol consumption.

    Science.gov (United States)

    Sovinová, Hana; Csémy, Ladislav

    2010-09-01

    The primary aim of the study is to examine the psychometric properties and the structure of the Czech version of the Alcohol Use Disorders Identification Test (AUDIT), and to estimate the rate of risky, harmful and problematic alcohol consumers. Two large data sets were analyzed. The first was based on the application of the AUDIT as a part of a general population survey (N = 1.326; age range 18-64), the second represents data gathered by general practitioners (GPs) in the context of a pilot screening and brief advice (SBA) project in the area of Greater Prague (N = 2.589). Analyses of reliability showed satisfying internal consistency of the AUDIT (Cronbach's alpha = 0.83 for population survey and 0.77 for survey based on SBA). Principal component analyses suggest two factor solutions where one factor represents drinking patterns and the second alcohol-related problems or symptoms of dependence. The principal component analyses of both data sets led to similar factor formation. A total of 19% of the general population sample was classified as risky or harmful drinkers and 2% as problem drinkers. These figures were slightly lower in the sample of patients of general practitioners. The Czech version of the AUDIT seems to be a plausible screening instrument. The properties of the instrument suggest usefulness of the summary score for identification of the level of risk.

  7. Plant hybrid zones affect biodiversity: Tools for a genetic-based understanding of community structure

    Energy Technology Data Exchange (ETDEWEB)

    Whitham, T.G.; Martinsen, G.D.; Keim, P. [Northern Arizona Univ., Flagstaff, AZ (United States); Floate, K.D. [Agriculture and Agri-Food Canada, Lethbridge, Alberta (Canada); Dungey, H.S. [Univ. of Tasmania, Hobart, Tasmania (Australia)]|[Queensland Forest Research Inst., Gympie, Queensland (Australia); Potts, B.M. [Univ. of Tasmania, Hobart, Tasmania (Australia)

    1999-03-01

    Plant hybrid zones are dynamic centers of ecological and evolutionary processes for plants and their associated communities. Studies in the wild and in gardens with synthetic crosses showed that hybrid eucalypts supports the greatest species richness and abundances of insect and fungal taxa. In an updated review of 152 case studies of taxa associated with diverse hybridizing systems, there were 43 (28%) cases of hybrids being more susceptible than their parent species, 7 (5%) resistant, 35 (23%) additive, 35 (23%) dominant, and 32 (21%) showed no response to hybridization. Thus, most taxa respond to hybrids in ways that result in equal or greater abundance, and hybrids tend to accumulate the taxa of their parent species. These studies suggest that genetic-based plant traits affect the distribution of many species and that the variation in hybrids can be used as tools to examine the genetic components of community structure and biodiversity.

  8. Structural Acoustic Response of Shape Memory Alloy Hybrid Composite Panels

    Science.gov (United States)

    Turner, Travis L.

    1996-01-01

    A method has been developed to predict the structural acoustic response of shape memory alloy hybrid composite panels subjected to acoustic excitation. The panel is modeled by a finite element analysis and the radiated field is predicted using Rayleigh's integral. Transmission loss predictions for the case of an aluminum panel excited by a harmonic acoustic pressure are shown to compare very well with a classical analysis. Predictions of the normal velocity response and transmitted acoustic pressure for a clamped aluminum panel show excellent agreement with experimental measurements. Predicted transmission loss performance for a composite panel with and without shape memory alloy reinforcement are also presented. The preliminary results demonstrate that the transmission loss can be significantly increased with shape memory alloy reinforcement.

  9. Mechanical properties and production quality of hand-layup and vacuum infusion processed hybrid composite materials for GFRP marine structures

    Directory of Open Access Journals (Sweden)

    Sang-Young Kim

    2014-09-01

    Full Text Available Glass Fiber Reinforced Plastic (GFRP structures are primarily manufactured using hand lay-up or vacuum infusion techniques, which are cost-effective for the construction of marine vessels. This paper aims to investigate the mechanical properties and failure mechanisms of the hybrid GFRP composites, formed by applying the hand lay-up processed exterior and the vacuum infusion processed interior layups, providing benefits for structural performance and ease of manufacturing. The hybrid GFRP composites contain one, two, and three vacuum infusion processed layer sets with consistent sets of hand lay-up processed layers. Mechanical properties assessed in this study include tensile, compressive and in-plane shear properties. Hybrid composites with three sets of vacuum infusion layers showed the highest tensile mechanical properties while those with two sets had the highest mechanical properties in compression. The batch homogeneity, for the GFRP fabrication processes, is evaluated using the experimentally obtained mechanical properties.

  10. Hybrid nano-structure for enhanced energy storage devices

    Science.gov (United States)

    Shuvo, Mohammad Arif Ishtiaque

    The goal of this research is to develop electrode materials using various nano-structure hybrids for improved energy storage devices. Enhancing the performance of energy storage device has been gaining tremendous attention since it holds the key solution to advance renewable energy usage thus reduce the consumption of fossil fuels. The application of energy storage devices such as super-capacitor and Li-ion-battery has seen significant growth; however, it is still limited mainly by charge/discharge rate and energy density. One of the solutions is to use nano-structure materials, which offer higher power at high energy density and improved stability during the charge discharge cycling of ions in and out of the storage electrode material. In this research, carbon-based materials (e.g. porous carbon, graphene) in conjunction with metal oxides such as CeO2 nanoparticles/TiO2 nanowires are synthesized utilizing low temperature hydrothermal method for the fabrication of advanced electrode materials. Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), X-ray Diffraction (XRD), Thermogravimetric Analysis (TGA), X-ray Photoelectron Spectroscopy (XPS), and Fourier Transformation Infrared Spectroscopy (FTIR) were used for materials characterization. Poentio-galvanostat, battery analyzer, and Electrochemical Impedance Spectroscopy (EIS) were used for evaluating the electrochemical performance. The testing results have shown that a maximum 500% higher specific capacitance could be obtained using porous carbon/CeO2 instead of porous carbon for super-capacitor application and microwave exfoliated graphene oxide/TiO2 nanowire hybrid provides up to 80% increment of specific capacity compared to porous carbon anode for Li-ion-battery application.

  11. Hybrid optical-fibre/geopolymer sensors for structural health monitoring of concrete structures

    Science.gov (United States)

    Perry, M.; Saafi, M.; Fusiek, G.; Niewczas, P.

    2015-04-01

    In this work, we demonstrate hybrid optical-fibre/geopolymer sensors for monitoring temperature, uniaxial strain and biaxial strain in concrete structures. The hybrid sensors detect these measurands via changes in geopolymer electrical impedance, and via optical wavelength measurements of embedded fibre Bragg gratings. Electrical and optical measurements were both facilitated by metal-coated optical fibres, which provided the hybrid sensors with a single, shared physical path for both voltage and wavelength signals. The embedded fibre sensors revealed that geopolymer specimens undergo 2.7 mɛ of shrinkage after one week of curing at 42 °C. After curing, an axial 2 mɛ compression of the uniaxial hybrid sensor led to impedance and wavelength shifts of 7 × 10-2 and -2 × 10-4 respectively. The typical strain resolution in the uniaxial sensor was 100 μ \\varepsilon . The biaxial sensor was applied to the side of a concrete cylinder, which was then placed under 0.6 mɛ of axial, compressive strain. Fractional shifts in impedance and wavelength, used to monitor axial and circumferential strain, were 3 × 10-2 and 4 × 10-5 respectively. The biaxial sensor’s strain resolution was approximately 10 μ \\varepsilon in both directions. Due to several design flaws, the uniaxial hybrid sensor was unable to accurately measure ambient temperature changes. The biaxial sensor, however, successfully monitored local temperature changes with 0.5 °C resolution.

  12. Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling

    Energy Technology Data Exchange (ETDEWEB)

    Pera, H.; Kleijn, J. M.; Leermakers, F. A. M., E-mail: Frans.leermakers@wur.nl [Laboratory of Physical Chemistry and Colloid Science, Wageningen University, Dreijenplein 6, 6307 HB Wageningen (Netherlands)

    2014-02-14

    To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k{sub c} and k{sup ¯} and the preferred monolayer curvature J{sub 0}{sup m}, and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of k{sub c} and the area compression modulus k{sub A} are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k{sup ¯} and J{sub 0}{sup m} can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k{sup ¯} and J{sub 0}{sup m} change sign with relevant parameter changes. Although typically k{sup ¯}<0, membranes can form stable cubic phases when the Gaussian bending modulus becomes positive, which occurs with membranes composed of PC lipids with long tails. Similarly, negative monolayer curvatures appear when a small head group such as PE is combined with long lipid tails, which hints towards the stability of inverse hexagonal phases at the cost of the bilayer topology. To prevent the destabilisation of bilayers, PG lipids can be mixed into these PC or PE lipid membranes. Progressive loading of bilayers with PG lipids lead to highly charged membranes, resulting in J{sub 0}{sup m}≫0, especially at low ionic

  13. On the consistency of Monte Carlo track structure DNA damage simulations

    Energy Technology Data Exchange (ETDEWEB)

    Pater, Piotr, E-mail: piotr.pater@mail.mcgill.ca; Seuntjens, Jan; El Naqa, Issam [McGill University, Montreal, Quebec H3G 1A4 (Canada); Bernal, Mario A. [Instituto de Fisica Gleb Wataghin, Universidade Estadual de Campinas, Campinas 13083-859 (Brazil)

    2014-12-15

    Purpose: Monte Carlo track structures (MCTS) simulations have been recognized as useful tools for radiobiological modeling. However, the authors noticed several issues regarding the consistency of reported data. Therefore, in this work, they analyze the impact of various user defined parameters on simulated direct DNA damage yields. In addition, they draw attention to discrepancies in published literature in DNA strand break (SB) yields and selected methodologies. Methods: The MCTS code Geant4-DNA was used to compare radial dose profiles in a nanometer-scale region of interest (ROI) for photon sources of varying sizes and energies. Then, electron tracks of 0.28 keV–220 keV were superimposed on a geometric DNA model composed of 2.7 × 10{sup 6} nucleosomes, and SBs were simulated according to four definitions based on energy deposits or energy transfers in DNA strand targets compared to a threshold energy E{sub TH}. The SB frequencies and complexities in nucleosomes as a function of incident electron energies were obtained. SBs were classified into higher order clusters such as single and double strand breaks (SSBs and DSBs) based on inter-SB distances and on the number of affected strands. Results: Comparisons of different nonuniform dose distributions lacking charged particle equilibrium may lead to erroneous conclusions regarding the effect of energy on relative biological effectiveness. The energy transfer-based SB definitions give similar SB yields as the one based on energy deposit when E{sub TH} ≈ 10.79 eV, but deviate significantly for higher E{sub TH} values. Between 30 and 40 nucleosomes/Gy show at least one SB in the ROI. The number of nucleosomes that present a complex damage pattern of more than 2 SBs and the degree of complexity of the damage in these nucleosomes diminish as the incident electron energy increases. DNA damage classification into SSB and DSB is highly dependent on the definitions of these higher order structures and their

  14. Optoelectronic Properties of Hybrid Titania Nanotubes/Hematite Nanoparticles Structures

    Science.gov (United States)

    Wang, Lili; Panaitescu, Eugen; Menon, Latika

    2015-03-01

    TiO2/Fe2O3 nanostructures are becoming promising alternatives for improving cost effectiveness (in /W) of emerging photovoltaic devices such as dye sensitized or metal-insulator-semiconductor solar cells, combining the low cost, earth abundance and stability of the materials with the enhanced performance offered by the nanoscale architecture. We investigated novel, high quality titania/hematite composites, namely hematite nanoparticle decorated titania nanotube arrays, which were obtained by a simple, inexpensive and easily scalable two-step process, electrochemical anodization of titanium followed by forced hydrolysis. The titania nanotubular scaffold provides a large active surface area, while the iron oxide nanoparticles significantly broaden the light absorption range into the visible region. The morphological and structural characteristics of the samples were analyzed by scanning electron microscopy (SEM), X-ray diffraction (XRD) and transmission electron microscopy (TEM). The light absorption efficiency was measured by diffuse reflectance spectroscopy (DRS), and the optoelectronic behavior of the hybrid structures was analyzed by IV measurements under simulated solar illumination. The influence of the synthesis process and the structure design on the photovoltaic performance is currently investigated for optimal device prototyping.

  15. Blind Evaluation of Hybrid Protein Structure Analysis Methods based on Cross-Linking.

    Science.gov (United States)

    Belsom, Adam; Schneider, Michael; Brock, Oliver; Rappsilber, Juri

    2016-07-01

    Hybrid methods combine experimental data and computational modeling to analyze protein structures that are elusive to structure determination. To spur the development of hybrid methods, we propose to test them in the context of the CASP experiment and would like to invite experimental groups to participate in this initiative.

  16. A self-consistent MoD-WM/MM structural refinement method: characterization of hydrogen bonding in the orytricha nova G-1uar

    Energy Technology Data Exchange (ETDEWEB)

    Batista, Enrique R [Los Alamos National Laboratory; Newcomer, Micharel B [YALE UNIV; Raggin, Christina M [YALE UNIV; Gascon, Jose A [YALE UNIV; Loria, J Patrick [YALE UNIV; Batista, Victor S [YALE UNIV

    2008-01-01

    This paper generalizes the MoD-QM/MM hybrid method, developed for ab initio computations of protein electrostatic potentials [Gasc6n, l.A.; Leung, S.S.F.; Batista, E.R.; Batista, V.S. J. Chem. Theory Comput. 2006,2, 175-186], as a practical algorithm for structural refinement of extended systems. The computational protocol involves a space-domain decomposition scheme for the formal fragmentation of extended systems into smaller, partially overlapping, molecular domains and the iterative self-consistent energy minimization of the constituent domains by relaxation of their geometry and electronic structure. The method accounts for mutual polarization of the molecular domains, modeled as Quantum-Mechanical (QM) layers embedded in the otherwise classical Molecular-Mechanics (MM) environment according to QM/MM hybrid methods. The method is applied to the description of benchmark models systems that allow for direct comparisons with full QM calculations, and subsequently applied to the structural characterization of the DNA Oxytricha nova Guanine quadruplex (G4). The resulting MoD-QM/MM structural model of the DNA G4 is compared to recently reported highresolution X-ray diffraction and NMR models, and partially validated by direct comparisons between {sup 1}H NMR chemical shifts that are highly sensitive to hydrogen-bonding and stacking interactions and the corresponding theoretical values obtained at the density functional theory DFT QM/MM (BH&H/6-31 G*:Amber) level in conjunction with the gauge independent atomic orbital (GIAO) method for the ab initio self consistent-field (SCF) calculation of NMR chemical shifts.

  17. Super-hybrid composites - An emerging structural material

    Science.gov (United States)

    Chamis, C. C.; Lark, R. F.; Sullivan, T. L.

    1975-01-01

    Specimens of super-hybrids and advanced fiber composites were subjected to extensive tests to determine their mechanical properties, including impact and thermal fatigue. The super-hybrids were fabricated by a procedure similar to that reported by Chamis et al., (1975). Super-hybrids subjected to 1000 cycles of thermal fatigue from -100 to 300 F retained over 90% of their longitudinal flexural strength and over 75% of their transverse flexural strength; their transverse flexural strength may be as high as 8 times that of a commercially supplied boron/1100-Al composite. The thin specimen Izod longitudinal impact resistance of the super-hybrids was twice that of the boron/110-Al material. Super-hybrids subjected to transverse tensile loads exhibited nonlinear stress-strain relationships. The experimentally determined initial membrane (in-plane) and bending elastic properties of super-hybrids were predicted adequately by linear laminate analysis.

  18. Analysis of SMA Hybrid Composite Structures using Commercial Codes

    Science.gov (United States)

    Turner, Travis L.; Patel, Hemant D.

    2004-01-01

    A thermomechanical model for shape memory alloy (SMA) actuators and SMA hybrid composite (SMAHC) structures has been recently implemented in the commercial finite element codes MSC.Nastran and ABAQUS. The model may be easily implemented in any code that has the capability for analysis of laminated composite structures with temperature dependent material properties. The model is also relatively easy to use and requires input of only fundamental engineering properties. A brief description of the model is presented, followed by discussion of implementation and usage in the commercial codes. Results are presented from static and dynamic analysis of SMAHC beams of two types; a beam clamped at each end and a cantilevered beam. Nonlinear static (post-buckling) and random response analyses are demonstrated for the first specimen. Static deflection (shape) control is demonstrated for the cantilevered beam. Approaches for modeling SMAHC material systems with embedded SMA in ribbon and small round wire product forms are demonstrated and compared. The results from the commercial codes are compared to those from a research code as validation of the commercial implementations; excellent correlation is achieved in all cases.

  19. Optical properties of hybrid semiconductor-metal structures

    Energy Technology Data Exchange (ETDEWEB)

    Kreilkamp, L.E.; Pohl, M.; Akimov, I.A.; Yakovlev, D.R.; Bayer, M. [Experimentelle Physik 2, Technische Universitaet Dortmund, 44221 Dortmund (Germany); Belotelov, V.I.; Zvezdin, A.K. [A.M. Prokhorov General Physics Institute, Russian Academy of Sciences, 119992 Moscow (Russian Federation); Karczewski, G.; Wojtowicz, T. [Institute of Physics, Polish Academy of Sciences, 02668 Warsaw (Poland); Rudzinski, A.; Kahl, M. [Raith GmbH, Konrad-Adenauer-Allee 8, 44263 Dortmund (Germany)

    2012-07-01

    We study the optical properties of hybrid nanostructures comprising a semiconductor CdTe quantum well (QW) separated by a thin CdMgTe cap layer of 40 nm from a patterned gold film. The CdTe/CdMgTe QW structure with a well width of 10nm was grown by molecular beam epitaxy. The one-dimensional periodic gold films on top were made using e-beam lithography and lift-off process. The investigated structures can be considered as plasmonic crystals because the metal films attached to the semiconductor are patterned with a period in the range from 475 to 600 nm, which is comparable to the surface plasmon-polariton (SPP) wavelength. Angle dependent reflection spectra at room temperature clearly show plasmonic resonances. PL spectra taken at low temperatures of about 10 K under below- and above-barrier illumination show significant modifications compared to the unstructured QW sample. The number of emission lines and their position shift change depending on the excitation energy. The role of exciton-SPP coupling and Schottky barrier at the semiconductor-metal interface are discussed.

  20. Hybrid surface structures for efficiency enhancement of fluorescent SiC for white LED application

    DEFF Research Database (Denmark)

    Ou, Yiyu; Xiong, Meng; Lu, Weifang

    Hybrid structures contain structures in both micro- and nano-meter scale have been fabricated on fluorescent SiC by applying a fast fabrication method. Luminescence efficiency of f-SiC was enhanced significantly compared with normal nanostructures....

  1. A structured modeling approach for dynamic hybrid fuzzy-first principles models

    NARCIS (Netherlands)

    Lith, van Pascal F.; Betlem, Ben H.L.; Roffel, Brian

    2002-01-01

    Hybrid fuzzy-first principles models can be attractive if a complete physical model is difficult to derive. These hybrid models consist of a framework of dynamic mass and energy balances, supplemented with fuzzy submodels describing additional equations, such as mass transformation and transfer rate

  2. Hybrid Visual Servoing Control for Robotic Arc Welding Based on Structured Light Vision

    Institute of Scientific and Technical Information of China (English)

    XUDe; WANGLin-Kun; TUZhi-Guo; TANMin

    2005-01-01

    A novel hybrid visual servoing control method based on structured light vision is proposed for robotic arc welding with a general six degrees of freedom robot. It consists of a position control inner-loop in Cartesian space and two outer-loops. One is position-based visual control inCartesian space for moving in the direction of weld seam, i.e., weld seam tracking, another is imagebased visual control in image space for adjustment to eliminate the errors in the process of tracking.A new Jacobian matrix from image space of the feature point on structured light stripe to Cartesian space is provided for differential movement of the end-effector. The control system model is simplified and its stability is discussed. An experiment of arc welding protected by gas CO2 for verifying is well conducted.

  3. New hybrid lead iodides: From one-dimensional chain to two-dimensional layered perovskite structure

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, Kecai; Liu, Wei [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States); Teat, Simon J. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); An, Litao; Wang, Hao; Emge, Thomas J. [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States); Li, Jing, E-mail: jingli@rutgers.edu [Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854 (United States)

    2015-10-15

    Two new hybrid lead halides (H{sub 2}BDA)[PbI{sub 4}] (1) (H{sub 2}BDA=1,4-butanediammonium dication) and (HNPEIM)[PbI{sub 3}] (2) (HNPEIM=N-​phenyl-ethanimidamidine cation) have been synthesized and structurally characterized. X-ray diffraction analyses reveal that compound 1 features a two-dimensional corner-sharing perovskite layer whereas compound 2 contains one-dimensional edge-sharing double chains. The N-​phenyl-ethanimidamidine cation within compound 2 was generated in-situ under solvothermal conditions. The optical absorption spectra collected at room temperature suggest that both compounds are semiconductors having direct band gaps, with estimated values of 2.64 and 2.73 eV for 1 and 2, respectively. Results from the density functional theory (DFT) calculations are consistent with the experimental data. Density of states (DOS) analysis reveals that in both compounds 1 and 2, the energy states in the valence band maximum region are iodine 5p atomic orbitals with a small contribution from lead 6s, while in the region of conduction band minimum, the major contributions are from the inorganic (Pb 6p atomic orbitals) and organic components (C and N 2p atomic orbitals) in compound 1 and 2, respectively. - Graphical abstract: Two new hybrid lead halides built on one-dimensional edge-sharing double chains and two-dimensional corner-sharing perovskite layers are synthesized and their structural and electronic properties are analyzed. - Highlights: • Two new hybrid lead iodides are designed, synthesized, and characterized. • They are closely related to, but different from, perovskite structures. • The electronic properties of both compounds are analyzed by DFT calculations.

  4. Enhancing prospective chemistry teachers cognitive structures in the topics of bonding and hybridization by internet-assisted chemistry applications

    OpenAIRE

    Özge Özyalçın Oskay, Sinem Dinçol

    2011-01-01

    The purpose of this study is to determine the effects of internet-assisted chemistry applications on prospective chemistry teachers’ cognitive structures in the topics of bonding and hybridization. The sample of the study consisted of 36 prospective chemistry teachers attending Hacettepe University, Faculty of Education, the Department of Chemistry Education in 2010-2011 academic year and taking Basic Chemistry I lesson. In the study, students were separated into experimental and control gr...

  5. The Tower: Modelling, Analysis and Construction of Bending Active Tensile Membrane Hybrid Structures

    DEFF Research Database (Denmark)

    Holden Deleuran, Anders; Schmeck, Michel; Charles Quinn, Gregory

    2015-01-01

    as combining two or more structural concepts and materials together to create a stronger whole. The paper presents the methods used and developed for design, simulation, evaluation and production, as well as the challenges and obstacles to overcome to build a complex hybrid tower structure in an outside......The project is the result of an interdisciplinary research collaboration between CITA, KET and Fibrenamics exploring the design of integrated hybrid structures employing bending active elements and tensile membranes with bespoke material properties and detailing. Hybrid structures are defined here...

  6. A new hybrid coding for protein secondary structure prediction based on primary structure similarity.

    Science.gov (United States)

    Li, Zhong; Wang, Jing; Zhang, Shunpu; Zhang, Qifeng; Wu, Wuming

    2017-03-16

    The coding pattern of protein can greatly affect the prediction accuracy of protein secondary structure. In this paper, a novel hybrid coding method based on the physicochemical properties of amino acids and tendency factors is proposed for the prediction of protein secondary structure. The principal component analysis (PCA) is first applied to the physicochemical properties of amino acids to construct a 3-bit-code, and then the 3 tendency factors of amino acids are calculated to generate another 3-bit-code. Two 3-bit-codes are fused to form a novel hybrid 6-bit-code. Furthermore, we make a geometry-based similarity comparison of the protein primary structure between the reference set and the test set before the secondary structure prediction. We finally use the support vector machine (SVM) to predict those amino acids which are not detected by the primary structure similarity comparison. Experimental results show that our method achieves a satisfactory improvement in accuracy in the prediction of protein secondary structure.

  7. Self-consistent photonic band structure of dielectric superlattices containing nonlinear optical materials.

    Science.gov (United States)

    Lousse, V; Vigneron, J P

    2001-02-01

    The theory of photonic crystals is extended to include the optical Kerr effect taking place in weak third-order, nonlinear materials present in the unit cell. The influence on the dispersion relations of the illumination caused by a single Bloch mode transiting through the crystal structure is examined. Special attention is given to the modification of the photonic gap width and position. Assuming an instantaneous change of refractive index with illumination, the nonlinear band structure problem is solved as a sequence of ordinary, linear band structure calculations, carried out in a plane-wave field representation.

  8. Hybrid Composites for LH2 Fuel Tank Structure

    Science.gov (United States)

    Grimsley, Brian W.; Cano, Roberto J.; Johnston, Norman J.; Loos, Alfred C.; McMahon, William M.

    2001-01-01

    The application of lightweight carbon fiber reinforced plastics (CFRP) as structure for cryogenic fuel tanks is critical to the success of the next generation of Reusable Launch Vehicles (RLV). The recent failure of the X-33 composite fuel tank occurred in part due to microcracking of the polymer matrix, which allowed cryogen to permeate through the inner skin to the honeycomb core. As part of an approach to solve these problems, NASA Langley Research Center (LaRC) and Marshall Space Flight Center (MSFC) are working to develop and investigate polymer films that will act as a barrier to the permeation of LH2 through the composite laminate. In this study two commercially available films and eleven novel LaRC films were tested in an existing cryogenics laboratory at MSFC to determine the permeance of argon at room temperature. Several of these films were introduced as a layer in the composite to form an interleaved, or hybrid, composite to determine the effects on permeability. In addition, the effects of the interleaved layer thickness, number, and location on the mechanical properties of the composite laminate were investigated. In this initial screening process, several of the films were found to exhibit lower permeability to argon than the composite panels tested.

  9. A Hybrid Structure for Data Aggregation in Wireless Sensor Network

    Directory of Open Access Journals (Sweden)

    Hedieh Sajedi

    2014-01-01

    Full Text Available In recent years, wireless sensor networks have been used for various applications such as environmental monitoring, military and medical applications. A wireless sensor network uses a large number of sensor nodes that continuously collect and send data from a specific region to a base station. Data from sensors are collected from the study area in the common scenario of sensor networks. Afterward, sensed data is sent to the base station. However, neighboring sensors often lead to redundancy of data. Transmission of redundant data to the base station consumes energy and produces traffic, because process is run in a large network. Data aggregation was proposed in order to reduce redundancy in data transformation and traffic. The most popular communication protocol in this field is cluster based data aggregation. Clustering causes energy balance, but sometimes energy consumption is not efficient due to the long distance between cluster heads and base station. In another communication protocol, which is based on a tree construction, because of the short distance between the sensors, energy consumption is low. In this data aggregation approach, since each sensor node is considered as one of the vertices of a tree, the depth of tree is usually high. In this paper, an efficient hierarchical hybrid approach for data aggregation is presented. It reduces energy consumption based on clustering and minimum spanning tree. The benefit of combining clustering and tree structure is reducing the disadvantages of previous structures. The proposed method firstly employs clustering algorithm and then a minimum spanning tree is constructed based on cluster heads. Our proposed method was compared to LEACH which is a well-known data aggregation method in terms of energy consumption and the amount of energy remaining in each sensor network lifetime. Simulation results indicate that our proposed method is more efficient than LEACH algorithm considering energy

  10. Structural investigation of the zirconium-titanium based amino trimethylene phosphonate hybrid coating on aluminum alloy

    Institute of Scientific and Technical Information of China (English)

    Shuanghong WANG; Changsheng LIU; Fengjun SHAN

    2009-01-01

    A zirconium-titanium based amino trimethylene phosphonate hybrid coating on AA6061 aluminum alloys was formed by dipping in a fluorotitanate/zirconate acid and amino trimethylene phosphonic acid (ATMP) solution for improving the lacquer adhesion and corrosion resistance as a substitute of chromate coatings. The morphol-ogy and structure of the hybrid coating were studied by means of scanning electror microscopy (SEM) and atomic force microscopy (AFM). The surface compositior and structure characteristics were also investigated by means of X-ray photoelectron spectroscopy (XPS) and Fourier transformation infra-red spectroscopy (FTIR). The results of SEM and AFM show that the hybrid coating present piece particle distrib-ution which is much denser than that of the zirconium-titanium coating. The results of XPS and FTIR indicate that the hybrid coating is a hybrid composite structure composed of both the zirconium-titanium and amino trimethylene phosphonate coat-ings.

  11. Temperature Histories of Structural Steel Laser and Hybrid Laser-GMA Welds Calculated Using Multiple Constraints

    Science.gov (United States)

    2015-12-10

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--15-9665 Temperature Histories of Structural Steel Laser and Hybrid Laser-GMA Welds...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Temperature Histories of Structural Steel Laser and Hybrid Laser-GMA Welds Calculated Using Multiple...202) 767-2601 Inverse thermal analyses of structural steel deep-penetration welds are presented. These analyses employ a methodology that is in terms of

  12. Hybrid graphene/geopolymeric cement as a superionic conductor for structural health monitoring applications

    Science.gov (United States)

    Saafi, M.; Piukovics, G.; Ye, J.

    2016-10-01

    In this paper, we demonstrate for the first time a novel hybrid superionic long gauge sensor for structural health monitoring applications. The sensor consists of two graphene electrodes and a superionic conductor film made entirely of fly ash geopolymeric material. The sensor employs ion hopping as a conduction mechanism for high precision temperature and tensile strain sensing in structures. The design, fabrication and characterization of the sensor are presented. The temperature and strain sensing mechanisms of the sensor are also discussed. The experimental results revealed that the crystal structure of the superionic film is a 3D sodium-poly(sialate-siloxo) framework, with a room temperature ionic conductivity between 1.54 × 10-2 and 1.72 × 10-2 S m-1 and, activation energy of 0.156 eV, which supports the notion that ion hopping is the main conduction mechanism for the sensor. The sensor showed high sensitivity to both temperature and tensile strain. The sensor exhibited temperature sensitivity as high as 21.5 kΩ °C-1 and tensile strain sensitivity (i.e., gauge factor) as high as 358. The proposed sensor is relatively inexpensive and can easily be manufactured with long gauges to measure temperature and bulk strains in structures. With further development and characterization, the sensor can be retrofitted onto existing structures such as bridges, buildings, pipelines and wind turbines to monitor their structural integrity.

  13. Effect of secondary structure on the thermodynamics and kinetics of PNA hybridization to DNA hairpins

    DEFF Research Database (Denmark)

    Kushon, S A; Jordan, J P; Seifert, J L

    2001-01-01

    structures in both target and probe molecules are shown to depress the melting temperatures and free energies of the probe-target duplexes. Kinetic analysis of hybridization yields reaction rates that are up to 160-fold slower than hybridization between two unstructured strands. The thermodynamic and kinetic...

  14. A Best Practice Modular Design of a Hybrid Course Delivery Structure for an Executive Education Program

    Science.gov (United States)

    Klotz, Dorothy E.; Wright, Thomas A.

    2017-01-01

    This article highlights a best practice approach that showcases the highly successful deployment of a hybrid course delivery structure for an Operations core course in an Executive MBA Program. A key design element of the approach was the modular design of both the course itself and the learning materials. While other hybrid deployments may stress…

  15. A Best Practice Modular Design of a Hybrid Course Delivery Structure for an Executive Education Program

    Science.gov (United States)

    Klotz, Dorothy E.; Wright, Thomas A.

    2017-01-01

    This article highlights a best practice approach that showcases the highly successful deployment of a hybrid course delivery structure for an Operations core course in an Executive MBA Program. A key design element of the approach was the modular design of both the course itself and the learning materials. While other hybrid deployments may stress…

  16. Towards consistent modes of e-health implementation : structurational analysis of a telecare programmes limited success

    NARCIS (Netherlands)

    Boonstra, A.; van Offenbeek, M.A.G.

    2010-01-01

    Telecare is the use of information and communication systems to facilitate care delivery to individuals in their homes. Although the expectations of telecare are high, its implementation has proved complex. This case study demonstrates this complexity through a structurational analysis of a telecare

  17. On the consistency of adjoint sensitivity analysis for structural optimization of linear dynamic problems

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Nakshatrala, Praveen B.; Tortorelli, Daniel A.

    2014-01-01

    Gradient-based topology optimization typically involves thousands or millions of design variables. This makes efficient sensitivity analysis essential and for this the adjoint variable method (AVM) is indispensable. For transient problems it has been observed that the traditional AVM, based...... on a differentiate-then-discretize approach, may lead to inconsistent sensitivities. Herein this effect is explicitly demonstrated for a single dof system and the source of inconsistency is identified. Additionally, we outline an alternative discretize-then-differentiate AVM that inherently produces consistent...

  18. Hybrid Structures for Surface-Enhanced Raman Scattering: DNA Origami/Gold Nanoparticle Dimer/Graphene.

    Science.gov (United States)

    Prinz, Julia; Matković, Aleksandar; Pešić, Jelena; Gajić, Radoš; Bald, Ilko

    2016-10-01

    A combination of three innovative materials within one hybrid structure to explore the synergistic interaction of their individual properties is presented. The unique electronic, mechanical, and thermal properties of graphene are combined with the plasmonic properties of gold nanoparticle (AuNP) dimers, which are assembled using DNA origami nanostructures. This novel hybrid structure is characterized by means of correlated atomic force microscopy and surface-enhanced Raman scattering (SERS). It is demonstrated that strong interactions between graphene and AuNPs result in superior SERS performance of the hybrid structure compared to their individual components. This is particularly evident in efficient fluorescence quenching, reduced background, and a decrease of the photobleaching rate up to one order of magnitude. The versatility of DNA origami structures to serve as interface for complex and precise arrangements of nanoparticles and other functional entities provides the basis to further exploit the potential of the here presented DNA origami-AuNP dimer-graphene hybrid structures.

  19. Analytical theory of self-consistent current structures in a collisionless plasma

    Science.gov (United States)

    Kocharovsky, V. V.; Kocharovsky, Vl V.; Martyanov, V. Yu; Tarasov, S. V.

    2017-03-01

    The most-studied classes of exact solutions to Vlasov–Maxwell equations for stationary neutral current structures in a collisionless relativistic plasma, which allow the particle distribution functions (PDFs) to be chosen at will, are reviewed. A general classification is presented of the current sheets and filaments described by the method of invariants of motion of particles whose PDF is symmetric in a certain way in coordinate and momentum spaces. The possibility is discussed of using these explicit solutions to model the observed and/or expected features of current structures in cosmic and laboratory plasmas. Also addressed are how the magnetic field forms and the analytical description of the so-called Weibel instability in a plasma with an arbitrary PDF.

  20. An exact arithmetic toolbox for a consistent and reproducible structural analysis of metabolic network models.

    Science.gov (United States)

    Chindelevitch, Leonid; Trigg, Jason; Regev, Aviv; Berger, Bonnie

    2014-10-07

    Constraint-based models are currently the only methodology that allows the study of metabolism at the whole-genome scale. Flux balance analysis is commonly used to analyse constraint-based models. Curiously, the results of this analysis vary with the software being run, a situation that we show can be remedied by using exact rather than floating-point arithmetic. Here we introduce MONGOOSE, a toolbox for analysing the structure of constraint-based metabolic models in exact arithmetic. We apply MONGOOSE to the analysis of 98 existing metabolic network models and find that the biomass reaction is surprisingly blocked (unable to sustain non-zero flux) in nearly half of them. We propose a principled approach for unblocking these reactions and extend it to the problems of identifying essential and synthetic lethal reactions and minimal media. Our structural insights enable a systematic study of constraint-based metabolic models, yielding a deeper understanding of their possibilities and limitations.

  1. Towards Consistent Mapping of Urban Structures - Global Human Settlement Layer and Local Climate Zones

    Science.gov (United States)

    Bechtel, B.; Pesaresi, M.; See, L.; Mills, G.; Ching, J.; Alexander, P. J.; Feddema, J. J.; Florczyk, A. J.; Stewart, I.

    2016-06-01

    Although more than half of the Earth's population live in urban areas, we know remarkably little about most cities and what we do know is incomplete (lack of coverage) and inconsistent (varying definitions and scale). While there have been considerable advances in the derivation of a global urban mask using satellite information, the complexity of urban structures, the heterogeneity of materials, and the multiplicity of spectral properties have impeded the derivation of universal urban structural types (UST). Further, the variety of UST typologies severely limits the comparability of such studies and although a common and generic description of urban structures is an essential requirement for the universal mapping of urban structures, such a standard scheme is still lacking. More recently, there have been two developments in urban mapping that have the potential for providing a standard approach: the Local Climate Zone (LCZ) scheme (used by the World Urban Database and Access Portal Tools project) and the Global Human Settlement Layer (GHSL) methodology by JRC. In this paper the LCZ scheme and the GHSL LABEL product were compared for selected cities. The comparison between both datasets revealed a good agreement at city and coarse scale, while the contingency at pixel scale was limited due to the mismatch in grid resolution and typology. At a 1 km scale, built-up as well as open and compact classes showed very good agreement in terms of correlation coefficient and mean absolute distance, spatial pattern, and radial distribution as a function of distance from town, which indicates that a decomposition relevant for modelling applications could be derived from both. On the other hand, specific problems were found for both datasets, which are discussed along with their general advantages and disadvantages as a standard for UST classification in urban remote sensing.

  2. On the structural and physicochemical properties of gamma irradiated UHMWPE/silane hybrid

    Energy Technology Data Exchange (ETDEWEB)

    Shafiq, Muhammad [Advanced Polymer Laboratory, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences, 45650 Islamabad (Pakistan); Mehmood, Malik Sajjad [Advanced Polymer Laboratory, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences, 45650 Islamabad (Pakistan); Department of Basic Sciences and Humanities, University of Engineering and Technology, 47050 Taxila (Pakistan); Yasin, Tariq, E-mail: yasintariq@yahoo.com [Advanced Polymer Laboratory, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences, 45650 Islamabad (Pakistan)

    2013-12-16

    This study has been carried to investigate the influence of gamma rays on the structural and physicochemical properties of UHMWPE/silane hybrid. UHMWPE was mixed with vinyltriethoxysilane (VTES) and compression molded sheets were irradiated at different doses of gamma rays. Fourier transform infrared spectroscopy indicated the formation of siloxane linkages in hybrids, which were found to be shifted towards lower wave number upon irradiation. The X-ray diffraction patterns showed significant increase in the percentage crystallinity of hybrid upon gamma irradiation, especially at 65 kGy absorbed dose. Scanning electron micrographs showed good consolidation and compaction with no surface defects. Moreover, the rough topography was changed to smooth ripple-like appearance upon γ-irradiation. Thermal analysis revealed that irradiated hybrids exhibited higher onset thermal degradation temperature, peak melting temperature, and crystalline lamellae thickness compared with the water treated hybrid. In addition, the tensile testing confirmed an increase of 41% and 133% in yield strength and Young's modulus in 100 kGy irradiated hybrid respectively than that of water treated hybrid. We hope that the irradiated UHMWPE/silane hybrids can be used in various high-strength applications such as total joint replacements, pickers for textile machinery, lining for coal chutes and dump trucks. - Highlights: • UHMWPE/silane hybrids have been prepared and irradiated using gamma rays. • The structural analysis revealed the formation siloxane linkages in the hybrid. • The crystallinity, thermal stability and mechanical properties of hybrids were improved with irradiation. • The irradiated hybrids can be used in various high-strength applications.

  3. Towards a self-consistent halo model for the nonlinear large-scale structure

    CERN Document Server

    Schmidt, Fabian

    2015-01-01

    The halo model is a theoretically and empirically well-motivated framework for predicting the statistics of the nonlinear matter distribution in the Universe. However, current incarnations of the halo model suffer from two major deficiencies: $(i)$ they do not enforce the stress-energy conservation of matter; $(ii)$ they are not guaranteed to recover exact perturbation theory results on large scales. Here, we provide a formulation of the halo model ("EHM") that remedies both drawbacks in a consistent way, while attempting to maintain the predictivity of the approach. In the formulation presented here, mass and momentum conservation are guaranteed, and results of perturbation theory and the effective field theory can in principle be matched to any desired order on large scales. We find that a key ingredient in the halo model power spectrum is the halo stochasticity covariance, which has been studied to a much lesser extent than other ingredients such as mass function, bias, and profiles of halos. As written he...

  4. Massive neutrinos in nonlinear large scale structure: A consistent perturbation theory

    CERN Document Server

    Levi, Michele

    2016-01-01

    A consistent formulation to incorporate massive neutrinos in the perturbation theory of the effective CDM+baryons fluid is introduced. In this formulation all linear k dependence in the growth functions of CDM+baryons perturbations, as well as all consequent additional mode coupling at higher orders, are taken into account to any desirable accuracy. Our formulation regards the neutrino fraction, which is constant in time after the non-relativistic transition of neutrinos, and much smaller than unity, as the coupling constant of the theory. Then the "bare" perturbations are those in the massless neutrino case when the neutrino fraction vanishes, and we consider the backreaction corrections due to the gravitational coupling of neutrinos. We derive the general equations for the "bare" perturbations, and backrecation corrections. Then, by employing exact time evolution with the proper analytic Green's function we explicitly derive the leading backreaction effect, and find precise agreement at the linear level. We...

  5. Self-consistent energy balance simulations of hole dynamics in SiGe/Si THz quantum cascade structures

    Science.gov (United States)

    Ikonić, Z.; Harrison, P.; Kelsall, R. W.

    2004-12-01

    Analysis of hole transport in cascaded p-Si /SiGe quantum well structures is performed using self-consistent rate equations simulations. The hole subband structure is calculated using the 6×6k.p model, and then used to find carrier relaxation rates due to the alloy disorder, acoustic, and optical phonon scattering, as well as hole-hole scattering. The simulation accounts for the in-plane k-space anisotropy of both the hole subband structure and the scattering rates. Results are presented for prototype THzSi /SiGe quantum cascade structures.

  6. Towards a Self Consistent Model of the Thermal Structure of the Venus Atmosphere

    Science.gov (United States)

    Limaye, Sanjay; Vandaele, Ann C.; Wilson, Colin

    Nearly three decades ago, an international effort led to the adoption of the Venus International Reference Atmosphere (VIRA) was published in 1985 after the significant data returned by the Pioneer Venus Orbiter and Probes and the earlier Venera missions (Kliore et al., 1985). The vertical thermal structure is one component of the reference model which relied primarily on the three Pioneer Venus Small Probes, the Large Probe profiles as well as several hundred retrieved temperature profiles from the Pioneer Venus Orbiter radio occultation data collected during 1978 - 1982. Since then a huge amount of thermal structure data has been obtained from multiple instruments on ESA’s Venus Express (VEX) orbiter mission. The VEX data come from retrieval of temperature profiles from SPICAV/SOIR stellar/solar occultations, VeRa radio occultations and from the passive remote sensing by the VIRTIS instrument. The results of these three experiments vary in their intrinsic properties - altitude coverage, spatial and temporal sampling and resolution and accuracy An international team has been formed with support from the International Space Studies Institute (Bern, Switzerland) to consider the observations of the Venus atmospheric structure obtained since the data used for the COSPAR Venus International Reference Atmosphere (Kliore et al., 1985). We report on the progress made by the comparison of the newer data with VIRA model and also between different experiments where there is overlap. Kliore, A.J., V.I. Moroz, and G.M. Keating, Eds. 1985, VIRA: Venus International Reference Atmosphere, Advances in Space Research, Volume 5, Number 11, 307 pages.

  7. ICFD modeling of final settlers - developing consistent and effective simulation model structures

    DEFF Research Database (Denmark)

    Plósz, Benedek G.; Guyonvarch, Estelle; Ramin, Elham

    analysis exercises is kept to a minimum (4). Consequently, detailed information related to, for instance, design boundaries, may be ignored, and their effects may only be accounted for through calibration of model parameters used as catchalls, and by arbitrary amendments of structural uncertainty...... of (6). Further details are shown in (5). Results and discussions Factor screening. Factor screening is carried out by imposing statistically designed moderate (under-loaded) and extreme (under-, critical and overloaded) operational boundary conditions on the 2-D CFD SST model (8). Results obtained...

  8. Substrate specificity of papain dynamic structures for peptides consisting of 8-10 GLY residues

    Science.gov (United States)

    Nishiyama, Katsuhiko

    2011-01-01

    We investigated the substrate specificity of papain dynamic structures for peptides of 8-10 glycine residues (8-10GLY) via molecular dynamics and docking simulations. The substrate specificity of papain for 8-10GLY fluctuated considerably with time. There were several residues that were different among those that had a significant impact on binding (RESIDUES_IMPACT) with 10GLY, 9GLY, and 8GLY. Modification of these different residues should allow for control of substrate specificity, providing a framework for modifying substrate specificity in papain and other enzymes.

  9. Hybrid Group IV Nanophotonic Structures Incorporating Diamond Silicon-Vacancy Color Centers.

    Science.gov (United States)

    Zhang, Jingyuan Linda; Ishiwata, Hitoshi; Babinec, Thomas M; Radulaski, Marina; Müller, Kai; Lagoudakis, Konstantinos G; Dory, Constantin; Dahl, Jeremy; Edgington, Robert; Soulière, Veronique; Ferro, Gabriel; Fokin, Andrey A; Schreiner, Peter R; Shen, Zhi-Xun; Melosh, Nicholas A; Vučković, Jelena

    2016-01-13

    We demonstrate a new approach for engineering group IV semiconductor-based quantum photonic structures containing negatively charged silicon-vacancy (SiV(-)) color centers in diamond as quantum emitters. Hybrid diamond-SiC structures are realized by combining the growth of nano- and microdiamonds on silicon carbide (3C or 4H polytype) substrates, with the subsequent use of these diamond crystals as a hard mask for pattern transfer. SiV(-) color centers are incorporated in diamond during its synthesis from molecular diamond seeds (diamondoids), with no need for ion-implantation or annealing. We show that the same growth technique can be used to grow a diamond layer controllably doped with SiV(-) on top of a high purity bulk diamond, in which we subsequently fabricate nanopillar arrays containing high quality SiV(-) centers. Scanning confocal photoluminescence measurements reveal optically active SiV(-) lines both at room temperature and low temperature (5 K) from all fabricated structures, and, in particular, very narrow line widths and small inhomogeneous broadening of SiV(-) lines from all-diamond nanopillar arrays, which is a critical requirement for quantum computation. At low temperatures (5 K) we observe in these structures the signature typical of SiV(-) centers in bulk diamond, consistent with a double lambda. These results indicate that high quality color centers can be incorporated into nanophotonic structures synthetically with properties equivalent to those in bulk diamond, thereby opening opportunities for applications in classical and quantum information processing.

  10. Revised self-consistent continuum solvation in electronic-structure calculations

    CERN Document Server

    Andreussi, Oliviero; Marzari, Nicola

    2011-01-01

    The solvation model proposed by Fattebert and Gygi [Journal of Computational Chemistry 23, 662 (2002)] and Scherlis et al. [Journal of Chemical Physics 124, 074103 (2006)] is reformulated, overcoming some of the numerical limitations encountered and extending its range of applicability. We first recast the problem in terms of induced polarization charges that act as a direct mapping of the self-consistent continuum dielectric; this allows to define a functional form for the dielectric that is well behaved both in the high-density region of the nuclear charges and in the low-density region where the electronic wavefunctions decay into the solvent. Second, we outline an iterative procedure to solve the Poisson equation for the quantum fragment embedded in the solvent that does not require multi-grid algorithms, is trivially parallel, and can be applied to any Bravais crystallographic system. Last, we capture some of the non-electrostatic or cavitation terms via a combined use of the quantum volume and quantum s...

  11. Holistic and Consistent Design Process for Hollow Structures Based on Braided Textiles and RTM

    Science.gov (United States)

    Gnädinger, Florian; Karcher, Michael; Henning, Frank; Middendorf, Peter

    2014-06-01

    The present paper elaborates a holistic and consistent design process for 2D braided composites in conjunction with Resin Transfer Moulding (RTM). These technologies allow a cost-effective production of composites due to their high degree of automation. Literature can be found that deals with specific tasks of the respective technologies but there is no work available that embraces the complete process chain. Therefore, an overall design process is developed within the present paper. It is based on a correlated conduction of sub-design processes for the braided preform, RTM-injection, mandrel plus mould and manufacturing. For each sub-process both, individual tasks and reasonable methods to accomplish them are presented. The information flow within the design process is specified and interdependences are illustrated. Composite designers will be equipped with an efficient set of tools because the respective methods regard the complexity of the part. The design process is applied for a demonstrator in a case study. The individual sub-design processes are accomplished exemplarily to judge about the feasibility of the presented work. For validation reasons, predicted braiding angles and fibre volume fractions are compared with measured ones and a filling and curing simulation based on PAM-RTM is checked against mould filling studies. Tool concepts for a RTM mould and mandrels that realise undercuts are tested. The individual process parameters for manufacturing are derived from previous design steps. Furthermore, the compatibility of the chosen fibre and matrix system is investigated based on pictures of a scanning electron microscope (SEM). The annual production volume of the demonstrator part is estimated based on these findings.

  12. Optical Fiber/Nanowire Hybrid Structures for Efficient Three-Dimensional Dye-Sensitized Solar Cells

    KAUST Repository

    Weintraub, Benjamin

    2009-11-09

    Wired up: The energy conversion efficiency of three-dimensional dye-sensitized solar cells (DSSCs) in a hybrid structure that integrates optical fibers and nanowire arrays is greater than that of a two-dimensional device. Internal axial illumination enhances the energy conversion efficiency of a rectangular fiber-based hybrid structure (see picture) by a factor of up to six compared to light illumination normal to the fiber axis from outside the device.

  13. A novel Michelson Fabry-Perot hybrid interference sensor based on the micro-structured fiber

    Science.gov (United States)

    Zhang, Yaxun; Zhang, Yu; Wang, Zhenzhen; Liu, Zhihai; Wei, Yong; Zhao, Enming; Yang, Xinghua; Zhang, Jianzhong; Yang, Jun; Yuan, Libo

    2016-09-01

    We propose and demonstrate a novel Michelson Fabry-Perot hybrid fiber interference sensor. By integrating a Michelson interferometer in a two-core fiber and a Fabry-Perot interferometer in a micro silica-capillary, we produce the Michelson Fabry-Perot hybrid interference sensor. Owing to the structure characteristic of the micro-structured fiber, this hybrid fiber interference sensor can achieve the measurement of the axial strain and radial bending simultaneously. The measurement sensitivity of the axial train is 0.015 nm/με and the measurement sensitivity of the radial bending is 1.393 nm/m-1.

  14. Probing the structure and function of biopolymer-carbon nanotube hybrids with molecular dynamics

    Science.gov (United States)

    Johnson, Robert R.

    2009-12-01

    Nanoscience deals with the characterization and manipulation of matter on the atomic/molecular size scale in order to deepen our understanding of condensed matter and develop revolutionary technology. Meeting the demands of the rapidly advancing nanotechnological frontier requires novel, multifunctional nanoscale materials. Among the most promising nanomaterials to fulfill this need are biopolymer-carbon nanotube hybrids (Bio-CNT). Bio-CNT consists of a single-walled carbon nanotube (CNT) coated with a self-assembled layer of biopolymers such as DNA or protein. Experiments have demonstrated that these nanomaterials possess a wide range of technologically useful properties with applications in nanoelectronics, medicine, homeland security, environmental safety and microbiology. However, a fundamental understanding of the self-assembly mechanics, structure and energetics of Bio-CNT is lacking. The objective of this thesis is to address this deficiency through molecular dynamics (MD) simulation, which provides an atomic-scale window into the behavior of this unique nanomaterial. MD shows that Bio-CNT composed of single-stranded DNA (ssDNA) self-assembles via the formation of high affinity contacts between DNA bases and the CNT sidewall. Calculation of the base-CNT binding free energy by thermodynamic integration reveals that these contacts result from the attractive pi--pi stacking interaction. Binding affinities follow the trend G > A > T > C. MD reveals that long ssDNA sequences are driven into a helical wrapping about CNT with a sub-10 nm pitch by electrostatic and torsional interactions in the backbone. A large-scale replica exchange molecular dynamics simulation reveals that ssDNA-CNT hybrids are disordered. At room temperature, ssDNA can reside in several low-energy conformations that contain a sequence-specific arrangement of bases detached from CNT surface. MD demonstrates that protein-CNT hybrids composed of the Coxsackie-adenovirus receptor are biologically

  15. Non-binary Hybrid LDPC Codes: Structure, Decoding and Optimization

    CERN Document Server

    Sassatelli, Lucile

    2007-01-01

    In this paper, we propose to study and optimize a very general class of LDPC codes whose variable nodes belong to finite sets with different orders. We named this class of codes Hybrid LDPC codes. Although efficient optimization techniques exist for binary LDPC codes and more recently for non-binary LDPC codes, they both exhibit drawbacks due to different reasons. Our goal is to capitalize on the advantages of both families by building codes with binary (or small finite set order) and non-binary parts in their factor graph representation. The class of Hybrid LDPC codes is obviously larger than existing types of codes, which gives more degrees of freedom to find good codes where the existing codes show their limits. We give two examples where hybrid LDPC codes show their interest.

  16. Hybrid structure of biotemplate-zinc-tin oxide for better optical, morphological and photocatalytic properties

    Science.gov (United States)

    Karpuraranjith, M.; Thambidurai, S.

    2017-03-01

    A new chitosan (as biotemplate)-zinc-tin oxide hybrid structure was successfully synthesized by a chemical precipitation method and annealed at 500 °C. We studied the structural changes, optical, thermal and photo catalytic properties. The chemical bonding of the Zn-O and Sn-O-Sn functional groups were confirmed by FT-IR absorption peaks appearing at 538 and 635 cm‑1. The different ratio of ZnO to SnO2 particles on the biotemplate matrix altered the morphology of the hybrids from an agglomerated state to a microcrystalline form confirmed by HR-SEM and TEM analysis. The formation of a Zn0.15Sn0.85O hybrid structure was observed in the visible light region, with an energy band gap of ∼3.19 eV and higher surface area of 98 m2 g‑1. The thermal property shows that CS-Zn0.15Sn0.85O has a higher thermal stability than a CS-Zn0.25Sn0.75O hybrid structure. The results demonstrate that the biotemplate-zinc-tin oxide hybrid structure has a reinforced effect compared to the other components. Therefore, a biotemplate-based zinc-tin oxide hybrid structure could be a promising material for better dye removal efficiency, which was obtained for ∼100 and 96% with MB and RY-15 dyes.

  17. Hierarchical structuring of liquid crystal polymer-Laponite hybrid materials.

    Science.gov (United States)

    Tritschler, Ulrich; Zlotnikov, Igor; Zaslansky, Paul; Aichmayer, Barbara; Fratzl, Peter; Schlaad, Helmut; Cölfen, Helmut

    2013-09-03

    Biomimetic organic-inorganic composite materials were fabricated via one-step self-organization on three hierarchical levels. The organic component was a polyoxazoline with pendent cholesteryl and carboxyl (N-Boc-protected amino acid) side chains that was able to form a chiral nematic lyotropic phase and bind to positively charged inorganic faces of Laponite. The Laponite particles formed a mesocrystalline arrangement within the liquid-crystal (LC) polymer phase upon shearing a viscous dispersion of Laponite nanoparticles and LC polymer in DMF. Complementary analytical and mechanical characterization techniques (AUC, POM, TEM, SEM, SAXS, μCT, and nanoindentation) covering the millimeter, micrometer, and nanometer length scales reveal the hierarchical structures and properties of the composite materials consisting of different ratios of Laponite nanoparticles and liquid-crystalline polymer.

  18. Enhancing k-space quantitative susceptibility mapping by enforcing consistency on the cone data (CCD) with structural priors.

    Science.gov (United States)

    Wen, Yan; Wang, Yi; Liu, Tian

    2016-02-01

    The inversion from the magnetic field to the magnetic susceptibility distribution is ill-posed because the dipole kernel, which relates the magnetic susceptibility to the magnetic field, has zeroes at a pair of cone surfaces in the k-space, leading to streaking artifacts on the reconstructed quantitative susceptibility maps (QSM). A method to impose consistency on the cone data (CCD) with structural priors is proposed to improve the solutions of k-space methods. The information in the cone region is recovered by enforcing structural consistency with structural prior, while information in the noncone trust region is enforced to be consistent with the magnetic field measurements in k-space. This CCD method was evaluated by comparing the initial results of existing QSM algorithms to the QSM results after CCD enhancement with respect to the COSMOS results in simulation, phantom, and in vivo human brain. The proposed method demonstrated suppression of streaking artifacts and the resulting QSM showed better agreement with reference standard QSM compared with other k-space based methods. By enforcing consistency with structural priors in the cone region, the missing data in the cone can be recovered and the streaking artifacts in QSM can be suppressed. © 2015 Wiley Periodicals, Inc.

  19. Neuronal, non-neuronal and hybrid forms of enolase in brain: structural, immunological and functional comparisons.

    Science.gov (United States)

    Marangos, P J; Zis, A P; Clark, R L; Goodwin, F K

    1978-07-07

    Three forms of the glycolytic enzyme, enolase [2-phospho-D-glycerate hydrolase (E.C. No. 4.2.1.11)] have been prepared from rat whole brain extract. The most acidic enolase form is neuron specific enolase (NSE) which had previously been designated neuron specific protein (NSP). The least acidic form designated non-neuronal enolase (NNE) has been purified and compared structurally, immunologically and functionally to NSE. NNE is a dimer of 86,500 M.W. consistint of two very similar subunits. The data establish that NNE is larger than NSE which has been shown to be composed of two apparently identical 39,000 molecular weight subunits (78,000). NNE is less acidic than NSE having a pI of 5.9 compared to the value of 4.7 for NSE. Structural and immunological analysis establishes that the NNE subunit is distinct from the NSE subunit, and are therfore products of two separate genes. The structural designation of NSE is (gammagamma) and that of NNE (alpha' alpha'). NSE is strictly localized in neurons indicating that the gene coding for the gamma subunit is only expressed in neuronal cells. The intermediate brain enolase form has been partially purified; structural and immunological evidence indicate that it is a hybrid molecule consisting of one NNE subunit and one NSE subunit (alpha'gamma).

  20. Self-Assembly of 1D/2D Hybrid Nanostructures Consisting of a Cd(II Coordination Polymer and NiAl-Layered Double Hydroxides

    Directory of Open Access Journals (Sweden)

    Gonzalo Abellán

    2015-12-01

    Full Text Available The preparation and characterization of a novel hybrid material based on the combination of a 2D-layered double hydroxide (LDH nanosheets and a 1D-coordination polymer (1D-CP has been achieved through a simple mixture of suspensions of both building blocks via an exfoliation/restacking approach. The hybrid material has been thoroughly characterized demonstrating that the 1D-CP moieties are intercalated as well as adsorbed on the surface of the LDH, giving rise to a layered assembly with the coexistence of the functionalities of their initial constituents. This hybrid represents the first example of the assembly of 1D/2D nanomaterials combining LDH with CP and opens the door for a plethora of different functional hybrid systems.

  1. Tensile properties of a boron/nitrogen-doped carbon nanotube–graphene hybrid structure

    Directory of Open Access Journals (Sweden)

    Kang Xia

    2014-03-01

    Full Text Available Doping is an effective approach that allows for the intrinsic modification of the electrical and chemical properties of nanomaterials. Recently, a graphene and carbon nanotube hybrid structure (GNHS has been reported, which extends the excellent properties of carbon-based materials to three dimensions. In this paper, we carried out a first-time investigation on the tensile properties of the hybrid structures with different dopants. It is found that with the presence of dopants, the hybrid structures usually exhibit lower yield strength, Young’s modulus, and earlier yielding compared to that of a pristine hybrid structure. For dopant concentrations below 2.5% no significant reduction of Young’s modulus or yield strength could be observed. For all considered samples, the failure is found to initiate at the region where the nanotubes and graphene sheets are connected. After failure, monatomic chains are normally observed around the failure region. Dangling graphene layers without the separation of a residual CNT wall are found to adhere to each other after failure with a distance of about 3.4 Å. This study provides a fundamental understanding of the tensile properties of the doped graphene–nanotube hybrid structures, which will benefit the design and also the applications of graphene-based hybrid materials.

  2. The doubly conditioned frequency spectrum does not distinguish between ancient population structure and hybridization

    KAUST Repository

    Eriksson, Anders

    2014-03-13

    Distinguishing between hybridization and population structure in the ancestral species is a key challenge in our understanding of how permeable species boundaries are to gene flow. The doubly conditioned frequency spectrum (dcfs) has been argued to be a powerful metric to discriminate between these two explanations, and it was used to argue for hybridization between Neandertal and anatomically modern humans. The shape of the observed dcfs for these two species cannot be reproduced by a model that represents ancient population structure in Africa with two populations, while adding hybridization produces realistic shapes. In this letter, we show that this result is a consequence of the spatial coarseness of the demographic model and that a spatially structured stepping stone model can generate realistic dcfs without hybridization. This result highlights how inferences on hybridization between recently diverged species can be strongly affected by the choice of how population structure is represented in the underlying demographic model. We also conclude that the dcfs has limited power in distinguishing between the signals left by hybridization and ancient structure. 2014 The Author.

  3. Magneto-fluorescent hybrid of dye and SPION with ordered and radially distributed porous structures

    Science.gov (United States)

    Gogoi, Madhulekha; Deb, Pritam

    2014-04-01

    We have reported the development of a silica based magneto-fluorescent hybrid of a newly synthesized dye and superparamagnetic iron oxide nanoparticles with ordered and radially distributed porous structure. The dye is synthesized by a novel yet simple synthetic approach based on Michael addition between dimer of glutaraldehyde and oleylamine molecule. The surfactant used for phase transformation of the dye from organic to aqueous phase, also acts as a structure directing agent for the porous structure evolution of the hybrid with radial distribution. The evolution of the radially distributed pores in the hybrids can be attributed to the formation of rod-like micelles containing nanoparticles, for concentration of micelles greater than critical micelle concentration. A novel water extraction method is applied to remove the surfactants resulting in the characteristic porous structure of the hybrid. Adsorption isotherm analysis confirms the porous nature of the hybrids with pore diameter ∼2.4 nm. A distinct modification in optical and magnetic property is observed due to interaction of the dye and SPION within the silica matrix. The integration of multiple structural components in the so developed hybrid nanosystem results into a potential agent for multifunctional biomedical application.

  4. Consistent LDA' + DMFT approach to the electronic structure of transition metal oxides: Charge transfer insulators and correlated metals

    Energy Technology Data Exchange (ETDEWEB)

    Nekrasov, I. A., E-mail: nekrasov@iep.uran.ru; Pavlov, N. S.; Sadovskii, M. V. [Russian Academy of Sciences, Institute for Electrophysics, Ural Branch (Russian Federation)

    2013-04-15

    We discuss the recently proposed LDA' + DMFT approach providing a consistent parameter-free treatment of the so-called double counting problem arising within the LDA + DMFT hybrid computational method for realistic strongly correlated materials. In this approach, the local exchange-correlation portion of the electron-electron interaction is excluded from self-consistent LDA calculations for strongly correlated electronic shells, e.g., d-states of transition metal compounds. Then, the corresponding double-counting term in the LDA' + DMFT Hamiltonian is consistently set in the local Hartree (fully localized limit, FLL) form of the Hubbard model interaction term. We present the results of extensive LDA' + DMFT calculations of densities of states, spectral densities, and optical conductivity for most typical representatives of two wide classes of strongly correlated systems in the paramagnetic phase: charge transfer insulators (MnO, CoO, and NiO) and strongly correlated metals (SrVO{sub 3} and Sr{sub 2}RuO{sub 4}). It is shown that for NiO and CoO systems, the LDA' + DMFT approach qualitatively improves the conventional LDA + DMFT results with the FLL type of double counting, where CoO and NiO were obtained to be metals. Our calculations also include transition-metal 4s-states located near the Fermi level, missed in previous LDA + DMFT studies of these monoxides. General agreement with optical and the X-ray experiments is obtained. For strongly correlated metals, the LDA' + DMFT results agree well with the earlier LDA + DMFT calculations and existing experiments. However, in general, LDA' + DMFT results give better quantitative agreement with experimental data for band gap sizes and oxygen-state positions compared to the conventional LDA + DMFT method.

  5. Consistent LDA' + DMFT approach to the electronic structure of transition metal oxides: Charge transfer insulators and correlated metals

    Science.gov (United States)

    Nekrasov, I. A.; Pavlov, N. S.; Sadovskii, M. V.

    2013-04-01

    We discuss the recently proposed LDA' + DMFT approach providing a consistent parameter-free treatment of the so-called double counting problem arising within the LDA + DMFT hybrid computational method for realistic strongly correlated materials. In this approach, the local exchange-correlation portion of the electron-electron interaction is excluded from self-consistent LDA calculations for strongly correlated electronic shells, e.g., d-states of transition metal compounds. Then, the corresponding double-counting term in the LDA' + DMFT Hamiltonian is consistently set in the local Hartree (fully localized limit, FLL) form of the Hubbard model interaction term. We present the results of extensive LDA' + DMFT calculations of densities of states, spectral densities, and optical conductivity for most typical representatives of two wide classes of strongly correlated systems in the paramagnetic phase: charge transfer insulators (MnO, CoO, and NiO) and strongly correlated metals (SrVO3 and Sr2RuO4). It is shown that for NiO and CoO systems, the LDA' + DMFT approach qualitatively improves the conventional LDA + DMFT results with the FLL type of double counting, where CoO and NiO were obtained to be metals. Our calculations also include transition-metal 4 s-states located near the Fermi level, missed in previous LDA + DMFT studies of these monoxides. General agreement with optical and the X-ray experiments is obtained. For strongly correlated metals, the LDA' + DMFT results agree well with the earlier LDA + DMFT calculations and existing experiments. However, in general, LDA' + DMFT results give better quantitative agreement with experimental data for band gap sizes and oxygen-state positions compared to the conventional LDA + DMFT method.

  6. A novel 3D sandwich structure of hybrid graphite nanosheets and silver nanowires as fillers for improved thermal conductivity

    Science.gov (United States)

    Zhuang, Xiao; Zhou, Yongcun; Liu, Feng

    2017-01-01

    We explored a novel 3D sandwich structure of fillers in the polymer matrix to enhance thermal conductivity. A variety of fillers in the polymer matrix play a significant role in the physical properties of the composite. Fillers containing particle and line structures are popular, and enhance the thermal and electrical conductivities. Therefore, filler-based matrix network improves conductivity. We propose a sandwich structure consisting of hybrid graphite nanosheets (two dimensions), and silver nanowires (AgNWs) (one dimension), to create a 3D sandwich structure of polyimide matrix with improved thermal conductivity. Surface treatment of graphite and silver nanowires were conducted to reduce the dielectric constant of the composite. We designed the filler of 20 wt% resulting in a high thermal conductivity of 3.21 W m‑1 K‑1 with 15% C@SiO2 and 5% AgNWs@SiO2 filler loading. The novel combination and structure markedly enhanced the thermal conductivity of the composite.

  7. Electrical investigations of hybrid OLED microcavity structures with novel encapsulation methods

    Science.gov (United States)

    Meister, Stefan; Brückner, Robert; Fröb, Hartmut; Leo, Karl

    2016-04-01

    An electrical driven organic solid state laser is a very challenging goal which is so far well beyond reach. As a step towards realization, we monolithically implemented an Organic Light Emitting Diode (OLED) into a dielectric, high quality microcavity (MC) consisting of two Distributed Bragg Reectors (DBR). In order to account for an optimal optical operation, the OLED structure has to be adapted. Furthermore, we aim to excite the device not only electrically but optically as well. Different OLED structures with an emission layer consisting of Alq3:DCM (2 wt%) were investigated. The External Quantum Efficiencies (EQE) of this hybrid structures are in the range of 1-2 %, as expected for this material combination. Including metal layers into a MC is complicated and has a huge impact on the device performance. Using Transfer-Matrix-Algorithm (TMA) simulations, the best positions for the metal electrodes are determined. First, the electroluminescence (EL) of the adjusted OLED structure on top of a DBR is measured under nitrogen atmosphere. The modes showed quality factors of Q = 60. After the deposition of the top DBR, the EL is measured again and the quality factors increased up to Q = 600. Considering the two 25-nm-thick-silver contacts a Q-factor of 600 is very high. The realization of a suitable encapsulation method is important. Two approaches were successfully tested. The first method is based on the substitution of a DBR layer with a layer produced via Atomic Layer Deposition (ALD). The second method uses a 0.15-mm-thick cover glass glued on top of the DBR with a 0.23-μm-thick single-component glue layer. Due to the working encapsulation, it is possible to investigate the sample under ambient conditions.

  8. Hybrid star structure with the Field Correlator Method

    Energy Technology Data Exchange (ETDEWEB)

    Burgio, G.F.; Zappala, D. [INFN, Catania (Italy)

    2016-03-15

    We explore the relevance of the color-flavor locking phase in the equation of state (EoS) built with the Field Correlator Method (FCM) for the description of the quark matter core of hybrid stars. For the hadronic phase, we use the microscopic Brueckner-Hartree-Fock (BHF) many-body theory, and its relativistic counterpart, i.e. the Dirac-Brueckner (DBHF). We find that the main features of the phase transition are directly related to the values of the quark-antiquark potential V{sub 1}, the gluon condensate G{sub 2} and the color-flavor superconducting gap Δ. We confirm that the mapping between the FCM and the CSS (constant speed of sound) parameterization holds true even in the case of paired quark matter. The inclusion of hyperons in the hadronic phase and its effect on the mass-radius relation of hybrid stars is also investigated. (orig.)

  9. Tunable fiber laser based on a cascaded structure consisting of in-line MZI and traditional MZI

    Science.gov (United States)

    Tong, Zheng-rong; Yang, He; Zhang, Wei-hua

    2016-11-01

    A tunable erbium-doped fiber (EDF) laser with a cascaded structure consisting of in-line Mach-Zehnder interferometer (MZI) and traditional MZI is proposed. The transmission spectrum of the in-line MZI is modulated by the traditional MZI, which determines the period of the cascaded structure, while the in-line MZI's transmission spectrum is the outer envelope curve of the cascaded structure's transmission spectrum. A stable single-wavelength lasing operation is obtained at 1 527.14 nm. The linewidth is less than 0.07 nm with a side-mode suppression ratio ( SMSR) over 48 dB. Fixing the in-line MZI structure on a furnace, when the temperature changes from 30 °C to 230 °C, the central wavelength can be tuned within the range of 12.4 nm.

  10. Trust and Contracting in Agri-Food Hybrid Structures

    OpenAIRE

    Martino, Gaetano

    2007-01-01

    The paper aims at examining the hypothesis that the influence of trust on contract can be thought of as a dynamic factor of organizational choices in supply chains. The relationship between contract and trust is delineated on the basis of institutional environment, contractual incompleteness, safeguards and restrictive provisions. The interaction between individual and system elements in the formation of trust and its influence in hybrid contracting is considered. According to a New Instituti...

  11. A generalized hybrid transfinite element computational approach for nonlinear/linear unified thermal/structural analysis

    Science.gov (United States)

    Tamma, Kumar K.; Railkar, Sudhir B.

    1987-01-01

    The present paper describes the development of a new hybrid computational approach for applicability for nonlinear/linear thermal structural analysis. The proposed transfinite element approach is a hybrid scheme as it combines the modeling versatility of contemporary finite elements in conjunction with transform methods and the classical Bubnov-Galerkin schemes. Applicability of the proposed formulations for nonlinear analysis is also developed. Several test cases are presented to include nonlinear/linear unified thermal-stress and thermal-stress wave propagations. Comparative results validate the fundamental capablities of the proposed hybrid transfinite element methodology.

  12. Improved Thermoelectric Performance in Flexible Tellurium Nanowires/Reduced Graphene Oxide Sandwich Structure Hybrid Films

    Science.gov (United States)

    Gao, Jie; Liu, Chengyan; Miao, Lei; Wang, Xiaoyang; Peng, Ying; Chen, Yu

    2016-11-01

    With a high flexibility and an adjustable electronic structure, reduced graphene oxide (RGO) is a potential candidate for flexible thermoelectric materials. Here, we report that flexible RGO/tellurium nanowires (Te NWs)/RGO sandwich structure hybrid films are prepared on glass fabrics through the drop-cast method. The addition of 20 wt.% Te NWs into a RGO matrix remarkably improves the Seebeck coefficient from 15.2 μV/K to 89.7 μV/K while maintaining relatively high electrical conductivity, thus resulting in a one order of magnitude higher power factor value compared with the Te NWs. According to the values of carrier mobility and concentration of hybrid films, the improved thermoelectric properties are presented because of the energy filtering effect on the interfaces in hybrid films. This article suggests that RGO/Te NWs/RGO hybrid films would be promising for fabricating flexible energy sources.

  13. Structure improvement and electrochemical studies of bipolar nickel metal hydride batteries for hybrid electric vehicles

    Institute of Scientific and Technical Information of China (English)

    DENG Chao; SHI Peng-fei

    2006-01-01

    Nickel metal hydride battery in bipolar design offers some advantages for its application as a power storage system for electric and hybrid vehicles. This paper deals with the structure design and electrochemical studies of bipolar Ni/MH batteries for hybrid vehicles. An improvement is applied in bipolar battery design,and such bipolar Ni/MH batteries with 5 sub-cells have been assembled and investigated. Testing results show that bipolar batteries with improved structure have better compression tolerance and cycle performance than conventional ones. In addition, the improved bipolar batteries display excellent large current discharge ability and high power density. As simulating working conditions for hybrid vehicles, the batteries show good stability during pulse cycles, which verifies the possibility of being used as a power storage device on hybrid vehicles.

  14. Improved Thermoelectric Performance in Flexible Tellurium Nanowires/Reduced Graphene Oxide Sandwich Structure Hybrid Films

    Science.gov (United States)

    Gao, Jie; Liu, Chengyan; Miao, Lei; Wang, Xiaoyang; Peng, Ying; Chen, Yu

    2017-05-01

    With a high flexibility and an adjustable electronic structure, reduced graphene oxide (RGO) is a potential candidate for flexible thermoelectric materials. Here, we report that flexible RGO/tellurium nanowires (Te NWs)/RGO sandwich structure hybrid films are prepared on glass fabrics through the drop-cast method. The addition of 20 wt.% Te NWs into a RGO matrix remarkably improves the Seebeck coefficient from 15.2 μV/K to 89.7 μV/K while maintaining relatively high electrical conductivity, thus resulting in a one order of magnitude higher power factor value compared with the Te NWs. According to the values of carrier mobility and concentration of hybrid films, the improved thermoelectric properties are presented because of the energy filtering effect on the interfaces in hybrid films. This article suggests that RGO/Te NWs/RGO hybrid films would be promising for fabricating flexible energy sources.

  15. Consistency and inconsistency of consensus methods for inferring species trees from gene trees in the presence of ancestral population structure.

    Science.gov (United States)

    DeGiorgio, Michael; Rosenberg, Noah A

    2016-08-01

    In the last few years, several statistically consistent consensus methods for species tree inference have been devised that are robust to the gene tree discordance caused by incomplete lineage sorting in unstructured ancestral populations. One source of gene tree discordance that has only recently been identified as a potential obstacle for phylogenetic inference is ancestral population structure. In this article, we describe a general model of ancestral population structure, and by relying on a single carefully constructed example scenario, we show that the consensus methods Democratic Vote, STEAC, STAR, R(∗) Consensus, Rooted Triple Consensus, Minimize Deep Coalescences, and Majority-Rule Consensus are statistically inconsistent under the model. We find that among the consensus methods evaluated, the only method that is statistically consistent in the presence of ancestral population structure is GLASS/Maximum Tree. We use simulations to evaluate the behavior of the various consensus methods in a model with ancestral population structure, showing that as the number of gene trees increases, estimates on the basis of GLASS/Maximum Tree approach the true species tree topology irrespective of the level of population structure, whereas estimates based on the remaining methods only approach the true species tree topology if the level of structure is low. However, through simulations using species trees both with and without ancestral population structure, we show that GLASS/Maximum Tree performs unusually poorly on gene trees inferred from alignments with little information. This practical limitation of GLASS/Maximum Tree together with the inconsistency of other methods prompts the need for both further testing of additional existing methods and development of novel methods under conditions that incorporate ancestral population structure.

  16. Novel fabrication technique of hybrid structure lens array for 3D images

    Science.gov (United States)

    Lee, Junsik; Kim, Junoh; Kim, Cheoljoong; Shin, Dooseub; Koo, Gyohyun; Won, Yong Hyub

    2016-03-01

    Tunable liquid lens arrays can produce three dimensional images by using electrowetting principle that alters surface tensions by applying voltage. This method has advantages of fast response time and low power consumption. However, it is challenging to fabricate a high fill factor liquid lens array and operate three dimensional images which demand high diopter. This study describes a hybrid structure lens array which has not only a liquid lens array but a solid lens array. A concave-shape lens array is unavoidable when using only the liquid lens array and some voltages are needed to make the lens flat. By placing the solid lens array on the liquid lens array, initial diopter can be positive. To fabricate the hybrid structure lens array, a conventional lithographic process in semiconductor manufacturing is needed. A negative photoresist SU-8 was used as chamber master molds. PDMS and UV adhesive replica molding are done sequentially. Two immiscible liquids, DI water and dodecane, are injected in the fabricated chamber, followed by sealing. The fabricated structure has a 20 by 20 pattern of cylindrical shaped circle array and the aperture size of each lens is 1mm. The thickness of the overall hybrid structure is about 2.8mm. Hybrid structure lens array has many advantages. Solid lens array has almost 100% fill factor and allow high efficiency. Diopter can be increased by more than 200 and negative diopter can be shifted to the positive region. This experiment showed several properties of the hybrid structure and demonstrated its superiority.

  17. Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.

    Science.gov (United States)

    Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V; Dhanya, R; Narayana, Chandrabhas; Peter, Sebastian C

    2016-04-04

    We have demonstrated engineering of the electronic band gap of the hybrid materials based on POMs (polyoxometalates), by controlling its structural complexity through variation in the conditions of synthesis. The pH- and temperature-dependent studies give a clear insight into how these experimental factors affect the overall hybrid structure and its properties. Our structural manipulations have been successful in effectively tuning the optical band gap and electronic band structure of this kind of hybrids, which can find many applications in the field of photovoltaic and semiconducting devices. We have also addressed a common crystallographic disorder observed in Keggin-ion (one type of heteropolyoxometalate [POMs])-based hybrid materials. Through a combination of crystallographic, spectroscopic, and theoretical analysis of four new POM-based hybrids synthesized with tactically varied reaction conditions, we trace the origin and nature of the disorder associated with it and the subtle local structural coordination involved in its core picture. While the crystallography yields a centrosymmetric structure with planar coordination of Si, our analysis with XPS, IR, and Raman spectroscopy reveals a tetrahedral coordination with broken inversion symmetry, corroborated by first-principles calculations.

  18. Lorentz structure vs relativistic consistency of an effective power-law potential model for quark-antiquark systems

    Energy Technology Data Exchange (ETDEWEB)

    Barik, N.; Jena, S.N.

    1982-11-01

    We show here that the relativistic consistency of an effective power-law potential V(r) = Ar/sup ..nu../+V/sub 0/ (with A, ..nu..>0) (used successfully to describe the heavy-meson spectra) in generating Dirac bound states of QQ-bar and Qq-bar systems implies, and also at the same time is implied by, an equally mixed vector-scalar Lorentz structure which was observed phenomenologically in the fine-hyperfine splittings of meson spectra.

  19. Novel nanocomposite hydrogels consisting of layered double hydroxide with ultrahigh tensibility and hierarchical porous structure at low inorganic content.

    Science.gov (United States)

    Hu, Ziqiao; Chen, Guangming

    2014-09-10

    A novel type of polymer nanocomposite (NC) hydrogel with extraordinary mechanical properties at low inorganic content is prepared and investigated. The NC hydrogels consist of isethionate-loaded layered double hydroxide/polyacrylamide (LDH-Ise/PAM) - with LDH-Ise being used because of its swelling properties - and no conventional organic crosslinker. The NC hydrogels exhibit an unusual hierarchical porous structure at the micro- and nanometer scales, and their elongation at break can exceed 4000%.

  20. Fast 3d Hybrid Seismic Modeling: Ray-fd Approach For Elastic Models With Locally Complex Structures

    Science.gov (United States)

    Oprsal, I.; Brokesova, J.; Faeh, D.; Giardini, D.

    Hybrid approaches may find broad applications wherever full source, path,and site effects modeling methods are too expensive. A new efficient hybrid method allowing to compute seismic wavefield in large 3D elastic models containing a complex local structure embedded in a large, but considerably simpler, structure is designed. This hybrid method combines the ray approach in the large simple structure with the finite difference (FD) approach in the local complex structure. The hybrid method is based on two successive steps. In the 1st one, the source and path information is carried by wavefield propagating in the large simple structure. This wavefield, calculated by the ray method, is incident at the points along a two-fold formal boundary (excitation box, EB) surrounding that part of the model which is to be replaced by the complex medium in the 2nd step. 3D rays are necessary due to ar- bitrary source-EB configuration, even in case the 1st step structure is less dimensional (2D, 1D, homogeneous). Along EB, the ray endpoints may be distributed sparsely thanks to relative simplicity of the structure. This reduces computer time requirements and also the size of the excitation file saved on the disk. The ray wavefield along EB provides (after interpolation in space and time) the input for the second step consisting in calculating the complete wavefield by the 3D FD method on irregular grids. The FD computational domain contains the EB and its close vicinity. The 2nd step model differs from the 1st step model only inside the EB where the local complex structure is inserted. To verify the consistency between the 1st and the 2nd step binding, the 2nd step computation can be performed on (unchanged) 1st step model ('replication test'). This should give the same wavefield as the 1st step inside, and zero wavefield outside the EB. The EB remains fully permeable for all waves propagating within the FD domain. Provided the 1st step structure does not contain too many layers

  1. Prediction of protein secondary structure using probability based features and a hybrid system.

    Science.gov (United States)

    Ghanty, Pradip; Pal, Nikhil R; Mudi, Rajani K

    2013-10-01

    In this paper, we propose some co-occurrence probability-based features for prediction of protein secondary structure. The features are extracted using occurrence/nonoccurrence of secondary structures in the protein sequences. We explore two types of features: position-specific (based on position of amino acid on fragments of protein sequences) as well as position-independent (independent of amino acid position on fragments of protein sequences). We use a hybrid system, NEUROSVM, consisting of neural networks and support vector machines for classification of secondary structures. We propose two schemes NSVMps and NSVM for protein secondary structure prediction. The NSVMps uses position-specific probability-based features and NEUROSVM classifier whereas NSVM uses the same classifier with position-independent probability-based features. The proposed method falls in the single-sequence category of methods because it does not use any sequence profile information such as position specific scoring matrices (PSSM) derived from PSI-BLAST. Two widely used datasets RS126 and CB513 are used in the experiments. The results obtained using the proposed features and NEUROSVM classifier are better than most of the existing single-sequence prediction methods. Most importantly, the results using NSVMps that are obtained using lower dimensional features, are comparable to those by other existing methods. The NSVMps and NSVM are finally tested on target proteins of the critical assessment of protein structure prediction experiment-9 (CASP9). A larger dataset is used to compare the performance of the proposed methods with that of two recent single-sequence prediction methods. We also investigate the impact of presence of different amino acid residues (in protein sequences) that are responsible for the formation of different secondary structures.

  2. The Doubly Conditioned Frequency Spectrum Does Not Distinguish between Ancient Population Structure and Hybridization

    OpenAIRE

    Eriksson, Anders; Manica, Andrea

    2014-01-01

    Distinguishing between hybridization and population structure in the ancestral species is a key challenge in our understanding of how permeable species boundaries are to gene flow. The doubly conditioned frequency spectrum (dcfs) has been argued to be a powerful metric to discriminate between these two explanations, and it was used to argue for hybridization between Neandertal and anatomically modern humans. The shape of the observed dcfs for these two species cannot be reproduced by a model ...

  3. Nanoscale Structure of Self-Assembling Hybrid Materials of Inorganic and Electronically Active Organic Phases

    Energy Technology Data Exchange (ETDEWEB)

    Sofos, M.; Goswami, D.A. Stone D.K.; Okasinski, J.S.; Jin, H.; Bedzyk, M.J.; Stupp, S.I. (NWU)

    2008-10-06

    Hybrid materials with nanoscale structure that incorporates inorganic and organic phases with electronic properties offer potential in an extensive functional space that includes photovoltaics, light emission, and sensing. This work describes the nanoscale structure of model hybrid materials with phases of silica and electronically active bola-amphiphile assemblies containing either oligo(p-phenylene vinylene) or oligo(thiophene) segments. The hybrid materials studied here were synthesized by evaporation-induced self-assembly and characterized by X-ray scattering techniques. Grazing-incidence X-ray scattering studies of these materials revealed the formation of two-dimensional hexagonally packed cylindrical micelles of the organic molecules with diameters between 3.1 and 3.6 nm and cylindrical axes parallel to the surface. During the self-assembly process at low pH, the cylindrical aggregates of conjugated molecules become surrounded by silica giving rise to a hybrid structure with long-range order. Specular X-ray reflectivity confirmed the long-range periodicity of the hybrid films within a specific range of molar ratios of tetraethyl orthosilicate to cationic amphiphile. We did not observe any long-range ordering in fully organic analogues unless quaternary ammonium groups were replaced by tertiary amines. These observations suggest that charge screening in these biscationic conjugated molecules by the mineral phase is a key factor in the evolution of long range order in the self-assembling hybrids.

  4. Enhanced non-radiative energy transfer in hybrid III-nitride structures

    Energy Technology Data Exchange (ETDEWEB)

    Smith, R. M.; Athanasiou, M.; Bai, J.; Liu, B.; Wang, T., E-mail: t.wang@sheffield.ac.uk [Department of Electrical and Electronic Engineering, University of Sheffield, Mappin Street, Sheffield S1 3JD (United Kingdom)

    2015-09-21

    The effect of surface states has been investigated in hybrid organic/inorganic white light emitting structures that employ high efficiency, nearfield non-radiative energy transfer (NRET) coupling. The structures utilize blue emitting InGaN/GaN multiple quantum well (MQW) nanorod arrays to minimize the separation with a yellow emitting F8BT coating. Surface states due to the exposed III-nitride surfaces of the nanostructures are found to reduce the NRET coupling rate. The surface states are passivated by deposition of a silicon nitride layer on the III-nitride nanorod surface leading to reduced surface recombination. A low thickness surface passivation is shown to increase the NRET coupling rate by 4 times compared to an un-passivated hybrid structure. A model is proposed to explain the increased NRET rate for the passivated hybrid structures based on the reduction in surface electron depletion of the passivated InGaN/GaN MQW nanorods surfaces.

  5. Enhanced non-radiative energy transfer in hybrid III-nitride structures

    Science.gov (United States)

    Smith, R. M.; Athanasiou, M.; Bai, J.; Liu, B.; Wang, T.

    2015-09-01

    The effect of surface states has been investigated in hybrid organic/inorganic white light emitting structures that employ high efficiency, nearfield non-radiative energy transfer (NRET) coupling. The structures utilize blue emitting InGaN/GaN multiple quantum well (MQW) nanorod arrays to minimize the separation with a yellow emitting F8BT coating. Surface states due to the exposed III-nitride surfaces of the nanostructures are found to reduce the NRET coupling rate. The surface states are passivated by deposition of a silicon nitride layer on the III-nitride nanorod surface leading to reduced surface recombination. A low thickness surface passivation is shown to increase the NRET coupling rate by 4 times compared to an un-passivated hybrid structure. A model is proposed to explain the increased NRET rate for the passivated hybrid structures based on the reduction in surface electron depletion of the passivated InGaN/GaN MQW nanorods surfaces.

  6. Synthesis and structural characterization of new inorganic–organic hybrid: arsenomolybdate compound with cytosinium cations

    Indian Academy of Sciences (India)

    Meriem Ayed; Brahim Ayed; Amor Haddad

    2015-02-01

    New organic–inorganic hybrid compound, with formula (C4H6N3O)6 [(HAsO4)2Mo6O19].7H2O, was prepared and characterized by IR and UV–visible spectroscopies and X-ray diffraction techniques. Thermal analysis was performed to study their thermal stability. The crystal structure of the title compound (triclinic, space group $P − 1$, = 2) was determined by X-ray diffraction. The compound contains the polyanion [(HAsO4)2Mo6O19]6−, which consists of the six molybdenum octahedral grouped into two parts consisting of four edge-sharing octahedral and two face-sharing octahedral, respectively, these two parts are connected by two corner-sharing O atoms to form a bent Mo6 ring. The polyanion framework derives from the Strandberg type and it is a new isomer. The cytosinium cations (Cyt+) are embedded in the channels and interact with the inorganic framework by way of N-H $\\cdots$ O and O-H $\\cdots$ O hydrogen bonds. Furthermore, the electrochemical property of this compound has been studied.

  7. A hybrid consisting of coordination polymer and noncovalent organic networks: a highly ordered 2-D phenol network assembled by edge-to-face pi-pi interactions.

    Science.gov (United States)

    Ko, Jung Woo; Min, Kil Sik; Suh, Myunghyun Paik

    2002-04-22

    A 2-D metal-organic open framework having 1-D channels, [Cu(C(10)H(26)N(6))](3)[C(6)H(3)(COO)(3)](2).18H(2)O (1), was constructed by the self-assembly of the Cu(II) complex of hexaazamacrocycle A (A = C(10)H(26)N(6)) with sodium 1,3,5-benzenetricarboxylate (BTC(3)(-)) in DMSO-H(2)O solution. 1 crystallizes in the trigonal space group P with a = b = 17.705(1) A, c = 6.940(1) A, alpha = beta = 90 degrees, gamma = 120 degrees, V = 1884.0(3) A(3), Z = 1, and rho(calcd) = 1.428 g cm(-3). The X-ray crystal structure of 1 indicates that each Cu(II) macrocyclic unit binds two BTC(3-) ions in a trans position and each BTC(3-) ion coordinates three Cu(II) macrocyclic complexes to form 2-D coordination polymer layers with honeycomb cavities (effective size 8.1 A), and the layers are packed to generate 1-D channels perpendicularly to the 2-D layers. Solid 1 binds guest molecules such as MeOH, EtOH, and PhOH with different binding constant and capacity. By the treatment of 1 with aqueous solution of phenol, a hybrid solid [Cu(C(10)H(26)N(6))](3)[C(6)H(3)(COO)(3)](2).9PhOH.6H(2)O (2) was assembled. 2 crystallizes in the trigonal R3 space group with a = b = 20.461(1) A, c = 24.159(1) A, alpha = beta = 90 degrees, gamma = 120 degrees, V = 8759.2(7) A(3), Z = 3, and rho(calcd) = 1.280 g cm(-3). In 2, highly ordered 2-D noncovalent phenol layers are formed by the edge-to-face pi-pi interactions between the phenol molecules and are alternately packed with the coordination polymer layers in the crystal lattice.

  8. Construction, expression and characterization of a plasmid-encoded Na(+)-specific ATPase hybrid consisting of Propionigenium modestum F0-ATPase and Escherichia coli F1-ATPase.

    Science.gov (United States)

    Kaim, G; Dimroth, P

    1994-06-01

    The Escherichia coli strain DK8, a deletion mutant lacking the complete unc operon, was transformed with a plasmid containing the genes encoding the a, b, c, delta and part of the alpha subunit of the Na(+)-dependent ATPase of Propionigenium modestum and the genes encoding the alpha, gamma, beta and epsilon subunits of the H(+)-dependent E. coli ATPase. The transformants showed Na(+)-dependent growth on succinate as non-fermentable carbon source. The functionally expressed hybrid ATPase was activated 13-fold at pH 7.5 by the addition of Na+ and inhibited by 1,3-dicyclohexylcarbodiimide, azide and tributyltin chloride. At pH 7.5 and pH 9.0, the hybrid enzyme was protected from inhibition by 1,3-dicyclohexylcarbodiimide in the presence of 50 mM NaCl and 5 mM NaCl, respectively. The hybrid ATPase was reconstituted into proteoliposomes and catalyzed the transport of Na+ upon ATP addition. ATP-dependent fluorescence quenching of 9-amino-6-chloro-2-methoxyacridine proved that the ATPase hybrid was able to pump protons in the absence of Na+. Furthermore, ATP synthesis could be measured under conditions where a valinomycin-mediated K+ diffusion potential (delta psi) and a Na+ concentration gradient (delta p Na+) were imposed.

  9. A hypoallergenic hybrid molecule with increased immunogenicity consisting of derivatives of the major grass pollen allergens, Phl p 2 and Phl p 6.

    Science.gov (United States)

    Linhart, Birgit; Mothes-Luksch, Nadine; Vrtala, Susanne; Kneidinger, Michael; Valent, Peter; Valenta, Rudolf

    2008-07-01

    Allergen-specific immunotherapy is currently based on the administration of allergen extracts containing natural allergens. However, its broad application is limited by the poor quality of these extracts. Based on recombinant allergens, well-defined allergy vaccines for allergen-specific immunotherapy can be produced. Furthermore, they can be modified to reduce their allergenic activity and to avoid IgE-mediated side effects. Here, we demonstrate that the immunogenicity of two grass pollen-derived hypoallergenic allergen derivatives could be increased by engineering them as a single hybrid molecule. We used a hypoallergenic Phl p 2 mosaic, generated by fragmentation of the Phl p 2 sequence and reassembly of the resulting peptides in an altered order, and a truncated Phl p 6 allergen, to produce a hybrid protein. The hybrid retained the reduction of IgE reactivity and allergenic activity of its components as shown by ELISA and basophil activation assays. Immunization with the hybrid molecule demonstrated the increased immunogenicity of this molecule, leading to higher levels of allergen-specific IgG antibodies compared to the single components. These antibodies could inhibit patients' IgE binding to the wild-type allergens. Thus, the described strategy allows the development of safer and more efficacious vaccines for the treatment of grass pollen allergy.

  10. Fabrication and characterization of materials and structures for hybrid organic-inorganic photonics

    Science.gov (United States)

    Haško, Daniel; Chovan, Jozef; Uherek, František

    2017-03-01

    Hybrid organic-inorganic integrated photonics integrate the organic material, as a part of active layer, with inorganic structure, and it is the organic component that extends the functionalities as compared to inorganic photonics. This paper presents the results of fabrication and characterization of inorganic and organic layers, as well as of hybrid organic-inorganic structures. Inorganic oxide and nitride materials and structures were grown using plasma enhanced chemical vapor deposition. As a substrate for tested organic layers and for preparation of multilayer structures, commercially available SiO2 created by thermal oxidation on Si was used. The hybrid organic-inorganic structures were prepared by spin coating of organic materials on SiO2/Si inorganic structures. As the basic photonics devices, the testing strip inorganic and organic waveguides were fabricated using reactive ion etching. The shape of fabricated testing waveguides was trapezoidal and etched structures were able to guide the radiation. The presented technology enabled to prepare hybrid organic-inorganic structures of comparable dimensions and shape. The fabricated waveguides dimensions and shape will be used for optimisation and design of new lithographic mask to prepare photonic components with required characteristics.

  11. THE STRUCTURE AND PROPERTIES OF CHITOSAN/PPLYETHYLENE GLYCOL/SILICA TERNARY HYBRID ORGANIC-NORGANIC FILMS

    Institute of Scientific and Technical Information of China (English)

    Rui Song; Rui Xue; Ling-hao He; Ying Liu; Qiao-ling Xiao

    2008-01-01

    The ternary hybrid films consisting of chitosan(CS),polyethylene glycol(PEG)and nano-sized silica which was surface-modified by amino groups(RNSA)were prepared.The structures of the blend membranes were characterized by attenuation total reflection-infrared spectroscopy(ATR-IR),X-ray diffraction(XRD),optical microscopy(OM)and differential scanning calorimetry (DSC).The results showed that the addition of silica affected not only the distribution and crystallinity of PEG on the sample surface.but also the phase coarseness and the crystalline structure of chitosan in the blend system.Moreover,PEG changed the crystalline structure of chitosan.Upon annealing(at 100℃ for 1 h),the blends would show the altered crystalline structure of chitosan,the reinforced phase coarseness.as well as the decreased miscibility and interaction between chitosan and PEG.

  12. Synthesis and structures of new hybrid fluorides templated by tetraprotonated pentaerythrityl tetramine

    Science.gov (United States)

    Adil, K.; Goreshnik, E.; Courant, S.; Dujardin, G.; Leblanc, M.; Maisonneuve, V.

    2004-11-01

    A new route to synthetize the pentaerythrityl tetramine ( tetra), C(CH 2NH 2) 4, is established with a good overall yield (75-80%) and four hybrid fluorides, templated by tetra, are synthetized by hydrothermal technique and microwave heating: cis-[H 4tetra]•(AlF 5) 2 ( I), trans-[H 4tetra]•(AlF 5) 2 ( II), [H 4tetra]•(AlF 6)•(Cl) ( III) and (H 3O)•[H 4tetra] 2•(Ga(OH) 2F 4)•(GaF 6) 2•2H 2O ( IV). Structural determinations are performed from single crystal X-ray diffraction data. Structures of I and II are built up from infinite (∞ chains of corner sharing AlF 6 octahedra; the octahedra are cis-connected in I and trans-connected in II. III and IV are molecular phases and consist of isolated AlF 6 ( III) or Ga(OH) 2F 4 and GaF 6 ( IV) octahedra. Isolated chloride ions are found in III. Charge balance is ensured by tetraprotonated amine [ and the cohesion between inorganic and organic parts is due to hydrogen bonds.

  13. Efficient light emission from inorganic and organic semiconductor hybrid structures by energy-level tuning.

    Science.gov (United States)

    Schlesinger, R; Bianchi, F; Blumstengel, S; Christodoulou, C; Ovsyannikov, R; Kobin, B; Moudgil, K; Barlow, S; Hecht, S; Marder, S R; Henneberger, F; Koch, N

    2015-04-15

    The fundamental limits of inorganic semiconductors for light emitting applications, such as holographic displays, biomedical imaging and ultrafast data processing and communication, might be overcome by hybridization with their organic counterparts, which feature enhanced frequency response and colour range. Innovative hybrid inorganic/organic structures exploit efficient electrical injection and high excitation density of inorganic semiconductors and subsequent energy transfer to the organic semiconductor, provided that the radiative emission yield is high. An inherent obstacle to that end is the unfavourable energy level offset at hybrid inorganic/organic structures, which rather facilitates charge transfer that quenches light emission. Here, we introduce a technologically relevant method to optimize the hybrid structure's energy levels, here comprising ZnO and a tailored ladder-type oligophenylene. The ZnO work function is substantially lowered with an organometallic donor monolayer, aligning the frontier levels of the inorganic and organic semiconductors. This increases the hybrid structure's radiative emission yield sevenfold, validating the relevance of our approach.

  14. Proximity-induced low-energy renormalization in hybrid semiconductor-superconductor Majorana structures

    Science.gov (United States)

    Stanescu, Tudor D.; Das Sarma, Sankar

    2017-07-01

    A minimal model for the hybrid superconductor-semiconductor nanowire Majorana platform is developed that fully captures the effects of the low-energy renormalization of the nanowire modes arising from the presence of the parent superconductor. In this model, the parent superconductor is an active component that participates explicitly in the low-energy physics, not just a passive partner that only provides proximity-induced Cooper pairs for the nanowire. This treatment on an equal footing of the superconductor and the semiconductor has become necessary in view of recent experiments, which do not allow a consistent interpretation based just on the bare semiconductor properties. The general theory involves the evaluation of the exact semiconductor Green's function that includes a dynamical self-energy correction arising from the tunnel-coupled superconductor. Using a tight-binding description, the nanowire Green's function is obtained in various relevant parameter regimes, with the parent superconductor being treated within the BCS-BdG prescription. General conditions for the emergence of topological superconductivity are worked out for single-band as well as multiband nanowires and detailed numerical results are given for both infinite and finite wire cases. The topological quantum phase diagrams are provided numerically and the Majorana bound states are obtained along with their oscillatory energy-splitting behaviors due to wave function overlap in finite wires. Renormalization effects are shown to be both qualitatively and quantitatively important in modifying the low-energy spectrum of the nanowire. The results of the theory are found to be in good qualitative agreement with Majorana nanowire experiments, leading to the conclusion that the proximity-induced low-energy renormalization of the nanowire modes by the parent superconductor is of fundamental importance in superconductor-semiconductor hybrid structures, except perhaps in the uninteresting limit of

  15. Immunization with the hybrid protein vaccine, consisting of Leishmania major cysteine proteinases Type I (CPB) and Type II (CPA), partially protects against leishmaniasis.

    Science.gov (United States)

    Zadeh-Vakili, Azita; Taheri, Tahere; Taslimi, Yasaman; Doustdari, Fatemeh; Salmanian, Ali-Hatef; Rafati, Sima

    2004-05-07

    Cysteine proteinases (CPs) are enzymes that belong to the papain superfamily, which are found in a number of organisms from prokaryotes to mammals. On the parasitic protozoan Leishmania, extensive studies have shown that CPs are involved in parasite survival, replication and the onset of disease, and have, therefore, been considered as attractive drugs and/or vaccine targets for the control of leishmaniasis. We have previously shown that cysteine proteinases, Type I (CPB) and Type II (CPA), in Leishmania major (L. major), delivered as recombinant proteins or in plasmid DNA, induce partial protection against infection with the parasite in BALB/c mice. We had shown that the level of protection was greater if a cocktail of cpa and cpb containing DNA constructs was used. Therefore, to reduce the costs associated with the production of these vaccine candidates, a construct was developed, whereby the cpa and cpb genes were fused together to give rise to a single hybrid protein. The genes were fused in tandem where the C-terminal extension (CTE), encoding region of CPB, was located at the 3' of the fused genes, and ultimately expressed in the bacterial expression construct pET-23a. The expression of the CPA/B hybrid protein (60 kDa) was verified using rabbit anti-CPA and anti-CPB antibodies by SDS-PAGE and immunoblotting. The protective potential of the CPA/B hybrid protein against the infection with Leishmania was then assessed in BALB/c mice. The animals were vaccinated with CPA/B, challenged with live L. major promastigotes, and the degree of protection was examined by measuring footpad lesion sizes. It was found that there was a delay in the expansion of lesions size compared to control groups. Furthermore, an immunological analysis of antibody isotypes, before and after infection, showed high levels of IgG2a compared to IgG1 (more than five-fold) in the CPA/B hybrid protein vaccinated group. In addition, a predominant Th1 immune response characterized by in vitro IFN

  16. Absorption enhancement and total absorption in a graphene-waveguide hybrid structure

    Science.gov (United States)

    Guo, Jun; Wu, Leiming; Dai, Xiaoyu; Xiang, Yuanjiang; Fan, Dianyuan

    2017-02-01

    We propose a graphene/planar waveguide hybrid structure, and demonstrate total absorption in the visible wavelength range by means of attenuated total reflectance. The excitation of planar waveguide mode, which has strong near field enhancement and increased light interaction length with graphene, plays a vital role in total absorption. We analyze the origin and physical insight of total absorption theoretically by using an approximated reflectance, and show how to design such hybrid structure numerically. Utilizing the tunability of doped graphene, we discuss the possible application in optical modulators. We also achieve broadband absorption enhancement in near-IR range by cascading multiple graphene-waveguide hybrid structures. We believe our results will be useful not only for potential applications in optical devices, but also for studying other two-dimension materials.

  17. Absorption enhancement and total absorption in a graphene-waveguide hybrid structure

    Directory of Open Access Journals (Sweden)

    Jun Guo

    2017-02-01

    Full Text Available We propose a graphene/planar waveguide hybrid structure, and demonstrate total absorption in the visible wavelength range by means of attenuated total reflectance. The excitation of planar waveguide mode, which has strong near field enhancement and increased light interaction length with graphene, plays a vital role in total absorption. We analyze the origin and physical insight of total absorption theoretically by using an approximated reflectance, and show how to design such hybrid structure numerically. Utilizing the tunability of doped graphene, we discuss the possible application in optical modulators. We also achieve broadband absorption enhancement in near-IR range by cascading multiple graphene-waveguide hybrid structures. We believe our results will be useful not only for potential applications in optical devices, but also for studying other two-dimension materials.

  18. Tailoring the spin waves band structure of 1D magnonic crystals consisting of L-shaped iron/permalloy nanowires

    Science.gov (United States)

    Gubbiotti, G.; Silvani, R.; Tacchi, S.; Madami, M.; Carlotti, G.; Yang, Z.; Adeyeye, A. O.; Kostylev, M.

    2017-03-01

    We have investigated both experimentally and numerically the magnonic band structure of arrays of closely spaced Fe/permalloy nanowires (NWs) with an L-shape cross-section using the Brillouin light scattering technique and GPU-based micromagnetic simulations. NWs consist of a 340 nm wide and 10 nm thick permalloy layer covered by a 170 nm wide Fe overlayer. The thickness of the latter was varied in the range from 0 to 10 nm in order to analyze its influence on the magnonic band structure. We found that both the frequency and the spatial profile of the most intense and dispersive mode, can be efficiently tuned by the presence of the thin Fe NW overlayer. In particular, by increasing the Fe thickness, one observes a substantial frequency increase, while the spatial profile of the mode narrows and moves to the permalloy NW portion not covered by Fe. In addition, the presence of the Fe overlayer causes a significant increase of the number of detected modes and a change of their intensity in the Brillouin spectra as a function of the Bloch wave number. These results show that it is possible to engineer the band structure of magnonic crystals consisting of bi-layered, L-shaped, NWs by a careful control of the overlayer thickness.

  19. A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: Multi-center molecular Ornstein–Zernike self-consistent field approach

    Energy Technology Data Exchange (ETDEWEB)

    Kido, Kentaro, E-mail: kido.kentaro@jaea.go.jp [Nuclear Safety Research Center, Japan Atomic Energy Agency, 2-4 Shirane, Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Kasahara, Kento [Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510 (Japan); Yokogawa, Daisuke [Department of Chemistry, Graduate School of Science, Nagoya University, Chikusa, Nagoya 464-8602 (Japan); Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Chikusa, Nagoya 464-8062 (Japan); Sato, Hirofumi [Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510 (Japan); Elements Strategy Institute for Catalysts and Batteries (ESICB), Kyoto University, Katsura, Kyoto 615-8520 (Japan)

    2015-07-07

    In this study, we reported the development of a new quantum mechanics/molecular mechanics (QM/MM)-type framework to describe chemical processes in solution by combining standard molecular-orbital calculations with a three-dimensional formalism of integral equation theory for molecular liquids (multi-center molecular Ornstein–Zernike (MC-MOZ) method). The theoretical procedure is very similar to the 3D-reference interaction site model self-consistent field (RISM-SCF) approach. Since the MC-MOZ method is highly parallelized for computation, the present approach has the potential to be one of the most efficient procedures to treat chemical processes in solution. Benchmark tests to check the validity of this approach were performed for two solute (solute water and formaldehyde) systems and a simple S{sub N}2 reaction (Cl{sup −} + CH{sub 3}Cl → ClCH{sub 3} + Cl{sup −}) in aqueous solution. The results for solute molecular properties and solvation structures obtained by the present approach were in reasonable agreement with those obtained by other hybrid frameworks and experiments. In particular, the results of the proposed approach are in excellent agreements with those of 3D-RISM-SCF.

  20. Electronic band structure effects in monolayer, bilayer, and hybrid graphene structures

    Science.gov (United States)

    Puls, Conor

    Since its discovery in 2005, graphene has been the focus of intense theoretical and experimental study owing to its unique two-dimensional band structure and related electronic properties. In this thesis, we explore the electronic properties of graphene structures from several perspectives including the magnetoelectrical transport properties of monolayer graphene, gap engineering and measurements in bilayer graphene, and anomalous quantum oscillation in the monolayer-bilayer graphene hybrids. We also explored the device implications of our findings, and the application of some experimental techniques developed for the graphene work to the study of a complex oxide, Ca3Ru2O7, exhibiting properties of strongly correlated electrons. Graphene's high mobility and ballistic transport over device length scales, make it suitable for numerous applications. However, two big challenges remain in the way: maintaining high mobility in fabricated devices, and engineering a band gap to make graphene compatible with logical electronics and various optical devices. We address the first challenge by experimentally evaluating mobilities in scalable monolayer graphene-based field effect transistors (FETs) and dielectric-covered Hall bars. We find that the mobility is limited in these devices, and is roughly inversely proportional to doping. By considering interaction of graphene's Dirac fermions with local charged impurities at the interface between graphene and the top-gate dielectric, we find that Coulomb scattering is responsible for degraded mobility. Even in the cleanest devices, a band gap is still desirable for electronic applications of graphene. We address this challenge by probing the band structure of bilayer graphene, in which a field-tunable energy band gap has been theoretically proposed. We use planar tunneling spectroscopy of exfoliated bilayer graphene flakes demonstrate both measurement and control of the energy band gap. We find that both the Fermi level and

  1. Lack of mitochondrial DNA structure in Balkan donkey is consistent with a quick spread of the species after domestication.

    Science.gov (United States)

    Pérez-Pardal, L; Grizelj, J; Traoré, A; Cubric-Curik, V; Arsenos, G; Dovenski, T; Marković, B; Fernández, I; Cuervo, M; Alvarez, I; Beja-Pereira, A; Curik, I; Goyache, F

    2014-02-01

    A total of 132 mtDNA sequences from 10 Balkan donkey populations were analysed to ascertain their regional genetic structure and to contribute to the knowledge of the spreading of the species after domestication. The Balkan donkey sequences were compared with those from 40 Burkina Faso donkeys as an African outgroup to account for possible local Balkan scenarios. The 172 sequences gave 62 different haplotypes (55 in Balkan donkey). Virtually all the analysed populations had haplotypes assigned to either Clade 1 or Clade 2 even though the relative proportion of Clade 1 or 2 haplotypes differed across populations. Geographical maps constructed using factors computed via principal component analysis showed that the Balkan donkey populations are not spatially structured. AMOVA confirmed a lack of genetic structure in Balkan donkey mtDNA. Balkan populations were poorly differentiated (ΦST  = 0.071). Differentiation between the Balkan donkey and the African outgroup also was low. The lack of correspondence between geographical areas and maternal genetic structure is consistent with the hypothesis suggesting a very quick spread of the species after domestication. The current research illustrates the difficulties to trace routes of expansion in donkey, as the species has no geographical structure.

  2. CVD growth of graphene under exfoliated hexagonal boron nitride for vertical hybrid structures

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Min [SKKU Advanced Institute of Nanotechnology (SAINT) (Korea, Republic of); Center for Human Interface Nanotechnology (HINT) (Korea, Republic of); Jang, Sung Kyu [SKKU Advanced Institute of Nanotechnology (SAINT) (Korea, Republic of); Song, Young Jae [SKKU Advanced Institute of Nanotechnology (SAINT) (Korea, Republic of); Department of Physics, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of); Lee, Sungjoo, E-mail: leesj@skku.edu [SKKU Advanced Institute of Nanotechnology (SAINT) (Korea, Republic of); Center for Human Interface Nanotechnology (HINT) (Korea, Republic of); College of Information and Communication Engineering, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of)

    2015-01-15

    Graphical abstract: We have demonstrated a novel yet simple method for fabricating graphene-based vertical hybrid structures by performing the CVD growth of graphene at an h-BN/Cu interface. Our systematic Raman measurements combined with plasma etching process indicate that a graphene film is grown under exfoliated h-BN rather than on its top surface, and that an h-BN/graphene vertical hybrid structure has been fabricated. Electrical transport measurements of this h-BN/graphene, transferred on SiO2, show the carrier mobility up to approximately 2250 cm{sup 2} V{sup −1} s{sup −1}. The developed method would enable the exploration of the possibility of novel hybrid structure integration with two-dimensional material systems. - Abstract: We have demonstrated a novel yet simple method for fabricating graphene-based vertical hybrid structures by performing the CVD growth of graphene at an h-BN/Cu interface. Our systematic Raman measurements combined with plasma etching process indicate that a graphene film is grown under exfoliated h-BN rather than on its top surface, and that an h-BN/graphene vertical hybrid structure has been fabricated. Electrical transport measurements of this h-BN/graphene, transferred on SiO{sub 2}, show the carrier mobility up to approximately 2250 cm{sup 2} V{sup −1} s{sup −1}. The developed method would enable the exploration of the possibility of novel hybrid structure integration with two-dimensional material systems.

  3. Preparation and Characterization of a Hybrid Solid Polymer Electrolyte Consisting of Poly(Ethyleneoxide) and Poly(Acrylonitrile) for Polymer-Battery Application

    OpenAIRE

    Nookala, Munichandraiah; Scanlon, Lawrence G; Marsh, Richard A

    1997-01-01

    For application in an ambient temperature solid state lithium battery a highly dimensionally-stable polymer electrolyte based on polyethyleneoxide (PEO) suffers from low ionic conductivity, whereas a highly conducting gel electrolyte based on polyacrylonitrile (PAN) suffers from low dimensional stability. In order to overcome these problems, a hybrid solid polymer electrolyte (HSPE) was prepared using PEO, PAN, propylene carbonate (PC), ethylene carbonate (EC) and lithium perchlorate. The HSP...

  4. Consistency between the monopole strength of the Hoyle state determined by structural calculation and that extracted from reaction observables

    CERN Document Server

    Minomo, Kosho

    2016-01-01

    We analyze the $\\alpha$-$^{12}$C inelastic scattering to the $0^+_2$ state of $^{12}$C, the Hoyle state, in a fully microscopic framework. With no free adjustable parameter, the inelastic cross sections at forward angles are well reproduced by the microscopic reaction calculation using the transition density of $^{12}$C obtained by the resonating group method and the nucleon-nucleon $g$ matrix interaction developed by the Melbourne group. It is thus shown that the monopole transition strength obtained by the structural calculation is consistent with that extracted from the reaction observable, suggesting no missing monopole strength of the Hoyle state.

  5. Sampling Enrichment toward Target Structures Using Hybrid Molecular Dynamics-Monte Carlo Simulations.

    Science.gov (United States)

    Yang, Kecheng; Różycki, Bartosz; Cui, Fengchao; Shi, Ce; Chen, Wenduo; Li, Yunqi

    2016-01-01

    Sampling enrichment toward a target state, an analogue of the improvement of sampling efficiency (SE), is critical in both the refinement of protein structures and the generation of near-native structure ensembles for the exploration of structure-function relationships. We developed a hybrid molecular dynamics (MD)-Monte Carlo (MC) approach to enrich the sampling toward the target structures. In this approach, the higher SE is achieved by perturbing the conventional MD simulations with a MC structure-acceptance judgment, which is based on the coincidence degree of small angle x-ray scattering (SAXS) intensity profiles between the simulation structures and the target structure. We found that the hybrid simulations could significantly improve SE by making the top-ranked models much closer to the target structures both in the secondary and tertiary structures. Specifically, for the 20 mono-residue peptides, when the initial structures had the root-mean-squared deviation (RMSD) from the target structure smaller than 7 Å, the hybrid MD-MC simulations afforded, on average, 0.83 Å and 1.73 Å in RMSD closer to the target than the parallel MD simulations at 310K and 370K, respectively. Meanwhile, the average SE values are also increased by 13.2% and 15.7%. The enrichment of sampling becomes more significant when the target states are gradually detectable in the MD-MC simulations in comparison with the parallel MD simulations, and provide >200% improvement in SE. We also performed a test of the hybrid MD-MC approach in the real protein system, the results showed that the SE for 3 out of 5 real proteins are improved. Overall, this work presents an efficient way of utilizing solution SAXS to improve protein structure prediction and refinement, as well as the generation of near native structures for function annotation.

  6. Compact hybrid cell based on a convoluted nanowire structure for harvesting solar and mechanical energy

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Chen; Wang, Zhong Lin [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332 (United States)

    2011-02-15

    A fully integrated, solid-state, compact hybrid cell (CHC) that comprises ''convoluted'' ZnO nanowire structures for concurrent harvesting of both solar and mechanical energy is demonstrated. The compact hybrid cell is based on a conjunction design of an organic solid-state dye-sensitized solar cell (DSSC) and piezoelectric nanogenerator in one compact structure. The CHC shows a significant increase in output power, clearly demonstrating its potential for simultaneously harvesting multiple types of energy for powering small electronic devices for independent, sustainable, and mobile operation. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Hybrid local FEM/global LISA modeling of damped guided wave propagation in complex composite structures

    Science.gov (United States)

    Shen, Yanfeng; Cesnik, Carlos E. S.

    2016-09-01

    This paper presents a new hybrid modeling technique for the efficient simulation of guided wave generation, propagation, and interaction with damage in complex composite structures. A local finite element model is deployed to capture the piezoelectric effects and actuation dynamics of the transmitter, while the global domain wave propagation and interaction with structural complexity (structure features and damage) are solved utilizing a local interaction simulation approach (LISA). This hybrid approach allows the accurate modeling of the local dynamics of the transducers and keeping the LISA formulation in an explicit format, which facilitates its readiness for parallel computing. The global LISA framework was extended through the 3D Kelvin-Voigt viscoelasticity theory to include anisotropic damping effects for composite structures, as an improvement over the existing LISA formulation. The global LISA framework was implemented using the compute unified device architecture running on graphic processing units. A commercial preprocessor is integrated seamlessly with the computational framework for grid generation and material property allocation to handle complex structures. The excitability and damping effects are successfully captured by this hybrid model, with experimental validation using the scanning laser doppler vibrometry. To demonstrate the capability of our hybrid approach for complex structures, guided wave propagation and interaction with a delamination in a composite panel with stiffeners is presented.

  8. Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification.

    Science.gov (United States)

    Daga, Pankaj R; Polgar, Willma E; Zaveri, Nurulain T

    2014-10-27

    The antagonist-bound crystal structure of the nociceptin receptor (NOP), from the opioid receptor family, was recently reported along with those of the other opioid receptors bound to opioid antagonists. We recently reported the first homology model of the 'active-state' of the NOP receptor, which when docked with 'agonist' ligands showed differences in the TM helices and residues, consistent with GPCR activation after agonist binding. In this study, we explored the use of the active-state NOP homology model for structure-based virtual screening to discover NOP ligands containing new chemical scaffolds. Several NOP agonist and antagonist ligands previously reported are based on a common piperidine scaffold. Given the structure-activity relationships for known NOP ligands, we developed a hybrid method that combines a structure-based and ligand-based approach, utilizing the active-state NOP receptor as well as the pharmacophoric features of known NOP ligands, to identify novel NOP binding scaffolds by virtual screening. Multiple conformations of the NOP active site including the flexible second extracellular loop (EL2) loop were generated by simulated annealing and ranked using enrichment factor (EF) analysis and a ligand-decoy dataset containing known NOP agonist ligands. The enrichment factors were further improved by combining shape-based screening of this ligand-decoy dataset and calculation of consensus scores. This combined structure-based and ligand-based EF analysis yielded higher enrichment factors than the individual methods, suggesting the effectiveness of the hybrid approach. Virtual screening of the CNS Permeable subset of the ZINC database was carried out using the above-mentioned hybrid approach in a tiered fashion utilizing a ligand pharmacophore-based filtering step, followed by structure-based virtual screening using the refined NOP active-state models from the enrichment analysis. Determination of the NOP receptor binding affinity of a selected set

  9. Synthesis and structural characterization of polyoxometalates incorporating with anilinium cations and facile preparation of hybrid film

    Science.gov (United States)

    Fukaya, Keisuke; Srifa, Atthapon; Isikawa, Eri; Naruke, Haruo

    2010-08-01

    The self-assembly reaction of tungstate and copper(II) in the presence of aniline (ANI) and phosphoric acid led to the formation of an anilinium (ANIH +) salt of mono-substituted Keggin-type polyoxotungstophosphate (ANIH) 5[PCu(H 2O)W 11O 39](ANI)·8H 2O ( 1), while the reaction of heptamolybdate in the coexistence of copper(II), phosphoric acid and ANI yielded an ANIH + salt of Strandberg-type pentamolybdodiphosphate, (ANIH) 2[(PO 4) 2Mo 5O 15{Cu(ANI) 2(H 2O)} 2](ANI)·2H 2O ( 2). These compounds were characterized by elemental analysis, infrared spectroscopy and X-ray single-crystal analysis. The compound 1, crystallizing in trigonal, P3¯,a = 13.883(4), c = 10.187(3) Å, Z = 1, consists of copper mono-substituted Keggin-typed [PCu(H 2O)W 11O 39] 5- anion surrounded by six ANI molecules, of which five are protonated (ANIH +). The compound 2, crystallizing in triclinic, P1¯,a = 13.98(2), b = 14.73(1), c = 16.24(1) Å, α = 111.27(3), β = 97.42(3), γ = 99.54(4)°, Z = 2, consists of Strandberg-type pentamolybdodiphospate [(PO 4) 2Mo 5O 15] 6- anions interconnected by two Cu(ANI) 2(H 2O) linkers to form a 1D-chain structure. A potentiostatic electrolysis of 1 in aqueous solution gave rise to electropolymerization of the ANIH + cations (and ANI) and deposition with the [PCu(H 2O)W 11O 39] 5- anion on an ITO electrode, forming a nano-structured polyaniline/[PCu(H 2O)W 11O 39] 5- hybrid thin film.

  10. Study of internal consistency and factor structure of three versions of the Zung’s rating instrument for anxiety disorders

    Directory of Open Access Journals (Sweden)

    Susana De La Ossa

    2009-03-01

    Full Text Available Background: The Zung’s rating instrument for anxiety disorders has been used in several Colombian researches. Its internal consistency and factor structure have not been reported among university students.Objective: To calculate the internal consistency and explore the factor structure of three versions of the Zung’s rating instrument for anxiety disorders among university students.Method: Two-hundred and twenty-one medicine and psychology students of a private university in Cartagena, Colombia, completed the 20-item version of the Zung’s rating instrument for anxiety disorders. The mean of age of students was 20.5 years (SD=2.6, 64.4% were women, and 54.3% studied medicine. Cronbach alpha was computed and exploratory factor analysis was done for the three versions.Results: The 20-item version of the Zung’s rating instrument for anxiety disorders presents Cronbach alpha coefficient of 0.77 and three principal factors accounted for 40.1% of the total variance. The 10-item version showed Cronbach alpha of 0.83 and two-dimensional structure responsible of 54.0% of the total variance. The 5-item version showed Cronbach alpha of 0.74 and one-dimensional structure accounted for 49.5% of the total variance.Conclusions: The 10- and 5-item version of the Zung’s rating instrument for anxiety disorders present better psychometric properties than the original 20-item version. It is necessary to estimate the properties of these versions compared with a gold standard.

  11. Study of internal consistency and factor structure of three versions of the Zung’s rating instrument for anxiety disorders

    Directory of Open Access Journals (Sweden)

    Susana De La Ossa

    2009-12-01

    Full Text Available Background: The Zung’s rating instrument for anxiety disorders has been used in several Colombian researches. Its internal consistency and factor structure have not been reported among university students. Objective: To calculate the internal consistency and explore the factor structure of three versions of the Zung’s rating instrument for anxiety disorders among university students. Method: Two-hundred and twenty-one medicine and psychology students of a private university in Cartagena, Colombia, completed the 20-item version of the Zung’s rating instrument for anxiety disorders. The mean of age of students was 20.5 years (SD=2.6, 64.4% were women, and 54.3% studied medicine. Cronbach alpha was computed and exploratory factor analysis was done for the three versions. Results: The 20-item version of the Zung’s rating instrument for anxiety disorders presents Cronbach alpha coefficient of 0.77 and three principal factors accounted for 40.1% of the total variance. The 10-item version showed Cronbach alpha of 0.83 and two-dimensional structure responsible of 54.0% of the total variance. The 5-item version showed Cronbach alpha of 0.74 and one-dimensional structure accounted for 49.5% of the total variance. Conclusions: The 10- and 5-item version of the Zung’s rating instrument for anxiety disorders present better psychometric properties than the original 20-item version. It is necessary to estimate the properties of these versions compared with a gold standard.

  12. First-Principles Study of Electronic Structure of Type I Hybrid Carbon-Silicon Clathrates

    Science.gov (United States)

    Chan, Kwai S.; Peng, Xihong

    2016-08-01

    A new class of type I hybrid carbon-silicon clathrates has been designed using computational methods by substituting some of the Si atoms in the silicon clathrate framework with carbon atoms. In this work, the electronic structure of hybrid carbon-silicon clathrates with and without alkaline or alkaline-earth metal guest atoms has been computed within the density functional theory framework. The theoretical calculations indicate that a small number of carbon substitutions in the Si46 framework slightly reduces the density of states (DOS) near the band edge and narrows the bandgap of carbon-silicon clathrates. Weak hybridization of the conduction band occurs when alkaline metal (Li, Na, K) atoms are inserted into the structure, while strong hybridization of the conduction band occurs when alkaline-earth metal (Mg, Ca, Ba) atoms are inserted into the hybrid structure. Empty C y Si46- y clathrates within the composition range of 2 ≤ y ≤ 15 can be tuned to exhibit indirect bandgaps of 1.5 eV or less, and may be considered as potential electronic materials.

  13. Social and structural factors associated with consistent condom use among female entertainment workers trading sex in the Philippines.

    Science.gov (United States)

    Urada, Lianne A; Morisky, Donald E; Hernandez, Laufred I; Strathdee, Steffanie A

    2013-02-01

    This paper examined socio-structural factors of consistent condom use among female entertainment workers at high risk for acquiring HIV in Metro Manila, Quezon City, Philippines. Entertainers, aged 18 and over, from 25 establishments (spa/saunas, night clubs, karaoke bars), who traded sex during the previous 6 months, underwent cross-sectional surveys. The 143 entertainers (42% not always using condoms, 58% always using condoms) had median age (23), duration in sex work (7 months), education (9 years), and 29% were married/had live-in boyfriends. In a logistic multiple regression model, social-structural vs. individual factors were associated with inconsistent condom use: being forced/deceived into sex work, less manager contact, less STI/HIV prevention knowledge acquired from medical personnel/professionals, not following a co-workers' condom use advice, and an interaction between establishment type and alcohol use with establishment guests. Interventions should consider the effects of physical (force/deception into work), social (peer, manager influence), and policy (STI/HIV prevention knowledge acquired from medical personnel/professionals) environments on consistent condom use.

  14. Enhancing prospective chemistry teachers cognitive structures in the topics of bonding and hybridization by internet-assisted chemistry applications

    Directory of Open Access Journals (Sweden)

    Özge Özyalçın Oskay, Sinem Dinçol

    2011-08-01

    Full Text Available The purpose of this study is to determine the effects of internet-assisted chemistry applications on prospective chemistry teachers’ cognitive structures in the topics of bonding and hybridization. The sample of the study consisted of 36 prospective chemistry teachers attending Hacettepe University, Faculty of Education, the Department of Chemistry Education in 2010-2011 academic year and taking Basic Chemistry I lesson. In the study, students were separated into experimental and control groups according to their pre-cognitive structures. Students were requested to answer two open ended questions. Answers by each student were gathered and evaluated by flow map method. “Bonding and hybridization” topics were taught to control group with traditional teaching method and to experimental group besides traditional method internet-assisted applications were conducted. The same open-ended questions were given to both groups and their cognitive structures were examined once more. The differences between control and experimental groups’ cognitive structures were examined. A significant difference was identified in favour of experimental group (p<0, 05. The mean score of the Experimental group was X=19.94, and the mean score of the Control group was X=13.88. In addition, subsequent to internet assisted chemistry applications differences in terms of concepts and descriptions in prospective chemistry teachers’ in experimental and control group cognitive structure have been determined. When post flow maps of prospective chemistry teachers in experimental group, on whom internet assisted chemistry applications were made, are formed, it has been determined that there are more statements about hybridization, hybridization types, molecule geometry and bond angles compared to control grou

  15. A Novel Organophosphorus Hybrid with Excellent Thermal Stability: Core-Shell Structure, Hybridization Mechanism, and Application in Flame Retarding Semi-Aromatic Polyamide.

    Science.gov (United States)

    Lin, Xue-Bao; Du, Shuang-Lan; Long, Jia-Wei; Chen, Li; Wang, Yu-Zhong

    2016-01-13

    An organophosphorous hybrid (BM@Al-PPi) with unique core-shell structure was prepared through hybridization reaction between boehmite (BM) as the inorganic substrate and phenylphosphinic acid (PPiA) as the organic modifier. Fourier transform infrared spectra (FTIR), solid state (31)P and (27)Al magic angle spinning nuclear magnetic resonance, X-ray diffraction, and element analysis were used to investigate the chemical structure of the hybrids, where the microrod-like core was confirmed as Al-PPi aggregates generated from the reaction between BM and PPiA, and those irregular nanoparticles in the shell belonged to residual BM. Compared with the traditional dissolution-precipitation process, a novel analogous suspension reaction mode was proposed to explain the hybridization process and the resulting product. Scanning electronic microscopy further proved the core-shell structure of the hybrids. BM exhibited much higher initial decomposition temperature than that of Al-PPi; therefore, the hybrid showed better thermal stability than Al-PPi, and it met the processing temperature of semi-aromatic polyamide (HTN, for instance) as an additive-type flame retardant. Limiting oxygen index and cone calorimetric analysis suggested the excellent flame-retardant performance and smoke suppressing activity by adding the resulting hybrid into HTN.

  16. Structural Synthesis of a Class of 2R2T Hybrid Mechanisms

    Institute of Scientific and Technical Information of China (English)

    TIAN Chunxu; FANG Yuefa; GUO Sheng

    2016-01-01

    Conventional overconstrained parallel manipulators have been widely studied both in industry and academia, however the structural synthesis of hybrid mechanisms with additional constraints is seldom studied, especially for the four degrees of freedom(DOF) hybrid mechanisms. In order to develop a manipulator with additional constraints, a class of important spatial mechanisms with coupling chains(CCs) whose motion type is two rotations and two translations(2R2T) is presented. Based on screw theory, the combination of different types of limbs which are used to construct parallel mechanisms and coupling chains is proposed. The basic types of the general parallel mechanisms and geometric conditions of the kinematic chains are given using constraint synthesis method. Moreover, the 2R2T motion pattern hybrid mechanisms which are derived by adding coupling chains between different serial kinematic chains(SKCs) of the corresponding parallel mechanisms are presented. According to the constraint analysis of the mechanisms, the movement relationship of the moving platform and the kinematic chains is derived by disassembling the coupling chains. At last, fourteen novel hybrid mechanisms with two or three serial kinematic chains are presented. The proposed novel hybrid mechanisms and construction method enrich the family of the spatial mechanisms and provide an instruction to design more complex hybrid mechanisms.

  17. Efficient Hybrid White Organic Light-Emitting Diodes for Application of Triplet Harvesting with Simple Structure

    CERN Document Server

    Hwang, Kyo Min; Lee, Sungkyu; Yoo, Han Kyu; Baek, Hyun Jung; Kim, Jwajin; Yoon, Seung Soo; Kim, Young Kwan

    2016-01-01

    In this study, we fabricated hybrid white organic light-emitting diodes (WOLEDs) based on triplet harvesting with simple structure. All the hole transporting material and host in emitting layer (EML) of devices were utilized with same material by using N,N'-di-1-naphthalenyl-N,N'-diphenyl-[1,1':4',1":4",1"'-quaterphenyl]-4,4"'-diamine (4P-NPD) which were known to be blue fluorescent material. Simple hybrid WOLEDs were fabricated three color with blue fluorescent and green, red phosphorescent materials. We was investigated the effect of triplet harvesting (TH) by exciton generation zone on simple hybrid WOLEDs. Characteristic of simple hybrid WOLEDs were dominant hole mobility, therefore exciton generation zone was expected in EML. Additionally, we was optimization thickness of hole transporting layer and electron transporting layer was fabricated a simple hybrid WOLEDs. Simple hybrid WOLED exhibits maximum luminous efficiency of 29.3 cd/A and maximum external quantum efficiency of 11.2%. Commission Internatio...

  18. Structural synthesis of a class of 2R2T hybrid mechanisms

    Science.gov (United States)

    Tian, Chunxu; Fang, Yuefa; Guo, Sheng

    2016-07-01

    Conventional overconstrained parallel manipulators have been widely studied both in industry and academia, however the structural synthesis of hybrid mechanisms with additional constraints is seldom studied, especially for the four degrees of freedom(DOF) hybrid mechanisms. In order to develop a manipulator with additional constraints, a class of important spatial mechanisms with coupling chains(CCs) whose motion type is two rotations and two translations(2R2T) is presented. Based on screw theory, the combination of different types of limbs which are used to construct parallel mechanisms and coupling chains is proposed. The basic types of the general parallel mechanisms and geometric conditions of the kinematic chains are given using constraint synthesis method. Moreover, the 2R2T motion pattern hybrid mechanisms which are derived by adding coupling chains between different serial kinematic chains(SKCs) of the corresponding parallel mechanisms are presented. According to the constraint analysis of the mechanisms, the movement relationship of the moving platform and the kinematic chains is derived by disassembling the coupling chains. At last, fourteen novel hybrid mechanisms with two or three serial kinematic chains are presented. The proposed novel hybrid mechanisms and construction method enrich the family of the spatial mechanisms and provide an instruction to design more complex hybrid mechanisms.

  19. A Carbon-Sulfur Hybrid with Pomegranate-like Structure for Lithium-Sulfur Batteries.

    Science.gov (United States)

    Shi, Yanting; Lv, Wei; Niu, Shuzhang; He, Yanbing; Zhou, Guangmin; Chen, Guohua; Li, Baohua; Yang, Quan-Hong; Kang, Feiyu

    2016-05-01

    A carbon-sulfur hybrid with pomegranate-like core-shell structure, which demonstrates a high rate performance and relatively high cyclic stability, is obtained through carbonization of a carbon precursor in the presence of a sulfur precursor (FeS2 ) and a following oxidation of FeS2 to sulfur by HNO3 . Such a structure effectively protects the sulfur and leaves enough buffer space after Fe(3+) removal and, at the same time, has an interconnected conductive network. The capacity of the obtained hybrid is 450 mA h g(-1) under the current density of 5 C. This work provides a simple strategy to design and prepare various high-performance carbon-sulfur hybrids for lithium-sulfur batteries.

  20. Fast structural design and analysis via hybrid domain decomposition on massively parallel processors

    Science.gov (United States)

    Farhat, Charbel

    1993-01-01

    A hybrid domain decomposition framework for static, transient and eigen finite element analyses of structural mechanics problems is presented. Its basic ingredients include physical substructuring and /or automatic mesh partitioning, mapping algorithms, 'gluing' approximations for fast design modifications and evaluations, and fast direct and preconditioned iterative solvers for local and interface subproblems. The overall methodology is illustrated with the structural design of a solar viewing payload that is scheduled to fly in March 1993. This payload has been entirely designed and validated by a group of undergraduate students at the University of Colorado using the proposed hybrid domain decomposition approach on a massively parallel processor. Performance results are reported on the CRAY Y-MP/8 and the iPSC-860/64 Touchstone systems, which represent both extreme parallel architectures. The hybrid domain decomposition methodology is shown to outperform leading solution algorithms and to exhibit an excellent parallel scalability.

  1. An Experimental Study on Hybrid Noncompression CF Bracing and GF Sheet Wrapping Reinforcement Method to Restore Damaged RC Structures

    Directory of Open Access Journals (Sweden)

    Kang Seok Lee

    2015-01-01

    Full Text Available We describe a novel technique for restoration of reinforced concrete (RC structures that have sustained damage during an earthquake. The reinforcement scheme described here is a hybrid seismic retrofitting technique that combines noncompression X-bracing using CF with externally bonded GF sheets to strengthen RC structures that have sustained damage following an earthquake. The GF sheet is used to improve the ductility of columns, and the noncompression CF X-bracing system, which consists of CF bracing and anchors to replace the conventional steel bracing and bolt connections, is used to increase the lateral strength of the framing system. We report seismic restoration capacity, which enables reuse of the damaged RC frames via the hybrid CF X-bracing and GF sheet wrapping system. Cyclic loading tests were carried out to investigate hysteresis of the lateral load-drift relations, as well as the ductility. The GF sheet significantly improved the ductility of columns, resulting in a change in failure mode. The strengthening effect of conventional CF sheets used in columns is not sufficient with respect to lateral strength and stiffness. However, this study results in a significant increase in the strength of the structure due to the use of CF X-bracing and inhibited buckling failure of the bracing. This result can be exploited to develop guidelines for the application of the reinforcement system to restore damaged RC structures.

  2. 17.6%-Efficient radial junction solar cells using silicon nano/micro hybrid structures

    Science.gov (United States)

    Lee, Kangmin; Hwang, Inchan; Kim, Namwoo; Choi, Deokjae; Um, Han-Don; Kim, Seungchul; Seo, Kwanyong

    2016-07-01

    We developed a unique nano- and microwire hybrid structure by selectively modifying only the tops of microwires using metal-assisted chemical etching. The proposed nano/micro hybrid structure not only minimizes surface recombination but also absorbs 97% of incident light under AM 1.5G illumination, demonstrating outstanding light absorption compared to that of planar (59%) and microwire arrays (85%). The proposed hybrid solar cells with an area of 1 cm2 exhibit power conversion efficiencies (Eff) of up to 17.6% under AM 1.5G illumination. In particular, the solar cells show a high short-circuit current density (Jsc) of 39.5 mA cm-2 because of the high light-absorbing characteristics of the nanostructures. This corresponds to an approximately 61.5% and 16.5% increase in efficiency compared to that of a planar silicon solar cell (Eff = 10.9%) and a microwire solar cell (Eff = 15.1%), respectively. Therefore, we expect the proposed hybrid structure to become a foundational technology for the development of highly efficient radial junction solar cells.We developed a unique nano- and microwire hybrid structure by selectively modifying only the tops of microwires using metal-assisted chemical etching. The proposed nano/micro hybrid structure not only minimizes surface recombination but also absorbs 97% of incident light under AM 1.5G illumination, demonstrating outstanding light absorption compared to that of planar (59%) and microwire arrays (85%). The proposed hybrid solar cells with an area of 1 cm2 exhibit power conversion efficiencies (Eff) of up to 17.6% under AM 1.5G illumination. In particular, the solar cells show a high short-circuit current density (Jsc) of 39.5 mA cm-2 because of the high light-absorbing characteristics of the nanostructures. This corresponds to an approximately 61.5% and 16.5% increase in efficiency compared to that of a planar silicon solar cell (Eff = 10.9%) and a microwire solar cell (Eff = 15.1%), respectively. Therefore, we expect the

  3. A LINEAR HYBRID MODEL OF MSE AND BEM FOR FLOATING STRUCTURES IN COASTAL ZONES

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jun; MIAO Guo-ping

    2006-01-01

    A linear hybrid model of Mild Slope Equation (MSE) and Boundary Element Method (BEM) is developed to study the wave propagation around floating structures in coastal zones. Both the wave refraction under the influence of topography and the wave diffraction by floating structures are considered. Hence, the model provides wave properties around the coastal floating structures of arbitrary shape but also the wave forces on and the hydrodynamic characteristics of the structures. Different approaches are compared to demonstrate the validity of the present hybrid model. Several numerical tests are carried out for the cases of pontoons under different circumstances. The results show that the influence of topography on the hydrodynamic characteristics of floating structures in coastal regions is important and must not be ignored in the most wave period range with practical interests.

  4. Optimal design of structures for earthquake loads by a hybrid RBF-BPSO method

    Institute of Scientific and Technical Information of China (English)

    Eysa Salajegheh; Saeed Gholizadeh; Mohsen Khatibina

    2008-01-01

    The optimal seismic design of structures requires that time history analyses (THA) be carried out repeatedly. This makes the optimal design process inefficient, in particular, if an evolutionary algorithm is used. To reduce the overall time required for structural optimization, two artificial intelligence strategies are employed. In the first strategy, radial basis function (RBF) neural networks are used to predict the time history responses of structures in the optimization flow. In the second strategy, a binary particle swarm optimization (BPSO) is used to find the optimum design. Combining the RBF and BPSO, a hybrid RBF-BPSO optimization method is proposed in this paper, which achieves fast optimization with high computational performance. Two examples are presented and compared to determine the optimal weight of structures under earthquake loadings using both exact and approximate analyses. The numerical results demonstrate the computational advantages and effectiveness of the proposed hybrid RBF-BPSO optimization method for the seismic design of structures.

  5. A hybrid method for identification of structural domains

    Science.gov (United States)

    Hua, Yongpan; Zhu, Min; Wang, Yuelong; Xie, Zhaoyang; Li, Menglong

    2014-12-01

    Structural domains in proteins are the basic units to form various proteins. In the protein's evolution and functioning, domains play important roles. But the definition of domain is not yet precisely given, and the update cycle of structural domain databases is long. The automatic algorithms identify domains slowly, while protein entities with great structural complexity are on the rise. Here, we present a method which recognizes the compact and modular segments of polypeptide chains to identify structural domains, and contrast some data sets to illuminate their effect. The method combines support vector machine (SVM) with K-means algorithm. It is faster and more stable than most current algorithms and performs better. It also indicates that when proteins are presented as some Alpha-carbon atoms in 3D space, it is feasible to identify structural domains by the spatially structural properties. We have developed a web-server, which would be helpful in identification of structural domains (http://vis.sculab.org/~huayongpan/cgi-bin/domainAssignment.cgi).

  6. Self-consistent QM/MM methodologies for structural refinement of photosystem II and other macromolecules of biological interest

    Energy Technology Data Exchange (ETDEWEB)

    Batista, Enrique R [Los Alamos National Laboratory; Sproviero, Eduardo M [YALE UNIV; Newcomer, Michael [YALE UNIV; Gascon, Jose A [YALE UNIV; Batista, Victor S [YALE UNIV

    2008-01-01

    The combination of quantum mechanics and molecular mechanics (QM/MM) is one of the most promising approaches to study the structure, function, and properties of proteins and nucleic acids. However, there some instances in which the limitations of either the MM (lack of a proper electronic description) or QM (limited to a few number of atoms) methods prevent a proper description of the system. To address this issue, we review here our approach to fine-tune the structure of biological systems using post-QM/MM refinements. These protocols are based on spectroscopy data, and/or partitioning of the system to extend the QM description to a larger region of a protein. We illustrate these methodologies through applications to several biomolecules, which were pre-optimized at the QM/MM level and then further refined using postQM/MM refinement methodologies: mod(QM/MM), which refines the atomic charges of the residues included in the MM region accounting for polarization effects; mod(QM/MM)-opt that partition the MM region in smaller parts and optimizes each part in an iterative. self-consistent way, and the Polarized-Extended X-Ray Absorption Fine Structure (P-EXAFS) fitting procedure, which fine-tune the atomic coordinates to reproduce experimental polarized EXAFS spectra. The first two techniques were applied to the guanine quadruplex. while the P-EXAFS refinement was applied to the oxygen evolving complex of photosystem II.

  7. Plasmon-gating photoluminescence in graphene/GeSi quantum dots hybrid structures

    Science.gov (United States)

    Chen, Yulu; Wu, Qiong; Ma, Yingjie; Liu, Tao; Fan, Yongliang; Yang, Xinju; Zhong, Zhenyang; Xu, Fei; Lu, Jianping; Jiang, Zuimin

    2015-01-01

    The ability to control light-matter interaction is central to several potential applications in lasing, sensing, and communication. Graphene plasmons provide a way of strongly enhancing the interaction and realizing ultrathin optoelectronic devices. Here, we find that photoluminescence (PL) intensities of the graphene/GeSi quantum dots hybrid structures are saturated and quenched under positive and negative voltages at the excitation of 325 nm, respectively. A mechanism called plasmon-gating effect is proposed to reveal the PL dependence of the hybrid structures on the external electric field. On the contrary, the PL intensities at the excitation of 405 and 795 nm of the hybrid structures are quenched due to the charge transfer by tuning the Fermi level of graphene or the blocking of the excitons recombination by excitons separation effect. The results also provide an evidence for the charge transfer mechanism. The plasmon gating effect on the PL provides a new way to control the optical properties of graphene/QD hybrid structures. PMID:26631498

  8. Structure of hybrid organic-inorganic sols for the preparation of hydrothermally stable membranes

    NARCIS (Netherlands)

    Castricum, H.L.; Sah, A.; Geenevasen, J.A.J.; Kreiter, R.; Blank, D.H.A.; Vente, J.F.; ten Elshof, J.E.

    2008-01-01

    A procedure for the preparation of hybrid sols for the synthesis of organic-inorganic microporous materials and thin film membranes is reported. We describe silane reactivity and sol structure for acid-catalysed colloidal sols from mixtures of either tetraethylorthosilicate (TEOS) and methyltriethox

  9. Effect of concrete creep and shrinkage on tall hybrid structures and its countermeasures

    Institute of Scientific and Technical Information of China (English)

    Pusheng SHEN; Hui FANG; Xinhong XIA

    2009-01-01

    This paper aims to study the different vertical displacements in tall hybrid-structures and the corresponding engineering measures. First, the method to calculate the different vertical displacements in tall hybrid-structures is presented. This method takes into account the effects of construction process by applying loads sequentially story by story. Based on the concrete creep and shrinkage calculation formula in American Concrete Institute (ACI)code, with the assumption that loads are increased linearly in members, the creep and shrinkage effects of members are analyzed by adopting two parameters named average load-aged-coefficient and average age-last coefficient. The effects of steel ratio on members creep are analyzed by age-adjusted module method (AEMM). The effects that core-tube were constructed in advance to outer steel frame were also considered. Then, based on the samplecalculation, the measures to effectively reduce the different vertical displacements in hybrid-structures are proposed. This method is simple and practical in the calculation of different vertical displacements in tall and super-tall hybrid-structures.

  10. Probing Structure and Composition of Nickel/Titanium Carbide Hybrid Interfaces at the Atomic Scale (Preprint)

    Science.gov (United States)

    2010-01-01

    The transition in structure and composition across the titanium carbide /nickel hybrid interface has been determined at near atomic resolution by...coupling high-resolution transmission electron microscopy with three-dimensional atom probe tomography. The titanium carbide phase adopts a rocksalt-type

  11. Self-consistent theory for the built-in voltage in metal-organic semiconductor-metal structures

    Energy Technology Data Exchange (ETDEWEB)

    Peng Yingquan, E-mail: yqpeng@lzu.edu.cn [Laboratory of Semiconductor Devices and Engineering, Lanzhou University, Tian-Shui Road, Lanzhou 730000 (China); Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 (China); Meng Weimin [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 (China); Wang Runsheng; Ma Chaozhu; Li Xunshuan; Xie Hongwei; Li Ronghua; Zhao Ming; Yuan Jianting; Wang Ying [Laboratory of Semiconductor Devices and Engineering, Lanzhou University, Tian-Shui Road, Lanzhou 730000 (China)

    2009-06-30

    A self-consistent theory for calculation of built-in voltage (U{sub bi}) of metal-organic semiconductor-metal (MOSM) structures is developed based on Gaussian energy distribution of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO). It is shown that the built-in voltage depends not only on the work function difference of the two electrodes, but also on the mean energy level of HOMO and LUMO, as well as the Gaussian width of the energy distribution. The theory predicts that the spreading of HOMO and LUMO levels will results in an increase of U{sub bi}, and that U{sub bi} decreases with increasing temperature.

  12. Quasiparticle self-consistent GW study of cuprates: electronic structure, model parameters, and the two-band theory for Tc.

    Science.gov (United States)

    Jang, Seung Woo; Kotani, Takao; Kino, Hiori; Kuroki, Kazuhiko; Han, Myung Joon

    2015-07-24

    Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent GW method, we re-examine the electronic structure of copper oxide high-Tc materials. We show that QSGW captures several important features, distinctive from the conventional LDA results. The energy level splitting between d(x(2)-y(2)) and d(3z(2)-r(2)) is significantly enlarged and the van Hove singularity point is lowered. The calculated results compare better than LDA with recent experimental results from resonant inelastic xray scattering and angle resolved photoemission experiments. This agreement with the experiments supports the previously suggested two-band theory for the material dependence of the superconducting transition temperature, Tc.

  13. Generalization of Rosenfeld's functional to non-additive hard-spheres: pair structure and test-particle consistency.

    Science.gov (United States)

    Ayadim, A; Amokrane, S

    2010-01-27

    The accuracy of the structural data obtained from the recently proposed generalization to non-additive hard-spheres (Schmidt 2004 J. Phys.: Condens. Matter 16 L351) of Rosenfeld's functional is investigated. The radial distribution functions computed from the direct correlation functions generated by the functional, through the Ornstein-Zernike equations, are compared with those obtained from the density profile equations in the test-particle limit, without and with test-particle consistency. The differences between these routes and the role of the optimization of the parameters of the reference system when the functional is used to obtain the reference bridge functional are discussed in the case of symmetric binary mixtures of non-additive hard-spheres. The case of highly asymmetric mixtures is finally briefly discussed.

  14. Uncertainty analysis of practical structural health monitoring systems currently employed for tall buildings consisting of small number of sensors

    Science.gov (United States)

    Hirai, Kenta; Mita, Akira

    2016-04-01

    Because of social background, such as repeated large earthquakes and cheating in design and construction, structural health monitoring (SHM) systems are getting strong attention. The SHM systems are in a practical phase. An SHM system consisting of small number of sensors has been introduced to 6 tall buildings in Shinjuku area. Including them, there are 2 major issues in the SHM systems consisting of small number of sensors. First, optimal system number of sensors and the location are not well-defined. In the practice, system placement is determined based on rough prediction and experience. Second, there are some uncertainties in estimation results by the SHM systems. Thus, the purpose of this research is to provide useful information for increasing reliability of SHM system and to improve estimation results based on uncertainty analysis of the SHM systems. The important damage index used here is the inter-story drift angle. The uncertainty considered here are number of sensors, earthquake motion characteristics, noise in data, error between numerical model and real building, nonlinearity of parameter. Then I have analyzed influence of each factor to estimation accuracy. The analysis conducted here will help to decide sensor system design considering valance of cost and accuracy. Because of constraint on the number of sensors, estimation results by the SHM system has tendency to provide smaller values. To overcome this problem, a compensation algorithm was discussed and presented. The usefulness of this compensation method was demonstrated for 40 story S and RC building models with nonlinear response.

  15. Hybrid FDTD Analysis for Periodic On-Chip Terahertz (THZ) Structures

    Energy Technology Data Exchange (ETDEWEB)

    Hussein, Yasser A.; Spencer, James E.; /SLAC

    2005-06-07

    We present electromagnetic analysis and radiation efficiency calculations for on-chip terahertz (THz) structures based on a hybrid, finite-difference, time-domain (HFDTD) technique. The method employs the FDTD technique to calculate S-parameters for one cell of a periodic structure. The transmission ABCD matrix is then estimated and multiplied by itself n times to obtain the n-cell periodic structure ABCD parameters that are then converted back to S-parameters. Validation of the method is carried out by comparing the results of the hybrid technique with FDTD calculations of the entire periodic structure as well as with HFSS which all agree quite well. This procedure reduces the CPU-time and allows efficient design and optimization of periodic THz radiation sources. Future research will involve coupling of Maxwell's equations with a more detailed, physics-based transport model for higher-order effects.

  16. Analysis of Non-Conventional Hybrid MOSFET Structure for Gate Leakage Current

    Directory of Open Access Journals (Sweden)

    RANA Ashwani K.

    2011-10-01

    Full Text Available A non-conventional hybrid MOSFET (HMOSstructure has been proposed to reduce the gate leakagecurrent. This non-conventional hybrid MOSFET consistsof source/drain-to-gate non-overlap region and high-kgate stack. The gate leakage behaviour of HMOS hasbeen investigated with the help of compact analyticalmodel, which is backed by Sentaurus Simulation. Ourmodel sustains a very good agreement between the modeland TCAD result. It is found that HMOS structure hasreduced the gate leakage current to great extent ascompared to conventional overlapped MOSFETstructure.

  17. A HYBRID GRANULARITY PARALLEL ALGORITHM FOR PRECISE INTEGRATION OF STRUCTURAL DYNAMIC RESPONSES

    Institute of Scientific and Technical Information of China (English)

    Yuanyin Li; Xianlong Jin; Genguo Li

    2008-01-01

    Precise integration methods to solve structural dynamic responses and the corre-sponding time integration formula are composed of two parts: the multiplication of an exponential matrix with a vector and the integration term. The second term can be solved by the series solu-tion. Two hybrid granularity parallel algorithms are designed, that is, the exponential matrix and the first term are computed by the fine-grained parallel algorithm and the second term is com-puted by the coarse-grained parallel algorithm. Numerical examples show that these two hybrid granularity parallel algorithms obtain higher speedup and parallel efficiency than two existing parallel algorithms.

  18. Rechargeable Mg battery cathode TiS3 with d-p orbital hybridized electronic structures

    Science.gov (United States)

    Taniguchi, Kouji; Gu, Yunpeng; Katsura, Yukari; Yoshino, Takafumi; Takagi, Hidenori

    2016-01-01

    Rechargeable performance is realized in Mg batteries using a TiS3 cathode without the nanometer-scale downsizing of electrode particles. The specific capacity is about 80 mAh/g for the first 50 cycles at room temperature. This observed specific capacity is comparable to that of the prototype cathode for Mg batteries. First-principles calculation indicates that TiS3 is a semiconductor with d-p orbital hybridized electronic structures around the Fermi level. The reversible electrode performance is likely assisted by the delocalized electronic distribution over metal-ligand units through d-p orbital hybridization.

  19. Enantioselective Catalysis by Using Short, Structurally Defined DNA Hairpins as Scaffold for Hybrid Catalysts.

    Science.gov (United States)

    Marek, Jasmin J; Singh, Raghvendra P; Heuer, Andreas; Hennecke, Ulrich

    2017-05-02

    A new type of DNA metal complex hybrid catalyst, which is based on single-stranded DNA oligonucleotides, is described. It was shown that oligonucleotides as short as 14 nucleotides that fold into hairpin structures are suitable as nucleic acid components for DNA hybrid catalysts. With these catalysts, excellent enantioinduction in asymmetric Diels-Alder reactions with selectivity values as high as 96 % enantiomeric excess (ee) can be achieved. Molecular dynamics simulations indicate that a rather flexible loop combined with a rigid stem region provides DNA scaffolds with these high selectivity values. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Preparation of Magnetic Hybrid Microspheres with Well-Defined Yolk-Shell Structure

    Directory of Open Access Journals (Sweden)

    Yuan Zhao

    2016-01-01

    Full Text Available A facile and efficient route was reported to prepare a kind of yolk-shell magnetic hybrid microspheres by suspension polymerization and calcinations method. The morphology, structure, and composition of the magnetic microspheres were characterized by FTIR, XRD, TEM, SEM, and TGA analysis. The vibrating-sample magnetometry (VSM results clearly showed that the magnetic particles were superparamagnetic with saturation magnetization of 32.82 emu/g which makes the microcomposites easily controlled by an external magnetic field. The results revealed that the magnetic hybrid microspheres might have important applications in magnetic bioseparation and drug delivery.

  1. Polarization dependence of the metamagnetic resonance of cut-wire-pair structure by using plasmon hybridization

    Energy Technology Data Exchange (ETDEWEB)

    Dung, Nguyen Van; Yoo, Young Joon; Lee, Young Pak [Hanyang University, Seoul (Korea, Republic of); Tung, Nguyen Thanh [KU Leuven, Leuven (Belgium); Tung, Bui Son; Lam, Vu Dinh [Vietnam Academy of Science and Technology, Hanoi (Viet Nam)

    2014-07-15

    The influence of lattice constants on the electromagnetic behavior of a cut-wire-pair (CWP) structure has been elucidated. In this report, we performed both simulations and experiments to determine the influence of polarization on the metamagnetic resonance of the CWP structure. The key finding is the result of an investigation on the plasmon hybridization between the two CWs, which showed that the polarization of the incident wave was affected. Good agreement between numerical simulation and measurement is achieved.

  2. A Hybrid Finite Element-Fourier Spectral Method for Vibration Analysis of Structures with Elastic Boundary Conditions

    Directory of Open Access Journals (Sweden)

    Wan-You Li

    2014-01-01

    Full Text Available A novel hybrid method, which simultaneously possesses the efficiency of Fourier spectral method (FSM and the applicability of the finite element method (FEM, is presented for the vibration analysis of structures with elastic boundary conditions. The FSM, as one type of analytical approaches with excellent convergence and accuracy, is mainly limited to problems with relatively regular geometry. The purpose of the current study is to extend the FSM to problems with irregular geometry via the FEM and attempt to take full advantage of the FSM and the conventional FEM for structural vibration problems. The computational domain of general shape is divided into several subdomains firstly, some of which are represented by the FSM while the rest by the FEM. Then, fictitious springs are introduced for connecting these subdomains. Sufficient details are given to describe the development of such a hybrid method. Numerical examples of a one-dimensional Euler-Bernoulli beam and a two-dimensional rectangular plate show that the present method has good accuracy and efficiency. Further, one irregular-shaped plate which consists of one rectangular plate and one semi-circular plate also demonstrates the capability of the present method applied to irregular structures.

  3. Improving hybrid statistical and physical forcefields through local structure enumeration.

    Science.gov (United States)

    Conway, Patrick; DiMaio, Frank

    2016-08-01

    Forcefields used in biomolecular simulations are comprised of energetic terms that are physical in nature, based on parameter fitting to quantum mechanical simulation or experimental data, or statistical, drawing off high-resolution structural data to describe distributions of molecular features. Combining the two in a single forcefield is challenging, since physical terms describe some, but not all, of the observed statistics, leading to double counting. In this manuscript, we develop a general scheme for correcting statistical potentials used in combination with physical terms. We apply these corrections to the sidechain torsional potential used in the Rosetta all-atom forcefield. We show the approach identifies instances of double-counted interactions, including electrostatic interactions between sidechain and nearby backbone, and steric interactions between neighboring Cβ atoms within secondary structural elements. Moreover, this scheme allows for the inclusion of intraresidue physical terms, previously turned off to avoid overlap with the statistical potential. Combined, these corrections lead to a forcefield with improved performance on several structure prediction tasks, including rotamer prediction and native structure discrimination.

  4. Enhanced hybrid search algorithm for protein structure prediction using the 3D-HP lattice model.

    Science.gov (United States)

    Zhou, Changjun; Hou, Caixia; Zhang, Qiang; Wei, Xiaopeng

    2013-09-01

    The problem of protein structure prediction in the hydrophobic-polar (HP) lattice model is the prediction of protein tertiary structure. This problem is usually referred to as the protein folding problem. This paper presents a method for the application of an enhanced hybrid search algorithm to the problem of protein folding prediction, using the three dimensional (3D) HP lattice model. The enhanced hybrid search algorithm is a combination of the particle swarm optimizer (PSO) and tabu search (TS) algorithms. Since the PSO algorithm entraps local minimum in later evolution extremely easily, we combined PSO with the TS algorithm, which has properties of global optimization. Since the technologies of crossover and mutation are applied many times to PSO and TS algorithms, so enhanced hybrid search algorithm is called the MCMPSO-TS (multiple crossover and mutation PSO-TS) algorithm. Experimental results show that the MCMPSO-TS algorithm can find the best solutions so far for the listed benchmarks, which will help comparison with any future paper approach. Moreover, real protein sequences and Fibonacci sequences are verified in the 3D HP lattice model for the first time. Compared with the previous evolutionary algorithms, the new hybrid search algorithm is novel, and can be used effectively to predict 3D protein folding structure. With continuous development and changes in amino acids sequences, the new algorithm will also make a contribution to the study of new protein sequences.

  5. Different proportions of C/KCu7S4 hybrid structure for high-performance supercapacitors

    Science.gov (United States)

    Dai, Shuge; Xi, Yi; Hu, Chenguo; Yue, Xule; Cheng, Lu; Wang, Guo

    2014-10-01

    KCu7S4 has the channel structure and minor resistance. Its double larger channels ensure that the ions can well exchange with other's, at the same time, can shorten the ionic diffusion path and improve the ionic and electronic transport. So KCu7S4 shows good electrochemical property. The paper reports a novel and high performance supercapacitor based on hybrid carbon particles and KCu7S4 (C/KCu7S4) electrode. For the hybrid structure with different proportions of C and KCu7S4, the C/KCu7S4 (1:10) hybrid supercapacitor shows preferable electrochemical performance and large specific capacitance (469 mF cm-2) at high charge-discharge rate (2 mA), still retaining ∼95% of the capacitance over 5000 cycles by charge-discharge process at a fixed current of 10 mA. Three supercapacitor units in series can light 50 light-emitting diodes (LEDs) for 2.5 min, 10 LEDs for 4 min, one LED for 5.5 min. The much-increased capacity, rate capability, and cycling stability may be attributed to the superionic conductive KCu7S4 nanowires and C/KCu7S4 hybrid structure, which improve ionic and electronic transport, enhance the kinetics of redox reactions through the electrode system.

  6. Hybrid density functional study of the structural, bonding, and electronic properties of bismuth vanadate

    Science.gov (United States)

    Kweon, Kyoung E.; Hwang, Gyeong S.

    2012-10-01

    The structure and property prediction of metal oxides can significantly be improved by incorporating exact Hartree-Fock (HF) exchange into density functional theory (DFT), which is the so-called hybrid DFT. We explored the impact of HF exchange inclusion on the predicted structural, bonding, and electronic properties of bismuth vanadate (BiVO4), with particular attention to the difference between its monoclinic and tetragonal scheelite phases. The applied exchange-correlation (xc) functionals include the gradient corrected Perdew-Burke-Ernzerhof (PBE) and the PBE-HF hybrid functionals with HF exchange amounts of 10%, 25%, and 50%. We find that the PBE-HF25% yields a monoclinic structure in very close agreement with the experimentally determined structure, while the PBE-HF50% tends to overestimate the monoclinic distortion and the PBE/PBE-HF10% can hardly identify a distinct monoclinic configuration at ambient conditions. Electronic structure analysis reveals that the increasing monoclinic distortion with the amount of HF exchange is related to the enhancement of hybridization between Bi 6s-O 2p antibonding states and unoccupied Bi 6p states. The bonding mechanisms and band structures of the monoclinic and tetragonal phases of BiVO4 were also investigated, and we discuss how the predictions are sensitive to the xc functional choice.

  7. A Description of Sub-Equatorial Volcanic Structures Consistent with Sub-Ice Magmatism East of Nepenthes Mensae, Mars.

    Science.gov (United States)

    Caprarelli, G.; de Pablo Hernandez, M. A.

    2014-12-01

    The Martian region located immediately north of the dichotomy scarp, between latitudes 120°E and 135°E, is covered by fretted terrains, characterised by the presence of knobs and mesas formed by eroded and reworked material of highlands provenance, and the smoother terrains between them [1]. Topographic depressions of oblong shape, generally parallel to the scarp, of rough and chaotic appearance, are also observed. The high resolution (~ 6 m/pixel, [2]) Context Camera (CTX) on board Mars Reconnaissance Orbiter (MRO) makes it possible to examine the morphologies of these topographic depressions in great detail, unveiling their complex geological histories. Here we expand on our earlier work in the adjacent Nepenthes Mensae region [3] and present the results of our observations of morphologies of likely igneous origin. We identified a variety of shapes consistent with magmatic structures and constructs: dikes, collapsed lava tubes, and lava flows are observable in the smoother terrains. Most of the elevated structures in the areas are strongly eroded knobs and mesas covered by dust and debris. In some cases however, the morphological characteristics of 2-10 km-size structures are clear and sharp, which allowed us to identify features consistent with sub-ice volcanic constructs, such as tuyas and tindars [4]. Geological reconstructions involving magma-ice interaction are supported by the presence of lobate aprons around knobs and mesas, and of scalloped ejecta surrounding complex impact craters, suggesting the existence of ice both underground and on the surface of these low elevation areas at the time of formation of these constructs. [1] Tanaka et al. (2005) Geologic Map of the Northern Plains of Mars. USGS SIM 2888. [2] Malin et al. (2007) Context Camera investigation on board the Mars Reconnaissance Orbiter. JGR 112, E05S04, 10.1029/2006JE002808. [3] dePablo and Caprarelli (2010) Possible subglacial volcanoes in Nepenthes Mensae, eastern hemisphere, Mars. LPSC

  8. Proton Conduction in Sulfonated Organic-Inorganic Hybrid Monoliths with Hierarchical Pore Structure.

    Science.gov (United States)

    von der Lehr, Martin; Seidler, Christopher F; Taffa, Dereje H; Wark, Michael; Smarsly, Bernd M; Marschall, Roland

    2016-09-28

    Porous organic-inorganic hybrid monoliths with hierarchical porosity exhibiting macro- and mesopores are prepared via sol-gel process under variation of the mesopore size. Organic moieties in the pore walls are incorporated by substituting up to 10% of the silicon precursor tetramethylorthosilicate with bisilylated benzene molecules. After functionalization with sulfonic acid groups, the resulting sulfonated hybrid monoliths featuring a bimodal pore structure are investigated regarding proton conduction depending on temperature and relative humidity. The hierarchical pore system and controlled mesopore design turn out to be crucial for sulfonation and proton conduction. These sulfonated hybrid hierarchical monoliths containing only 10% organic precursor exhibit higher proton conduction at different relative humidities than sulfonated periodic mesoporous organosilica made of 100% bisilylated precursors exhibiting solely mesopores, even with a lower concentration of sulfonic acid groups.

  9. SYNTHESIS AND CHARACTERIZATION OF STRUCTURALLY WELL-DEFINED POLYMER-INORGANIC HYBRID NANOPARTICLES VIA ATRP

    Institute of Scientific and Technical Information of China (English)

    Jie Bai; Jie-bin Pang; Kun-yuan Qiu; Yen Wei

    2002-01-01

    Atom transfer radical polymerization (ATRP) using cuprous chloride/2,2'-bipyridine (bipy) was applied to graft polymerization of styrene on the surface of silica nanoparticles to synthesize polymer-inorganic hybrid nanoparticles. 2-(4-Chloromethylphenyl) ethyltriethoxysilane (CTES) was immobilized on the surface of silica nanoparticles through condensation reaction of the silanol groups on silica with triethoxysilane group of CTES. Then ATRP of St was initiated by this surface-modified silica nanoparticles bearing benzyl chloride groups, and formed PSt graft chains on the surface of silica nanoparticles. The thickness of the graft chains increased with reaction time. End group analysis confirmed the occurrence of ATRP. Thermal analysis indicated that thermal stabilization of these resulting hybrid nanoparticles also increases with polymerization conversion. The results above show that this "grafting from" reaction could be used for the preparation of polymer-inorganic hybrid nanoparticles with controlled structure of the polymer's end groups.

  10. Electronic Structure Rearrangements in Hybrid Ribozyme/Protein Catalysis

    Science.gov (United States)

    Kang, Jiyoung; Kino, Hiori; Field, Martin J.; Tateno, Masaru

    2017-04-01

    We analyzed the electronic structural changes that occur in the reaction cycle of a biological catalyst composed of RNA and protein, and elucidated the dynamical rearrangements of the electronic structure that was obtained from our previous study in which ab initio quantum mechanics/molecular mechanics molecular dynamics simulations were performed. Notable results that we obtained include the generation of a reactive HOMO that is responsible for bond formation in the initial stages of the reaction, and the appearance of a reactive LUMO that is involved in the bond rupture that leads to products. We denote these changes as dynamical induction of the reactive HOMO (DIRH) and LUMO (DIRL), respectively. Interestingly, we also find that the induction of the reactive HOMO is enhanced by the formation of a low-barrier hydrogen bond (LBHB), which, to the best of our knowledge, represents a novel role for LBHBs in enzymatic systems.

  11. Enhanced Structural, Thermal, and Electrical Properties of Multiwalled Carbon Nanotubes Hybridized with Silver Nanoparticles

    Directory of Open Access Journals (Sweden)

    Yusliza Yusof

    2016-01-01

    Full Text Available The objective of this study is to evaluate the structural, thermal, and electrical properties of multiwalled carbon nanotubes (MWNT hybridized with silver nanoparticles (AgNP obtained via chemical reduction of aqueous silver salt assisted with sodium dodecyl sulphate (SDS as stabilizing agent. Transmission electron microscopy (TEM reveals microstructural analysis of the MWNT-Ag hybrids. The Fourier transform infrared (FTIR spectra prove the interactions between the AgNP and carboxyl groups of the MWNT. Raman spectra reveal that the D- to G-band intensity ratios ID/IG and ID′/IG increase upon the deposition of AgNP onto the surface of the MWNT. Thermogravimetric analysis (TGA shows that the MWNT-Ag hybrids decompose at a much faster rate and the weight loss decreased considerably due to the presence of AgNP. Nonlinearity of current-voltage (I-V curves indicates that electrical transport of pristine MWNT is enhanced when AgNP is induced as charge carriers in the MWNT-Ag hybrids. The threshold voltage Vth value for the MWNT doped with a maximum of 70 vol% of AgNP was substantially reduced by 65% relative to the pristine MWNT. The MWNT-Ag hybrids have a favourable electrical characteristic with a low threshold voltage that shows enhancement mode for field-effect transistor (FET applications.

  12. Structural Organization of Enzymes of the Phenylacetate Catabolic Hybrid Pathway

    OpenAIRE

    Grishin, Andrey M.; Miroslaw Cygler

    2015-01-01

    Aromatic compounds are the second most abundant class of molecules on the earth and frequent environmental pollutants. They are difficult to metabolize due to an inert chemical structure, and of all living organisms, only microbes have evolved biochemical pathways that can open an aromatic ring and catabolize thus formed organic molecules. In bacterial genomes, the phenylacetate (PA) utilization pathway is abundant and represents the central route for degradation of a variety of organic compo...

  13. Interface Consistency

    DEFF Research Database (Denmark)

    Staunstrup, Jørgen

    1998-01-01

    This paper proposes that Interface Consistency is an important issue for the development of modular designs. Byproviding a precise specification of component interfaces it becomes possible to check that separately developedcomponents use a common interface in a coherent matter thus avoiding a very...... significant source of design errors. Awide range of interface specifications are possible, the simplest form is a syntactical check of parameter types.However, today it is possible to do more sophisticated forms involving semantic checks....

  14. Hybrid 3D structure of poly(d,l-lactic acid) loaded with chitosan/chondroitin sulfate nanoparticles to be used as carriers for biomacromolecules in tissue engineering

    OpenAIRE

    Santo, Vítor E.; Duarte, Ana Rita C.; Gomes, Manuela E.; Mano, João F.; Rui L Reis

    2010-01-01

    In the tissue engineering (TE) field, the concept of producing multifunctional scaffolds, capable not only of acting as templates for cell transplantation but also of delivering bioactive agents in a controlled manner, is an emerging strategy aimed to enhance tissue regeneration. In this work, a complex hybrid release system consisting in a three-dimensional (3D) structure based on poly(d,l-lactic acid) (PDLLA) impregnated with chitosan/chondroitin sulfate nanoparticles (NPs) was ...

  15. Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.

    Science.gov (United States)

    Brandenburg, Jan Gerit; Caldeweyher, Eike; Grimme, Stefan

    2016-06-21

    We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 054107] by a screened Fock exchange variant based on the Henderson-Janesko-Scuseria exchange hole model. While the excellent performance of the global hybrid is maintained for small covalently bound molecules, its performance for computed condensed phase mass densities is further improved. Most importantly, a speed up of 30 to 50% can be achieved and especially for small orbital energy gap cases, the method is numerically much more robust. The latter point is important for many applications, e.g., for metal-organic frameworks, organic semiconductors, or protein structures. This enables an accurate density functional based electronic structure calculation of a full DNA helix structure on a single core desktop computer which is presented as an example in addition to comprehensive benchmark results.

  16. Quasi-Static Single-Component Hybrid Simulation of a Composite Structure with Multi-Axis Control

    DEFF Research Database (Denmark)

    Høgh, J.; Waldbjørn, J.; Wittrup-Schmidt, J.

    2015-01-01

    This paper presents a quasi-static hybrid simulation performed on a single component structure. Hybrid simulation is a substructural technique, where a structure is divided into two sections: a numerical section of the main structure and a physical experiment of the remainder. In previous cases...... to evaluate the validity of the method, the results are compared to a test of the emulated structure – referred to here as the reference test. It was found that the error introduced by compliance in the load train was significant. Digital image correlation was for this reason implemented in the hybrid...

  17. Hybrid Direct Write Lithographic Strategies for Complex Hierarchical Structures

    Science.gov (United States)

    Singer, Jonathan P.

    With the number of alternative lithographic techniques for high resolution and 3D patterning rapidly increasing, there is a need to identify a set of scalable techniques which balances the ability to arbitrarily control every detail of a target pattern and to produce these complex patterns at a high rate. It is in this way that metamaterial devices put forward on a lab scale for applications such as phononics, photonics, and plasmonics can be realized in the industrial scale. This thesis, in approaching this challenge, utilizes combinations of patterning techniques, leveraging the ability for "large" scale alternative lithographic techniques, such as interference lithography or self-assembly, to create the same nanostructured morphology over a large area combined with laser direct write. The process of drawing a single line or isolated voxel can result in a hierarchical pattern defined by the latent motif of the larger-scale technique. The net resuh is to shift the burden of high resolution patterning from the direct write to the large scale technique, effectively decoupling the correlation between the level of detail and the patterning speed and control. More specifically, the following combinations with laser direct writing were investigated: (1) proximity field nanopatterning for the predefinition of diffraction-order-defined 3D resonators which were applied as "stand-up" plasmodic microresonators, (2) dewetting to conduct development-free 2D patterning of isolated sub-micron lines, and, via overlap effects, nanoscale ( <1 00 nm) gratings, (3) block copolymer self-assembly to initiate the simultaneous annealing and alignment of near-equilibrium microdomains from a metastable starting morphology, and (4) interference lithography to fabricate 3D sub-micron periodic and quasiperiodic hierarchical structures with controllable positioning and tunable fill fraction that has potential for applications to microphotonics. In conjunction with the experimental components

  18. Dynamic Behavior of Hybrid APM (Advanced Pore Morphology Foam and Aluminum Foam Filled Structures

    Directory of Open Access Journals (Sweden)

    Joerg Weise

    2012-06-01

    Full Text Available The aim of this work is to evaluate the effect of different densities of hybrid aluminum polymer foam on the frequency behavior of a foam filled steel structure with different ratios between steel and foam masses. The foam filled structure is composed of three steel tubes with a welded flange at both ends bolted together to form a portal grounded by its free ends. Structure, internal and ground constraints have been designed and manufactured in order to minimize nonlinear effects and to guarantee optimal constraint conditions. Mode shapes and frequencies were verified with finite elements models (FEM to be in the range of experimental modal analysis, considering the frequency measurement range limits for instrumented hammer and accelerometer. Selected modes have been identified with suitable modal parameters extraction techniques. Each structure has been tested before and after filling, in order to compute the percentage variation of modal parameters. Two different densities of hybrid aluminum polymer foam have been tested and compared with structures filled with aluminum foams produced using the powder compact melting technique. All the foam fillings were able to suppress high frequency membrane modes which results in a reduction of environmental noise and an increase in performance of the components. Low frequency modes show an increase in damping ratio only when small thickness steel frames are filled with either Hybrid APM or Alulight foam.

  19. Solid consistency

    Science.gov (United States)

    Bordin, Lorenzo; Creminelli, Paolo; Mirbabayi, Mehrdad; Noreña, Jorge

    2017-03-01

    We argue that isotropic scalar fluctuations in solid inflation are adiabatic in the super-horizon limit. During the solid phase this adiabatic mode has peculiar features: constant energy-density slices and comoving slices do not coincide, and their curvatures, parameterized respectively by ζ and Script R, both evolve in time. The existence of this adiabatic mode implies that Maldacena's squeezed limit consistency relation holds after angular average over the long mode. The correlation functions of a long-wavelength spherical scalar mode with several short scalar or tensor modes is fixed by the scaling behavior of the correlators of short modes, independently of the solid inflation action or dynamics of reheating.

  20. Subgap transport in silicene-based superconducting hybrid structures

    Science.gov (United States)

    Li, Hai

    2016-08-01

    We investigate the influences of exchange field and perpendicular electric field on the subgap transport in silicene-based ferromagnetic/superconducting (FS) and ferromagnetic/superconducting/ferromagnetic (FSF) junctions. Owing to the unique buckling structure of silicene, the Andreev reflection and subgap conductance can be effectively modulated by a perpendicular electric field. It is revealed that the subgap conductance in the FS junction can be distinctly enhanced by an exchange field. Remarkably, resorting to the tunable band gap of silicene, an exclusive crossed Andreev reflection (CAR) process in the FSF junction can be realized within a wide range of related parameters. Moreover, in the FSF junction the exclusive CAR and exclusive elastic cotunneling processes can be switched by reversing the magnetization direction in one of the ferromagnetic regions.

  1. Electronic structure of PrBa2Cu3O7 within LSDA+U: Different self-consistent solutions

    Directory of Open Access Journals (Sweden)

    M R Mohammadizadeh

    2009-08-01

    Full Text Available  Based on the density functional theory and using the full-potential linearized augmented-plane-waves method the electronic structure of PrBa2Cu3O7 (Pr123 system was calculated. The rotationally invariant local spin density approximation plus Hubbard parameter U was employed for Pr(4f orbitals. One self-consistent solution more stable than the previous solution, which has been proposed by Liechtenstein and Mazin (LM, was found. In contrast to the LM solution, it can explain the results of the 17O NMR spectroscopy study of nonsuperconducting Pr123 samples. This new solution favors the suggestion that the pure Pr123 samples should be intrinsically superconductor and metal similar to the other RBa2Cu3O7 (R=Y or a rare earth element samples. The imperfections cause the superconducting holes are transferred to the nonsuperconducting hole states around the high-symmetry (π/a, π/b, kz line in the Brillouin zone and so, superconductivity is suppressed in the conventional samples. It predicts that the superconducting 2pσ holes in the O2 sites of nonsuperconducting Pr123 samples should be depleted and the ones in the O3 sites should be almost unchanged .

  2. Does the early social environment affect structure and consistency of personality in wild-type male's rat?

    Science.gov (United States)

    Gracceva, Giulia; Koolhaas, Jaap M; Groothuis, Ton G G

    2011-09-01

    Animal personality has been extensively studied from a functional and evolutionary point of view. Less attention has been paid to the development of personality, its phenotypic plasticity, and the influence of manipulation of early environmental factors. Here we describe the effects of manipulating the sex ratio of the litter, at postnatal day (pnd) 3, in wild-type rats, on personality traits in adulthood. We measured the treatment effects on aggression, defensive burying, and open field behavior at pnd 90 and 120, as well as on their contextual generality, and stability over time (differential and structural consistency). Main effects of litter composition were found on open field behavior at pnd 120 but not on the other behaviors. Since correlations between behaviors changed over time irrespective of the specific treatment, whereas in previous studies on unmanipulated litters this was not the case we suggest that early handling may disrupt adult personality traits. Overall the data indicate that personality is less stable over time that often assumed, having both proximate and ultimate implications.

  3. Exploring a Lead-free Semiconducting Hybrid Ferroelectric with a Zero-Dimensional Perovskite-like Structure.

    Science.gov (United States)

    Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Ji, Chengmin; Khan, Tariq; Li, Lina; Hong, Maochun; Luo, Junhua

    2016-09-19

    Perovskite lead halides (CH3 NH3 PbI3 ) have recently taken a promising position in photovoltaics and optoelectronics because of remarkable semiconducting properties and possible ferroelectricity. However, the potential toxicity of lead arouses great environmental concern for widespread application. A new chemically tailored lead-free semiconducting hybrid ferroelectric is reported, N-methylpyrrolidinium)3 Sb2 Br9 (1), which consists of a zero-dimensional (0-D) perovskite-like anionic framework connected by corner- sharing SbBr6 coordinated octahedra. It presents a large ferroelectric spontaneous polarization of approximately 7.6 μC cm(-2) , as well as notable semiconducting properties, including positive temperature-dependent conductivity and ultraviolet-sensitive photoconductivity. Theoretical analysis of electronic structure and energy gap discloses a dominant contribution of the 0-D perovskite-like structure to the semiconducting properties of the material. This finding throws light on the rational design of new perovskite-like hybrids, especially lead-free semiconducting ferroelectrics.

  4. Driving electrocatalytic activity by interface electronic structure control in a metalloprotein hybrid catalyst for efficient hydrogen evolution.

    Science.gov (United States)

    Behera, Sushant Kumar; Deb, Pritam; Ghosh, Arghya

    2016-08-17

    The rational design of metalloprotein hybrid structures and precise calculations for understanding the role of the interfacial electronic structure in regulating the HER activity of water splitting sites and their microscopic effect for obtaining robust hydrogen evolution possess great promise for developing highly efficient nano-bio hybrid HER catalysts. Here, we employ high-accuracy linear-scaling density functional theory calculations using a near-complete basis set and a minimal parameter implicit solvent model within the self-consistent calculations, on silver (Ag) ions assimilated on bacteriorhodopsin (bR) at specific binding sites. Geometry optimization indicates the formation of active sites at the interface of the metalloprotein complex and the density of states reflects the metallic nature of the active sites. The reduced value of the canonical orbital gap indicates the state of dynamic nature after Ag ion assimilation on active sites and smooth electron transfer. These incorporated active protein sites are more efficient in electrolytic splitting of water than pristine sites due to their low value of Gibbs free energy for the HER in terms of hydrogen coverages. Volcano plot analysis and the free energy diagram are compared for understanding the hydrogen evolution efficiency. Moreover, the essential role of the interfacial electronic properties in regulating the HER catalytic activity of water splitting sites and enhancing the efficiency is elucidated.

  5. Formation and transport of entropy structures in the magnetotail simulated with a 3-D global hybrid code

    Science.gov (United States)

    Lin, Y.; Wing, S.; Johnson, J. R.; Wang, X. Y.; Perez, J. D.; Cheng, L.

    2017-06-01

    Global structure and evolution of flux tube entropy S, integrated over closed field lines, associated with magnetic reconnection in the magnetotail are investigated using the AuburN Global hybrId codE in three dimensions (3-D), ANGIE3D. Flux tubes with decreased entropy, or "bubbles," are found to be generated due to the sudden change of flux tube topology and thus volume in reconnection. By tracking the propagation of the entropy-depleted flux tubes, the roles of the entropy structure in plasma transport to the inner magnetosphere is examined with a self-consistent global hybrid simulation for the first time. The value of S first decreases due to the shortening of flux tubes and then increases due to local ion heating as the bubbles are injected earthward by interchange-ballooning instability, finally oscillating around an equilibrium radial distance where S is nearly the same as the ambient value. The pressure remains anisotropic and not constant along the flux tubes during their propagation with a nonzero heat flux along the field line throughout the duration of the simulation. The correlation of these bubbles with earthward fast flows and specific entropy s is also studied.

  6. Structure distribution and turbulence in self-consistently supernova-driven ISM of multiphase magnetized galactic discs

    Science.gov (United States)

    Iffrig, Olivier; Hennebelle, Patrick

    2017-08-01

    and velocity fields and we conclude that they tend to be well aligned particularly at high magnetization and lower feedback. Finally, the dense structures present scaling relations that are reminiscent of the observational ones. The virial parameter is typically larger than 10 and shows a large spread of masses below 1000 M⊙. For masses larger than 104M⊙, its value tends to a few. Conclusions: Using a relatively simple scheme for the supernova feedback, which is self-consistently proportional to the SFR and spatially correlated to the star formation process, we reproduce a stratified galactic disc that presents reasonable scale height, SFR as well as a cloud distribution with characteristics close to the observed ones.

  7. Domain-dependent electronic structure and optical absorption property in hybrid organic-inorganic perovskite.

    Science.gov (United States)

    Meng, Xiang; Zhang, Ruifeng; Fu, Zhongheng; Zhang, Qianfan

    2016-10-05

    Hybrid organic-inorganic perovskites, represented by materials in the CH3NH3PbI3 series, have become one of the most promising materials for solar cells with a high power conversion efficiency and low cost. The ordered Pb-I cage in such hybrid perovskites can induce the polarized cations to form a variety of polarization domains with long-range order, which will lead to the formation of specific atomic conformations or metastable crystalline phases, unique electronic band structures and optical absorption properties. Such domain-dependent characteristics play a critical role in the phase transition and service stability of such solar cells, and also open up the opportunity of tuning their electronic structure. In the present study, we systematically investigate the band structures and optical absorption properties of different electronically ordered domains in CH3NH3PbI3. By comparing different perovskites containing various cations, we have clarified the important influence of cation polarization on domain-dependent properties. Our results provide not only a possible pathway for the manipulation of band structure by applying an external field, but also a novel scheme for improving the performance and stability of hybrid perovskites.

  8. Carbon and metal nanotube hybrid structures on graphene as efficient electron field emitters

    Science.gov (United States)

    Heo, Kwang; Lee, Byung Yang; Lee, Hyungwoo; Cho, Dong-guk; Arif, Muhammad; Kim, Kyu Young; Choi, Young Jin; Hong, Seunghun

    2016-07-01

    We report a facile and efficient method for the fabrication of highly-flexible field emission devices by forming tubular hybrid structures based on carbon nanotubes (CNTs) and nickel nanotubes (Ni NTs) on graphene-based flexible substrates. By employing an infiltration process in anodic alumina oxide (AAO) templates followed by Ni electrodeposition, we could fabricate CNT-wrapped Ni NT/graphene hybrid structures. During the electrodeposition process, the CNTs served as Ni nucleation sites, resulting in a large-area array of high aspect-ratio field emitters composed of CNT-wrapped Ni NT hybrid structures. As a proof of concepts, we demonstrate that high-quality flexible field emission devices can be simply fabricated using our method. Remarkably, our proto-type field emission devices exhibited a current density higher by two orders of magnitude compared to other devices fabricated by previous methods, while maintaining its structural integrity in various bending deformations. This novel fabrication strategy can be utilized in various applications such as optoelectronic devices, sensors and energy storage devices.

  9. Glassy Carbon Coating Deposited on Hybrid Structure of Composite Materials

    Directory of Open Access Journals (Sweden)

    Posmyk A.

    2016-06-01

    Full Text Available This paper presents a method of production metal matrix composites with aluminum oxide foam covered by glassy carbon layer used as reinforcement. The glassy carbon coating was formed for decreasing of friction coefficient and reducing the wear. In first step of technology liquid glassy carbon precursor is on ceramic foam deposited, subsequently cured and carbonated at elevated temperature. In this way ceramic foam is covered with glassy carbon coating with thickness of 2-8 μm. It provides desirable amount of glassy carbon in the structure of the material. In the next step, porous spheres with carbon coating are infiltrated by liquid matrix of Al-Cu-Mg alloy. Thereby, equable distribution of glassy carbon in composite volume is achieved. Moreover, typical problems for composites reinforced by particles like sedimentation, agglomeration and clustering of particles are avoided. Tribological characteristics during friction in air versus cast iron as a counterpart were made. Produced composites with glassy carbon layer are characterised by friction coefficient between 0.08-0.20, thus meeting the typical conditions for solid lubricants.

  10. sp3-hybridized framework structure of group-14 elements discovered by genetic algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Manh Cuong [Ames Laboratory; Zhao, Xin [Ames Laboratory; Wang, Cai-Zhuang [Ames Laboratory; Ho, Kai-Ming [Ames Laboratory

    2014-05-01

    Group-14 elements, including C, Si, Ge, and Sn, can form various stable and metastable structures. Finding new metastable structures of group-14 elements with desirable physical properties for new technological applications has attracted a lot of interest. Using a genetic algorithm, we discovered a new low-energy metastable distorted sp3-hybridized framework structure of the group-14 elements. It has P42/mnm symmetry with 12 atoms per unit cell. The void volume of this structure is as large as 139.7Å3 for Si P42/mnm, and it can be used for gas or metal-atom encapsulation. Band-structure calculations show that P42/mnm structures of Si and Ge are semiconducting with energy band gaps close to the optimal values for optoelectronic or photovoltaic applications. With metal-atom encapsulation, the P42/mnm structure would also be a candidate for rattling-mediated superconducting or used as thermoelectric materials.

  11. Hybrid Aluminum and Natural Fiber Composite Structure for Crash Safety Improvement

    Science.gov (United States)

    Helaili, S.; Chafra, M.; Chevalier, Y.

    There is a growing interest on pedestrian's protection in automotive safety standards. Pedestrians head impact is one of the most important tests. In this paper, a hybrid composite structure made from natural fiber and aluminum, which improve the head protection when impact is taken place, is presented. The structure is made from a honeycomb composite made from unidirectional and woven composites and a thin aluminum layer. A head impact model is developed. The number of hexagonal layers is fixed and the thickness of the aluminum layer of the honeycomb structure is varied. The specific absorption energy is then calculated.

  12. A hybrid analysis method for linear dynamic soil-structure interaction in time and frequency domain

    Institute of Scientific and Technical Information of China (English)

    丁海平; 廖振鹏

    2001-01-01

    A hybrid analysis method in time and frequency domains for linear soil-structure interaction is presented. First, the time domain solution of the system with Rayleigh damping excited by a short time impulse is obtained by the decoupling numerical simulation technique of near-field wave motion. Then, the corresponding frequency domain solution can be got by Fourier transform. According to the relationship between damping value and dynamic re-sponse of a system, the solution of the system with complex damping can be got by Taylor expansion. The hybrid method makes the best of decoupling and explicit algorithm in time domain, and increases the calculation efficien-cy for linear soil-structure interaction analysis.

  13. Tensile force identification in cable-stayed structures: Hybrid system identification algorithm and experimental verification

    Energy Technology Data Exchange (ETDEWEB)

    Noh, Myung Hyun [POSCO, Incheon (Korea, Republic of); Hu, Jong Wan [Incheon National University, Incheon (Korea, Republic of)

    2014-11-15

    In this study, we investigate a method to detect tensile forces in cable-stayed structures using the combined sensitivity updating method and the advanced hybrid microgenetic algorithm. The proposed method allows us not only to avoid the trap of minimum at initial searching stage but also to find their final solutions in better numerical efficiency. The validity of the technique is numerically verified using a set of dynamic data obtained from a simulation of the cable model modeled using the finite element method. Then, the hybrid algorithm is applied to vibrating sagged cables in the laboratory scale test. The results obtained are in good agreement with the semi-analytical solutions and experimental results reported by other investigators. The results indicate that the new method is computationally efficient in characterizing the tensile force variation for cable-stayed structures.

  14. Manipulating hybrid structures of polymer/a-Si for thin film solar cells

    Science.gov (United States)

    Peng, Ying; He, Zhiqun; Diyaf, Adel; Ivaturi, Aruna; Zhang, Zhi; Liang, Chunjun; Wilson, John I. B.

    2014-03-01

    A series of uniform polymer/amorphous silicon hybrid structures have been fabricated by means of solution-casting for polymer and radio frequency excited plasma enhanced chemical vapour deposition for amorphous silicon (a-Si:H). Poly(3,4-ethylene dioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) functioned as a photoactive donor, while the silicon layer acted as an acceptor. It is found that matching the hole mobility of the polymer to the electron mobility of amorphous silicon is critical to improve the photovoltaic performance from hybrid cells. A three-layer p-i-n structure of ITO/PEDOT:PSS(200 nm)/i-Si(450 nm)/n-Si(200 nm)/Al with a power conversion efficiency of 4.78% under a standard test condition was achieved.

  15. Manipulating hybrid structures of polymer/a-Si for thin film solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Ying; He, Zhiqun, E-mail: zhqhe@bjtu.edu.cn, E-mail: J.I.B.Wilson@hw.ac.uk; Zhang, Zhi; Liang, Chunjun [Key Laboratory of Luminescence and Optical Information, Ministry of Education, Institute of Optoelectronic Technology, Beijing Jiaotong University, Beijing 100044 (China); Diyaf, Adel; Ivaturi, Aruna; Wilson, John I. B., E-mail: zhqhe@bjtu.edu.cn, E-mail: J.I.B.Wilson@hw.ac.uk [SUPA, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)

    2014-03-10

    A series of uniform polymer/amorphous silicon hybrid structures have been fabricated by means of solution-casting for polymer and radio frequency excited plasma enhanced chemical vapour deposition for amorphous silicon (a-Si:H). Poly(3,4-ethylene dioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) functioned as a photoactive donor, while the silicon layer acted as an acceptor. It is found that matching the hole mobility of the polymer to the electron mobility of amorphous silicon is critical to improve the photovoltaic performance from hybrid cells. A three-layer p-i-n structure of ITO/PEDOT:PSS(200 nm)/i-Si(450 nm)/n-Si(200 nm)/Al with a power conversion efficiency of 4.78% under a standard test condition was achieved.

  16. Effect of Different Structural Materials on Neutronic Performance of a Hybrid Reactor

    Science.gov (United States)

    Übeyli, Mustafa; Tel, Eyyüp

    2003-06-01

    Selection of structural material for a fusion-fission (hybrid) reactor is very important by taking into account of neutronic performance of the blanket. Refractory metals and alloys have much higher operating temperatures and neutron wall load (NWL) capabilities than low activation materials (ferritic/martensitic steels, vanadium alloys and SiC/SiC composites) and austenitic stainless steels. In this study, effect of primary candidate refractory alloys, namely, W-5Re, T111, TZM and Nb-1Zr on neutronic performance of the hybrid reactor was investigated. Neutron transport calculations were conducted with the help of SCALE 4.3 System by solving the Boltzmann transport equation with code XSDRNPM. Among the investigated structural materials, tantalum had the worst performance due to the fact that it has higher neutron absorption cross section than others. And W-5Re and TZM having similar results showed the best performance.

  17. Controlling Torque Distribution for Parallel Hybrid Vehicle Based on Hierarchical Structure Fuzzy Logic

    Institute of Scientific and Technical Information of China (English)

    HuangMiao-hua; JinGuo-dong

    2003-01-01

    The Hierarchical Structure Fuzzy Logic Control(HSFLC) strategies of torque distribute for Parallel Hybrid Electric Vehicle (PHEV) in the mocle of operation of the vehicle i. e. , acceleration, cruise, deceleration etc. have been studied. Using secondly developed the hybrid vehicle simulation tool ADVISOR, the dynamic model of PHEV has been set up by MATLAB/SIMULINK. The engine, motor as well as the battery characteristics have been studied. Simulation results show that the proposed hierarchical structured fuzzy logic control strategy is effective over the entire operating range of the vehicle in terms of fuel economy. Based on the analyses of the simulation results and driver's experiences, a fuzzy controller is designed and developed to control the torque distribution. The controller is evaluated via hardware-in-the-loop simulator (HILS). The results show that controller verify its value.

  18. Research Update: The electronic structure of hybrid perovskite layers and their energetic alignment in devices

    Directory of Open Access Journals (Sweden)

    Selina Olthof

    2016-09-01

    Full Text Available In recent years, the interest in hybrid organic–inorganic perovskites has increased at a rapid pace due to their tremendous success in the field of thin film solar cells. This area closely ties together fundamental solid state research and device application, as it is necessary to understand the basic material properties to optimize the performances and open up new areas of application. In this regard, the energy levels and their respective alignment with adjacent charge transport layers play a crucial role. Currently, we are lacking a detailed understanding about the electronic structure and are struggling to understand what influences the alignment, how it varies, or how it can be intentionally modified. This research update aims at giving an overview over recent results regarding measurements of the electronic structure of hybrid perovskites using photoelectron spectroscopy to summarize the present status.

  19. Multi-locus estimates of population structure and migration in a fence lizard hybrid zone.

    Directory of Open Access Journals (Sweden)

    Adam D Leaché

    Full Text Available A hybrid zone between two species of lizards in the genus Sceloporus (S. cowlesi and S. tristichus on the Mogollon Rim in Arizona provides a unique opportunity to study the processes of lineage divergence and merging. This hybrid zone involves complex interactions between 2 morphologically and ecologically divergent subspecies, 3 chromosomal groups, and 4 mitochondrial DNA (mtDNA clades. The spatial patterns of divergence between morphology, chromosomes and mtDNA are discordant, and determining which of these character types (if any reflects the underlying population-level lineages that are of interest has remained impeded by character conflict. The focus of this study is to estimate the number of populations interacting in the hybrid zone using multi-locus nuclear data, and to then estimate the migration rates and divergence time between the inferred populations. Multi-locus estimates of population structure and gene flow were obtained from 12 anonymous nuclear loci sequenced for 93 specimens of Sceloporus. Population structure estimates support two populations, and this result is robust to changes to the prior probability distribution used in the Bayesian analysis and the use of spatially-explicit or non-spatial models. A coalescent analysis of population divergence suggests that gene flow is high between the two populations, and that the timing of divergence is restricted to the Pleistocene. The hybrid zone is more accurately described as involving two populations belonging to S. tristichus, and the presence of S. cowlesi mtDNA haplotypes in the hybrid zone is an anomaly resulting from mitochondrial introgression.

  20. Dispersing perylene diimide/SWCNT hybrids: structural insights at the molecular level and fabricating advanced materials.

    Science.gov (United States)

    Tsarfati, Yael; Strauss, Volker; Kuhri, Susanne; Krieg, Elisha; Weissman, Haim; Shimoni, Eyal; Baram, Jonathan; Guldi, Dirk M; Rybtchinski, Boris

    2015-06-17

    The unique properties of carbon nanotubes (CNT) are advantageous for emerging applications. Yet, the CNT insolubility hampers their potential. Approaches based on covalent and noncovalent methodologies have been tested to realize stable dispersions of CNTs. Noncovalent approaches are of particular interest as they preserve the CNT's structures and properties. We report on hybrids, in which perylene diimide (PDI) amphiphiles are noncovalently immobilized onto single wall carbon nanotubes (SWCNT). The resulting hybrids were dispersed and exfoliated both in water and organic solvents in the presence of two different PDI derivatives, PP2b and PP3a. The dispersions were investigated using cryogenic transmission electron microscopy (cryo-TEM), providing unique structural insights into the exfoliation. A helical arrangement of PP2b assemblies on SWCNTs dominates in aqueous dispersions, while a single layer of PP2b and PP3a was found on SWCNTs in organic dispersions. The dispersions were probed by steady-state and time-resolved spectroscopies, revealing appreciable charge redistribution in the ground state, and an efficient electron transfer from SWCNTs to PDIs in the excited state. We also fabricated hybrid materials from the PP2b/SWCNT dispersions. A supramolecular membrane was prepared from aqueous dispersions and used for size-selective separation of gold nanoparticles. Hybrid buckypaper films were prepared from the organic dispersions. In the latter, high conductivity results from enhanced electronic communication and favorable morphology within the hybrid material. Our findings shed light onto SWCNT/dispersant molecular interactions, and introduce a versatile approach toward universal solution processing of SWCNT-based materials.

  1. GW quasiparticle band gap of the hybrid organic-inorganic perovskite CH$_3$NH$_3$PbI$_3$: Effect of spin-orbit interaction, semicore electrons, and self-consistency

    OpenAIRE

    Filip, Marina R.; Giustino, Feliciano

    2014-01-01

    We study the quasiparticle band gap of the hybrid organic-inorganic lead halide perovskite CH$_3$NH$_3$PbI$_3$, using many-body perturbation theory based on the $GW$ approximation. We perform a systematic analysis of the band gap sensitivity to relativistic spin-orbit effects, to the description of semicore Pb-5$d$ and I-4$d$ electrons, and to the starting Kohn-Sham eigenvalues. We find that the inclusion of semicore states increases the calculated band gap by 0.2 eV, and self-consistency on ...

  2. Informal uncertainty analysis (GLUE) of continuous flow simulation in a hybrid sewer system with infiltration inflow - Consistency of containment ratios in calibration and validation?

    DEFF Research Database (Denmark)

    Breinholt, Anders; Grum, Morten; Madsen, Henrik

    2013-01-01

    to spatiooral rain variability during heavy convective rain events, flow measurement errors, possible model deficiencies as well as epistemic uncertainties, it was not possible to obtain an overall CR of more than 80%. However, the GLUE generated prediction limits still proved rather consistent, since......, the relative size of paved area vs. the size of infiltrating area. We should therefore try to learn from the significant discrepancies between model and observations from this study, possibly by using some form of non-stationary error correction procedure, but it seems crucial to obtain more representative...

  3. Diffraction anomalies in hybrid structures based on chalcogenide-coated opal photonic crystals

    CERN Document Server

    Voronov, M M; Yakovlev, S A; Kurdyukov, D A; Golubev, V G

    2014-01-01

    The results of spectroscopic studies of the diffraction anomalies (the so-called resonant Wood anomalies) in spatially-periodic hybrid structures based on halcogenide (GST225)-coated opal films of various thickness are presented. A theoretical analysis of spectral-angular dependencies of the Wood anomalies has been made by means of a phenomenological approach using the concept of the effective refractive index of waveguiding surface layer.

  4. Structural Stability of Functionalized Silicene Nanoribbons with Normal, Reconstructed, and Hybrid Edges

    OpenAIRE

    Sadegh Mehdi Aghaei; Ingrid Torres; Irene Calizo

    2016-01-01

    Silicene, a novel graphene-like material, has attracted a significant attention because of its potential applications for nanoelectronics. In this paper, we have theoretically investigated the structural stability of edge-hydrogenated and edge-fluorinated silicene nanoribbons (SiNRs) via first-principles calculations. Various edge forms of SiNRs including armchair edge, zigzag edge, Klein edge, reconstructed Klein edge, reconstructed pentagon-heptagon edge, and hybrid edges have been consider...

  5. The topological structure of the integral quantum Hall effect in magnetic semiconductor-superconductor hybrids

    Institute of Scientific and Technical Information of China (English)

    Ren Ji-Rong; Zhu Hui

    2009-01-01

    An unconventional integer quantum Hall regime was found in magnetic semiconductor-superconductor hybrids.By making use of the decomposition of the gauge potential on a U(1) principal fibre bundle over k-space, we study the topological structure of the integral Hall conductance. It is labeled by the Hopf index β and the Brouwer degree η. The Hall conductance topological current and its evolution is discussed.

  6. Hybrid Soft Soil Tire Model (HSSTM). Part 1: Tire Material and Structure Modeling

    Science.gov (United States)

    2015-04-28

    HYBRID SOFT SOIL TIRE MODEL (HSSTM). PART I: TIRE MATERIAL AND STRUCTURE MODELING Taheri, Sh.a,1, Sandu, C.a...model the dynamic behavior of the tire on soft soil , a lumped mass discretized tire model using Kelvin-Voigt elements is developed. To optimize the...terrains (such as sandy loam) and tire force and moments, soil sinkage, and tire deformation data were collected for various case studies based on a

  7. Facile preparation of smooth perovskite films for efficient meso/planar hybrid structured perovskite solar cells.

    Science.gov (United States)

    Zhang, Meng; Yu, Hua; Yun, Jung-Ho; Lyu, Miaoqiang; Wang, Qiong; Wang, Lianzhou

    2015-06-21

    Smooth organolead halide perovskite films for meso/planar hybrid structured perovskite solar cells were prepared by a simple compressed air blow-drying method under ambient conditions. The resultant perovskite films show high surface coverage, leading to a device power conversion efficiency of over 10% with an open circuit voltage up to 1.003 V merely using pristine poly(3-hexylthiophene) (P3HT) as a hole transporter.

  8. An Innovative Collagen-Based Cell-Printing Method for Obtaining Human Adipose Stem Cell-Laden Structures Consisting of Core-Sheath Structures for Tissue Engineering.

    Science.gov (United States)

    Yeo, MyungGu; Lee, Ji-Seon; Chun, Wook; Kim, Geun Hyung

    2016-04-11

    Three-dimensional (3D) cell printing processes have been used widely in various tissue engineering applications due to the efficient embedding of living cells in appropriately designed micro- or macro-structures. However, there are several issues to overcome, such as the limited choice of bioinks and tailor-made fabricating strategies. Here, we suggest a new, innovative cell-printing process, supplemented with a core-sheath nozzle and an aerosol cross-linking method, to obtain multilayered cell-laden mesh structure and a newly considered collagen-based cell-laden bioink. To obtain a mechanically and biologically enhanced cell-laden structure, we used collagen-bioink in the core region, and also used pure alginate in the sheath region to protect the cells in the collagen during the printing and cross-linking process and support the 3D cell-laden mesh structure. To achieve the most appropriate conditions for fabricating cell-embedded cylindrical core-sheath struts, various processing conditions, including weight fractions of the cross-linking agent and pneumatic pressure in the core region, were tested. The fabricated 3D MG63-laden mesh structure showed significantly higher cell viability (92 ± 3%) compared with that (83 ± 4%) of the control, obtained using a general alginate-based cell-printing process. To expand the feasibility to stem cell-embedded structures, we fabricated a cell-laden mesh structure consisting of core (cell-laden collagen)/sheath (pure alginate) using human adipose stem cells (hASCs). Using the selected processing conditions, we could achieve a stable 3D hASC-laden mesh structure. The fabricated cell-laden 3D core-sheath structure exhibited outstanding cell viability (91%) compared to that (83%) of an alginate-based hASC-laden mesh structure (control), and more efficient hepatogenic differentiations (albumin: ∼ 1.7-fold, TDO-2: ∼ 7.6-fold) were observed versus the control. The selection of collagen-bioink and the new printing strategy

  9. Nano- and micro-structured silicon for hybrid near-infrared photodetectors

    Science.gov (United States)

    Äńerek, V.; Głowacki, E. D.; Bednorz, M.; Demchyshyn, S.; Sariciftci, N. S.; Ivanda, M.

    2016-05-01

    Structuring surface and bulk of crystalline silicon on different length scales can significantly alter its properties and possibly improve the performance of opto-electronic devices and sensors based on silicon. Different dominant feature scales are responsible for modification of some of electronic and optical properties of silicon. Several easily reproducible chemical methods for facile structuring of silicon on nano and micro-scales, based on both electroless and anodic etching of silicon in hydrofluoric acid based etchants, and chemical anisotropic etching of silicon in basic environments, are presented. We show how successive micro and nano structuring creates hierarchical silicon surfaces, which can be used to simultaneously exploit the advantages of both structuring feature length scales. Finally, we demonstrate a large increase in photocurrent obtained from a hybrid structured silicon/organic near-infrared photodetector. Improved silicon/6,6'-dibromoindigo hybrid photodiodes were prepared by nano- and micro-structuring the silicon part of the heterojunction by wet chemical etching methods. Photocurrent and spectral responsivity were improved in comparison to planar diodes by up to two orders of magnitude by optimization of the silicon structuring process. We show that the improvement in photocurrent is not due to the increase in surface area or light trapping.

  10. Application of a Dot Blot Hybridization Platform to Assess Streptococcus uberis Population Structure in Dairy Herds

    Science.gov (United States)

    Albuquerque, Pedro; Ribeiro, Niza; Almeida, Alexandre; Panschin, Irena; Porfirio, Afonso; Vales, Marta; Diniz, Francisca; Madeira, Helena; Tavares, Fernando

    2017-01-01

    Streptococcus uberis is considered one of the most important pathogens associated with bovine mastitis. While traditionally acknowledged as an environmental pathogen, S. uberis has been shown to adopt a contagious epidemiological pattern in several dairy herds. Since different control strategies are employed depending on the mode of transmission, in-depth studies of S. uberis populations are essential to determine the best practices to control this pathogen. In this work, we optimized and validated a dot blot platform, combined with automatic image analysis, to rapidly assess the population structure of infective S. uberis, and evaluated its efficiency when compared to multilocus sequence analysis (MLSA) genotyping. Two dairy herds with prevalent S. uberis infections were followed in a 6 month period, in order to collect and characterize isolates from cows with persistent infections. These herds, located in Portugal (Barcelos and Maia regions), had similar management practices, with the herd from Barcelos being smaller and having a better milking parlor management, since infected cow segregation was immediate. A total of 54 S. uberis isolates were obtained from 24 different cows from the two herds. To overcome operator-dependent analysis of the dot blots and increase the technique's consistency and reliability, the hybridization signals were converted into probability values, with average probabilities higher than 0.5 being considered positive results. These data allowed to confirm the isolates' identity as S. uberis using taxa-specific markers and to determine the presence of virulence- and antibiotic resistance-related genes. In addition, MLSA allowed to disclose the most prevalent S. uberis clonal lineages in both herds. Seven different clusters were identified, with Barcelos showing a high clonal diversity and Maia a dominant lineage infecting most cows, suggesting distinct epidemiological patterns, with S. uberis displaying an environmental or contagious

  11. Application of Nuclear Magnetic Resonance and Hybrid Methods to Structure Determination of Complex Systems.

    Science.gov (United States)

    Prischi, Filippo; Pastore, Annalisa

    2016-01-01

    The current main challenge of Structural Biology is to undertake the structure determination of increasingly complex systems in the attempt to better understand their biological function. As systems become more challenging, however, there is an increasing demand for the parallel use of more than one independent technique to allow pushing the frontiers of structure determination and, at the same time, obtaining independent structural validation. The combination of different Structural Biology methods has been named hybrid approaches. The aim of this review is to critically discuss the most recent examples and new developments that have allowed structure determination or experimentally-based modelling of various molecular complexes selecting them among those that combine the use of nuclear magnetic resonance and small angle scattering techniques. We provide a selective but focused account of some of the most exciting recent approaches and discuss their possible further developments.

  12. Hybrid metal-dielectric, slow wave structure with magnetic coupling and compensation

    Energy Technology Data Exchange (ETDEWEB)

    Smirnov, A.V., E-mail: asmirnov@radiabeam.com [RadiaBeam Systems LLC, 1713 Stewart St., Santa Monica, CA 90404 (United States); Savin, E. [RadiaBeam Systems LLC, 1713 Stewart St., Santa Monica, CA 90404 (United States); National Research Nuclear University “MEPhI”, Moscow 115409 (Russian Federation)

    2016-06-01

    A number of electron beam vacuum devices such as small radiofrequency (RF) linear accelerators (linacs) and microwave traveling wave tubes (TWTs) utilize slow wave structures which are usually rather complicated in production and may require multi-step brazing and time consuming tuning. Fabrication of these devices becomes challenging at centimeter wavelengths, at large number of cells, and when a series or mass production of such structures is required. A hybrid, metal-dielectric, periodic structure for low gradient, low beam current applications is introduced here as a modification of Andreev’s disk-and-washer (DaW) structure. Compensated type of coupling between even and odd TE01 modes in the novel structure results in negative group velocity with absolute values as high as 0.1c–0.2c demonstrated in simulations. Sensitivity to material imperfections and electrodynamic parameters of the disk-and-ring (DaR) structure are considered numerically using a single cell model.

  13. Multifunctional hybrid porous filters with hierarchical structures for simultaneous removal of indoor VOCs, dusts and microorganisms.

    Science.gov (United States)

    Zhao, Yang; Low, Ze-Xian; Feng, Shasha; Zhong, Zhaoxiang; Wang, Yong; Yao, Zhong

    2017-02-23

    Air purification often requires multiple layers of filters with different functions to remove various air pollutants, which lead to high pressure drop, high air flow path and frequent filter replacement. In this work, a novel multifunctional Ag@MWCNTs/Al2O3 hybrid filter with a depth-type hierarchical structure for simultaneous removal of fine particles, microorganisms and VOCs was designed and fabricated. The novel hybrid air filter showed leading air purification performances to date, achieving 82.24% degradation of formaldehyde at room temperature, 99.99% formaldehyde degradation at 55 °C and complete retention of indoor airborne microorganisms. The complete particle retention rate (100% retention) based on the most penetrating particle size (MPPS, aerodynamic diameter ≦300 nm) of Ag@MWCNTs/Al2O3 was achieved at an only 35.60% pressure drop compared with the pristine Al2O3 filter, leading to the highest quality factor (Qf) ever reported. Furthermore, the Ag@MWCNTs/Al2O3 hybrid filter showed excellent water repellency (water contact angle of 139.6 ± 2.9°), prolonging the service life of the filters and improving the air purification efficiency. The novel Ag@MWCNTs/Al2O3 hybrid filter exhibits remarkable air purification performance in both laboratory synthetic conditions as well as in the "real world" and shows great promise as an effective single replacement for multiple layers of air purifying filters.

  14. Optoelectronic Properties of Van Der Waals Hybrid Structures: Fullerenes on Graphene Nanoribbons

    Science.gov (United States)

    Correa, Julián David; Orellana, Pedro Alejandro; Pacheco, Mónica

    2017-01-01

    The search for new optical materials capable of absorbing light in the frequency range from visible to near infrared is of great importance for applications in optoelectronic devices. In this paper, we report a theoretical study of the electronic and optical properties of hybrid structures composed of fullerenes adsorbed on graphene and on graphene nanoribbons. The calculations are performed in the framework of the density functional theory including the van der Waals dispersive interactions. We found that the adsorption of the C60 fullerenes on a graphene layer does not modify its low energy states, but it has strong consequences for its optical spectrum, introducing new absorption peaks in the visible energy region. The optical absorption of fullerenes and graphene nanoribbon composites shows a strong dependence on photon polarization and geometrical characteristics of the hybrid systems, covering a broad range of energies. We show that an external electric field across the nanoribbon edges can be used to tune different optical transitions coming from nanoribbon–fullerene hybridized states, which yields a very rich electro-absorption spectrum for longitudinally polarized photons. We have carried out a qualitative analysis on the potential of these hybrids as possible donor-acceptor systems in photovoltaic cells. PMID:28336904

  15. Nacre-like hybrid films: Structure, properties, and the effect of relative humidity.

    Science.gov (United States)

    Abba, Mohammed T; Hunger, Philipp M; Kalidindi, Surya R; Wegst, Ulrike G K

    2015-03-01

    Functional materials often are hybrids composed of biopolymers and mineral constituents. The arrangement and interactions of the constituents frequently lead to hierarchical structures with exceptional mechanical properties and multifunctionality. In this study, hybrid thin films with a nacre-like brick-and-mortar microstructure were fabricated in a straightforward and reproducible manner through manual shear casting using the biopolymer chitosan as the matrix material (mortar) and alumina platelets as the reinforcing particles (bricks). The ratio of inorganic to organic content was varied from 0% to 15% and the relative humidities from 36% to 75% to determine their effects on the mechanical properties. It was found that increasing the volume fraction of alumina from 0% to 15% results in a twofold increase in the modulus of the film, but decreases the tensile strength by up to 30%, when the volume fraction of alumina is higher than 5%. Additionally, this study quantifies and illustrates the critical role of the relative humidity on the mechanical properties of the hybrid film. Increasing the relative humidity from 36% to 75% decreases the modulus and strength by about 45% and triples the strain at failure. These results suggest that complex hybrid materials can be manufactured and tailor made for specific applications or environmental conditions.

  16. Insect damages on structural, morphologic and composition of Bt maize hybrids to silage

    Directory of Open Access Journals (Sweden)

    Geraldo Balieiro Neto

    2013-03-01

    Full Text Available It was aimed to evaluate the effect of insect damage on the morphologic and structural characteristics and chemical composition from maize hybrids DKB 390 and AG 8088 with the Cry1Ab trait versus its nonbiotech counterpart. The GMO did not receive insecticide application and the conventional hybrids received one deltametrina (2.8% application at 42 days. The damages caused bySpodoptera frugiperda and Helicoverpa zea in hybrids with Cry1Ab were smaller than its nonbiotech counterpart. After harvest, 95 days after seedling plants were separated in stalks, ears, leafs, dead leafs and floral pennant. The experimental design was randomized block in factorial arrangement 2 x 2. The height of plant and height of ear, percentage and amount of dead leafs from hybrids with the Cry1Ab were higher than its nonbiotech counterpart. There was higher nutrients transfer from stalks to grain filling and smaller rate stalks:ear on transgenic plant. The quality of the transgenic plants can be better when harvest earlier, by increasing no fiber carbohydrates, but when harvest latter, by increasing stalk percentage and stalk lignin content.

  17. Enhanced Mechanical Performance of Bio-Inspired Hybrid Structures Utilising Topological Interlocking Geometry

    Science.gov (United States)

    Djumas, Lee; Molotnikov, Andrey; Simon, George P.; Estrin, Yuri

    2016-05-01

    Structural composites inspired by nacre have emerged as prime exemplars for guiding materials design of fracture-resistant, rigid hybrid materials. The intricate microstructure of nacre, which combines a hard majority phase with a small fraction of a soft phase, achieves superior mechanical properties compared to its constituents and has generated much interest. However, replicating the hierarchical microstructure of nacre is very challenging, not to mention improving it. In this article, we propose to alter the geometry of the hard building blocks by introducing the concept of topological interlocking. This design principle has previously been shown to provide an inherently brittle material with a remarkable flexural compliance. We now demonstrate that by combining the basic architecture of nacre with topological interlocking of discrete hard building blocks, hybrid materials of a new type can be produced. By adding a soft phase at the interfaces between topologically interlocked blocks in a single-build additive manufacturing process, further improvement of mechanical properties is achieved. The design of these fabricated hybrid structures has been guided by computational work elucidating the effect of various geometries. To our knowledge, this is the first reported study that combines the advantages of nacre-inspired structures with the benefits of topological interlocking.

  18. Tuning Structure and Properties of Graded Triblock Terpolymer-Based Mesoporous and Hybrid Films

    KAUST Repository

    Phillip, William A.

    2011-07-13

    Despite considerable efforts toward fabricating ordered, water-permeable, mesoporous films from block copolymers, fine control over pore dimensions, structural characteristics, and mechanical behavior of graded structures remains a major challenge. To this end, we describe the fabrication and performance characteristics of graded mesoporous and hybrid films derived from the newly synthesized triblock terpolymer, poly(isoprene-b-styrene-b-4-vinylpyridine). A unique morphology, unachievable in diblock copolymer systems, with enhanced mechanical integrity is evidenced. The film structure comprises a thin selective layer containing vertically aligned and nearly monodisperse mesopores at a density of more than 1014 per m2 above a graded macroporous layer. Hybridization via homopolymer blending enables tuning of pore size within the range of 16 to 30 nm. Solvent flow and solute separation experiments demonstrate that the terpolymer films have permeabilities comparable to commercial membranes, are stimuli-responsive, and contain pores with a nearly monodisperse diameter. These results suggest that moving to multiblock polymers and their hybrids may open new paths to produce high-performance graded membranes for filtration, separations, nanofluidics, catalysis, and drug delivery. © 2011 American Chemical Society.

  19. Investigation of a hybrid structure gaseous detector for ion backflow suppression suppression

    CERN Document Server

    Zhang, YuLian; Hu, BiTao

    2016-01-01

    A new concept for ion backflow suppression in future time projection chamber with Micropattern Gas Detectors readout is presented. It is a hybrid structure cascaded Gas Electron Multiplier with Micromegas with the goal to reduce ion backflow from the amplification region towards the drift volume. Gas Electron Multiplier also acting as a preamplifer and shares gas gain with Micromegas. In this way a lower voltage difference has to be applied to the Micromegas and risk of sparking is reduced. Feasibility tests for the hybrid detector is performed using an $^{55}$Fe X-ray source to evaluate the energy resolution, its gain properties and the ion backflow. %The properties of this novel structure in terms of gain and ion backflow are investigated. The energy resolution is better than 27$\\%$ FWHM for 5.9 keV X-rays. It is demonstrated that at a gain up to 6000, a backflow ratio less than 0.3$\\%$ is reachable in the hybrid readout structure.

  20. CPU-GPU hybrid accelerating the Zuker algorithm for RNA secondary structure prediction applications.

    Science.gov (United States)

    Lei, Guoqing; Dou, Yong; Wan, Wen; Xia, Fei; Li, Rongchun; Ma, Meng; Zou, Dan

    2012-01-01

    Prediction of ribonucleic acid (RNA) secondary structure remains one of the most important research areas in bioinformatics. The Zuker algorithm is one of the most popular methods of free energy minimization for RNA secondary structure prediction. Thus far, few studies have been reported on the acceleration of the Zuker algorithm on general-purpose processors or on extra accelerators such as Field Programmable Gate-Array (FPGA) and Graphics Processing Units (GPU). To the best of our knowledge, no implementation combines both CPU and extra accelerators, such as GPUs, to accelerate the Zuker algorithm applications. In this paper, a CPU-GPU hybrid computing system that accelerates Zuker algorithm applications for RNA secondary structure prediction is proposed. The computing tasks are allocated between CPU and GPU for parallel cooperate execution. Performance differences between the CPU and the GPU in the task-allocation scheme are considered to obtain workload balance. To improve the hybrid system performance, the Zuker algorithm is optimally implemented with special methods for CPU and GPU architecture. Speedup of 15.93× over optimized multi-core SIMD CPU implementation and performance advantage of 16% over optimized GPU implementation are shown in the experimental results. More than 14% of the sequences are executed on CPU in the hybrid system. The system combining CPU and GPU to accelerate the Zuker algorithm is proven to be promising and can be applied to other bioinformatics applications.

  1. An ultra-thin dual-band phase-gradient metasurface using hybrid resonant structures for backward RCS reduction

    Science.gov (United States)

    Cheng, Yongzhi; Wu, Chenjun; Ge, Chenchen; Yang, Jiaji; Pei, Xiaojun; Jia, Fan; Gong, Rongzhou

    2017-05-01

    We introduce and investigate, both experimentally and theoretically, a dual-band phase-gradient metasurface (PGM) to accurately facilitate dual-band beams deflection for electromagnetic waves. The designed PGM is composed of two kinds of split-ring resonators as the basic element of a super cell. These hybrid resonant structures can generate phase gradients at two distinct frequencies, which, in turn, generate appropriately artificial wave vectors that meet the requirements for anomalous reflection in terms of generalized Snell's law. Both simulations and experiments are consistent with the theoretical predictions. Further, this PGM can work at 8.9 and 11.4 GHz frequencies providing a phenomenon of anomalous reflection, which is useful for backward radar cross section reduction.

  2. [Characteristics of canopy structure of super high yielding japonica hybrid rice community].

    Science.gov (United States)

    Chen, Jinhong; Zhang, Guoping; Guo, Hengde; Mao, Guojuan

    2003-06-01

    In this paper, the characteristics of canopy structure, such as the numbers of seedling, panicle and grain, the distribution of dry matters in different canopy layers and different organs, and the distributions of LAI and of solar radiation in different canopy layers of super high yielding community of japonica hybrid rice were studied, in comparison with normal japonica rice. The results showed that the total the dry matter weight and the dry matter weight of layers below 40 cm, 40-60 cm, 60-80 cm and above 80 cm of japonica hybrid rice canopy were 32.29%, 29.12%, 13.95%, 16.45% and 100.17% higher those that of normal japonica rice, respectively. The ratios of dry leaf (photosynthetic organ) and of dry panicle (sink organ) weight to total dry weight were 24.8% and 12.8%, respectively, which were greater than those of normal japonica rice, while the ratios of dry sheath and stem (storage organs) weight were 33.6% and 28.9%, respectively, which were lower than those of normal japonica rice. The allotment of LAI in different layers of japonica hybrid rice canopy was reasonable, and the LAI of above 40 cm layer at full heading stage reached 5.44. The solar radiation was well-distributed inside japonica hybrid rice canopy, for example, the solar radiation in layers below 60 cm were 13.1%-37.0% higher, but 5.9%-12.2% lower above 60 cm than that of normal japonica rice. The extinction coefficients of solar radiation in layers below 20 cm, 20-40 cm, 40-60 cm and 60-80 cm of japonica hybrid rice canopy were 35.1%, 13.5%, 29.1% and 17.2% lower than that of normal japonica rice, respectively.

  3. Hyper-cross-linked, hybrid membranes via interfacial polymerization

    NARCIS (Netherlands)

    Raaijmakers, M.J.T.

    2015-01-01

    Hyper-cross-linked, hybrid membranes consist of covalent networks of alternating organic and inorganic, or biological groups. This thesis reports on the preparation of such hybrid networks via interfacial polymerization. The structure-property relationships of the hybrid networks depend strongly on

  4. Rate-prediction structure complexity analysis for multi-view video coding using hybrid genetic algorithms

    Science.gov (United States)

    Liu, Yebin; Dai, Qionghai; You, Zhixiang; Xu, Wenli

    2007-01-01

    Efficient exploitation of the temporal and inter-view correlation is critical to multi-view video coding (MVC), and the key to it relies on the design of prediction chain structure according to the various pattern of correlations. In this paper, we propose a novel prediction structure model to design optimal MVC coding schemes along with tradeoff analysis in depth between compression efficiency and prediction structure complexity for certain standard functionalities. Focusing on the representation of the entire set of possible chain structures rather than certain typical ones, the proposed model can given efficient MVC schemes that adaptively vary with the requirements of structure complexity and video source characteristics (the number of views, the degrees of temporal and interview correlations). To handle large scale problem in model optimization, we deploy a hybrid genetic algorithm which yields satisfactory results shown in the simulations.

  5. Design and Fabrication of a Novel Hybrid-Structure Heat Pipe for a Concentrator Photovoltaic

    Directory of Open Access Journals (Sweden)

    Heiu-Jou Shaw

    2012-10-01

    Full Text Available This study presents a design method to fabricate a novel hybrid-structure flat plate heat pipe (NHSP heat pipe for a concentrator photovoltaic. The NHSP heat pipe is composed of a flattened copper pipe and a sintered wick structure, and a coronary-stent-like rhombic copper mesh supports the structure. The coronary-stent-like supporting structure enhances the mechanical strength and shortens the reflux path of the working fluid. Experiments demonstrate that the sintered capillary heat pipe reduces the thermal resistance by approximately 72%, compared to a traditional copper mesh-screen heat pipe. Furthermore, it can reduce thermal resistance by 65% after a supporting structure is added to the heat pipe. The results show that the NHSP heat pipe provided the best performance for the concentrator photovoltaic, which can increase photoelectric conversion efficiency by approximately 3.1%, compared to an aluminum substrate.

  6. Cracked structure-acoustic coupling problems by hybrid fractal FE and BE methods

    Institute of Scientific and Technical Information of China (English)

    吴国荣; 仲伟芳

    2004-01-01

    Evaluation of the sound-structure interaction is important for effective control of noise and vibration in structural acoustic systems. Cracked elastic structure-sound interaction problems are studied by employing the hybrid fractal FEM and BEM. The degrees of freedom of the system can be reduced greatly through adopting fractal FEM in discretizing the cracked elastic structure; while the exterior acoustic field is calculated by BEM, which automatically satisfies Sommerfeld's radiation condition. Numerical examples are given and show that the resonant frequencies of the structure-acoustic coupled system decrease as the depth of the crack increases, and that the crack has a significant effect on the acoustical field in the vicinity of the crack tip.

  7. Inside the structure of a nanocomposite electrolyte membrane: how hybrid particles get along with the polymer matrix.

    Science.gov (United States)

    Maréchal, M; Niepceron, F; Gebel, G; Mendil-Jakani, H; Galiano, H

    2015-02-21

    Hybrid materials remain the target for a fruitful range of investigations, especially for energy devices. A number of hybrid electrolyte membranes consisting of inorganic and organic phases were then synthesized. Mechanical, solvent uptake and ionic transport properties were studied with the key point being the characteristic length scale of the interaction between the phases. A group of nanocomposite membranes made of polystyrenesulfonic acid-grafted silica particles embedded in a Poly(Vinylidene Fluoride-co-HexaFluoroPropene) (PVdF-HFP) matrix was studied by combining neutron and X-ray scatterings on the nanometer to angstrom scale. This approach allows for the variation in the morphology and structure as a function of particle loading to be described. These studies showed that the particles aggregate with increasing particle loading and these aggregates swell, creating a physical interaction with the polymer matrix. Particle loadings lower than 30 wt% induce a slight strain between both of the subphases, namely the polymer matrix and the particles. This strain is decreased with particle loading between 20 and 30 wt% conjointly with the beginning of proton conduction. Then the percolation of the aggregates is the beginning of a significant increase of the conduction without any strain. This new insight can give information on the variation in other important intrinsic properties.

  8. Photodetectors Based on Two-Dimensional Layer-Structured Hybrid Lead Iodide Perovskite Semiconductors.

    Science.gov (United States)

    Zhou, Jiachen; Chu, Yingli; Huang, Jia

    2016-10-05

    Hybrid lead iodide perovskite semiconductors have attracted intense research interests recently because of their easy fabrication processes and high power conversion efficiencies in photovoltaic applications. Layer-structured materials have interesting properties such as quantum confinement effect and tunable band gap due to the unique two-dimensional crystalline structures. ⟨100⟩-oriented layer-structured perovskite materials are inherited from three-dimensional ABX3 perovskite materials with a generalized formula of (RNH3)2(CH3NH3)n-1MnX3n+1, and adopt the Ruddlesden-Popper type crystalline structure. Here we report the synthesis and investigation of three layer-structured perovskite materials with different layer numbers: (C4H9NH3)2PbI4 (n = 1, one-layered perovskite), (C4H9NH3)2(CH3NH3)Pb2I7 (n = 2, two-layered perovskite) and (C4H9NH3)2(CH3NH3)2Pb3I10 (n = 3, three-layered perovskite). Their photoelectronic properties were investigated in related to their molecular structures. Photodetectors based on these two-dimensional (2D) layer-structured perovskite materials showed tunable photoresponse with short response time in milliseconds. The photodetectors based on three-layered perovskite showed better performances than those of the other two devices, in terms of output current, responsivity, Ilight/Idark ratio, and response time, because of its smaller optical band gap and more condensed microstructure comparing the other two materials. These results revealed the relationship between the molecular structures, film microstructures and the photoresponse properties of 2D layer-structured hybrid perovskites, and demonstrated their potentials as flexible, functional, and tunable semiconductors in optoelectronic applications, by taking advantage of their tunable quantum well molecular structure.

  9. Structure of the body-centered cubic phase of lipid systems does not consist of indefinitely long straight rods

    OpenAIRE

    Luzzati, Vittorio; Tardieu, Annette; Gulik-Krzywicki, Tadeusz

    1981-01-01

    The observed intensities of the reflections from the body-centered cubic phase of lipid systems are shown to be incompatible with a recently reported model consisting of straight, indefinitely long rods.

  10. A new approach to sparse decomposition of nonstationary signals with multiple scale structures using self-consistent nonlinear waves

    Science.gov (United States)

    Young, Hsu-Wen Vincent; Hsu, Ke-Hsin; Pham, Van-Truong; Tran, Thi-Thao; Lo, Men-Tzung

    2017-09-01

    A new method for signal decomposition is proposed and tested. Based on self-consistent nonlinear wave equations with self-sustaining physical mechanisms in mind, the new method is adaptive and particularly effective for dealing with synthetic signals consisting of components of multiple time scales. By formulating the method into an optimization problem and developing the corresponding algorithm and tool, we have proved its usefulness not only for analyzing simulated signals, but, more importantly, also for real clinical data.

  11. Electronic structures of one-dimensional metal-molecule hybrid chains studied using scanning tunneling microscopy and density functional theory.

    Science.gov (United States)

    Chung, Kyung-Hoon; Koo, Bon-Gil; Kim, Howon; Yoon, Jong Keon; Kim, Ji-Hoon; Kwon, Young-Kyun; Kahng, Se-Jong

    2012-05-28

    The electronic structures of self-assembled hybrid chains comprising Ag atoms and organic molecules were studied using scanning tunneling microscopy (STM) and spectroscopy (STS) in parallel with density functional theory (DFT). Hybrid chains were prepared by catalytic breaking of Br-C bonds in 4,4″-dibromo-p-terphenyl molecules, followed by spontaneous formation of Ag-C bonds on Ag(111). An atomic model was proposed for the observed hybrid chain structures. Four electronic states were resolved using STS measurements, and strong energy dependence was observed in STM images. These results were explained using first-principles calculations based on DFT.

  12. Hybrid passive-active modal networks for structural acoustic control (Conference Presentation)

    Science.gov (United States)

    Cunefare, Kenneth A.; Lossouarn, Boris; Collet, Manuel

    2017-04-01

    Distributions of piezoelectric patches bonded to structures provide a means to alter or control, through active or passive means, the dynamic response of the host structure. Numerous active control schemes for such composite structures have been explored. Alternatively, for certain structures, a passive electrical network may be implemented which presents an electrical analog of the modal response of the structure, effectively providing a multi-modal, distributed passive tuned mass modal damper capability. Numerous tuned-mass damper design concepts ("tunings") may be applied to such a passive network. Further, the distributed network analog, when coupled with active control concepts, permits a hybrid distributed passive-active modal control capability. This paper explores this hybrid distributed network control concept applied to a clamped rectangular plate. A unit-cell discrete representation of the plate leads to an electrical analog comprised of passive inductors, transformers and resistors. Addition of synthetic (or controlled) impedances at a limited set of points within the network permits dynamic adjustment of the frequency response of the system.

  13. Synthesis of Metal-Oxide/Organic Hybrids: Structures, Bandgap Sizes, and Photocatalytic Activities

    Science.gov (United States)

    Luo, Lan

    Photocatalysis research has attracted intense current attention for the development of new sources of renewable energy from sunlight. Mixed-metal oxides that comprise an early transition metal (e.g., d0 electronic configuration) with a late transition metal(e.g., d10 electronic configuration) demonstrate significant promise in the red-shifting of the bandgap sizes of simpler metal oxides into the visible-light energy range, and for thus enabling visible-light driven photocatalysis. However, the lack of a significant molecular-level control over their structures and bonding limits the current synthetic abilities to prepare potentially more efficient photocatalysts. Metal-oxide/organic hybrids are materials containing both extended metaloxide connectivity and coordinating organic ligands. These materials have also been the focus of intense research owing to the molecular-level manipulation of their solid-state structures which can be used to control their physical properties, as has been previously applied in many other research areas. Research efforts herein are focused on the investigation of metal-oxide/organic hybrids and their structures, optical bandgap sizes, and photocatalytic properties. The approach to the photocatalysis research begins with the hydrothermal syntheses of specific hybrid materials that can fulfill the band-energy requirements for visible-light absorption through the use of mixed-metal systemswithd5 and d0or d10 and d0 electron configurations, specifically in the Mn(II)/V(V) and Cu(I)/Mo(VI) systems. Optical bandgap sizes were measured by UV-Vis diffuse reflectance spectroscopy and surfaces areas were characterized by BET measurements. The first measured photocatalytic activities for total water splitting and/or hydrogen production for hybrid oxide/organic materials were measured under both visible-light or ultraviolet irradiation in aqueous solutions. Optical bandgap size sand photocatalytic activities were strongly influenced by the

  14. Structural and mechanical properties of cellulose acetate/graphene hybrid nanofibers: Spectroscopic investigations

    Directory of Open Access Journals (Sweden)

    B. S. Kim

    2013-06-01

    Full Text Available Cellulose acetate/graphene (CA/graphene and cellulose acetate/graphene-COOH (CA/graphene-COOH hybrid nanofibers were fabricated via electrospinning technique, and their morphologies, crystallinity and mechanical properties were investigated. The added amounts of graphene and graphene-COOH were varied from 0.5 to 5.0 wt%. The crystal structures and morphologies of the resultant hybrid nanofibers were investigated by wide angle X-ray diffraction (WAXD, scanning electron microscopy (SEM and transmission electron microscopy (TEM, respectively. Graphene-COOH incorporated CA nanofiber mats showed higher Young’s modulus of about 910 MPa among than those of CA/graphene nanofibers, which is due to molecular interactions between –COOH groups in acid-treated graphene and C=O groups in CA via hydrogen bonding. This specific interaction was demonstrated by spectroscopic studies (Raman and Fourier transform infrared (FT-IR spectroscopies.

  15. Processing, structure and flexural strength of CNT and carbon fibre reinforced, epoxy-matrix hybrid composite

    Indian Academy of Sciences (India)

    K Chandra Shekar; M Sai Priya; P K Subramanian; Anil Kumar; B Anjaneya Prasad; N Eswara Prasad

    2014-05-01

    Advanced materials such as continuous fibre-reinforced polymer matrix composites offer significant enhancements in variety of properties, as compared to their bulk, monolithic counterparts. These properties include primarily the tensile stress, flexural stress and fracture parameters. However, till date, there are hardly any scientific studies reported on carbon fibre (Cf) and carbon nanotube (CNT) reinforced hybrid epoxy matrix composites (unidirectional). The present work is an attempt to bring out the flexural strength properties along with a detailed investigation in the synthesis of reinforced hybrid composite. In this present study, the importance of alignment of fibre is comprehensively evaluated and reported. The results obtained are discussed in terms of material characteristics, microstructure and mode of failure under flexural (3-point bend) loading. The study reveals the material exhibiting exceptionally high strength values and declaring itself as a material with high strength to weight ratio when compared to other competing polymer matrix composites (PMCs); as a novel structural material for aeronautical and aerospace applications.

  16. Theoretical investigation of the electronic structures and carrier transport of hybrid graphene and boron nitride nanostructure

    Directory of Open Access Journals (Sweden)

    Jia-Tao Sun

    2012-09-01

    graphene and hexagonal boron nitride (C-BN nanostructures receive much research interest due to the complementary electronic properties. Graphene is a zero-gap semiconductor, while hexagonal boron nitride (h-BN is a wide gap semiconductor. Here we studied the electronic structures and carrier transport of hybrid C-BN nanostructures by using first principles calculations and deformation potential theory. We have found that the physical quantities in these systems under study, band gap, effective mass, deformation potential, and carrier mobility, can be categorised into three different families depending on the width of graphene nanoribbon. This family behavior is similar to pristine armchair graphene nanoribbon, but with slight difference from the individual component. New opportunities of designing nanoelectric devices are discussed by utilizing the quantum confinement effect based on such kind of hybrid nanostructures.

  17. High Performance Ultraviolet Photodetector Fabricated with ZnO Nanoparticles-graphene Hybrid Structures

    Institute of Scientific and Technical Information of China (English)

    Jin-yang Liu; Xin-xin Yu; Guang-hui Zhang; Yu-kun Wu; Kun Zhang; Nan Pan; Xiao-ping Wang

    2013-01-01

    Ultraviolet (UV) photodetector constructed by ZnO material has attracted intense research and commercial interest.However,its photoresistivity and photoresonse are still unsatisfied.Herein,we report a novel method to assemble ZnO nanoparticles (NPs) onto the reduced graphite oxide (RGO) sheet by simple hydrothermal process without any surfactant.It is found that the high-quality crystallized ZnO NPs with the average diameter of 5 nm are well dispersed on the RGO surface,and the density of ZnO NPs can be readily controlled by the concentration of the precursor.The photodetector fabricated with this ZnO NPs-RGO hybrid structure demonstrates an excellent photoresponse for the UV irradiation.The results make this hybrid especially suitable as a novel material for the design and fabrication of high performance UV photodector.

  18. A hybrid approach to analyse a beam-soil structure under a moving random load

    Science.gov (United States)

    Si, L. T.; Zhao, Y.; Zhang, Y. H.; Kennedy, D.

    2016-11-01

    To study the stochastic response of a beam-soil structure under a moving random load, a hybrid approach based on the pseudo-excitation method and the wavelet method is proposed. Using the pseudo-excitation method, the non-stationary random vibration analysis is transformed into a conventional moving harmonic load problem. Analytical solutions of the power spectral density and standard deviation of vertical displacement are derived in an integral form. However, the integrand is singular and highly oscillatory, and the computational time is an important consideration because a large number of frequency points must be computed. To calculate the response accurately and efficiently, a wavelet approach is introduced. Numerical results show that the frequency band which brings the most significant response is dependent on the load velocity. The hybrid method provides a useful tool to estimate the ground vibration caused by traffic loads.

  19. A flexible and transparent graphene/ZnO nanorod hybrid structure fabricated by exfoliating a graphite substrate.

    Science.gov (United States)

    Nam, Gwang-Hee; Baek, Seong-Ho; Cho, Chang-Hee; Park, Il-Kyu

    2014-10-21

    We demonstrate the fabrication of a graphene/ZnO nanorod (NR) hybrid structure by mechanical exfoliation of ZnO NRs grown on a graphite substrate. We confirmed the existence of graphene sheets on the hybrid structure by analyzing the Raman spectra and current-voltage (I-V) characteristics. The Raman spectra of the exfoliated graphene/ZnO NR hybrid structure show G and 2D band peaks that are shifted to lower wavenumbers, indicating that the exfoliated graphene layer exists under a significant amount of strain. The I-V characteristics of the graphene/ZnO NR hybrid structure show current flow through the graphene layer, while no current flow is observed on the ZnO NR/polydimethylsiloxane (PDMS) composite without graphene, thereby indicating that the few-layer graphene was successfully transferred onto the hybrid structure. A piezoelectric nanogenerator is demonstrated by using the fabricated graphene/ZnO NR hybrid structure. The nanogenerator exhibits stable output voltage up to 3.04 V with alternating current output characteristics.

  20. Scan rate effect of titania for hybrid solar cell applications: Structural and electrical study

    Science.gov (United States)

    Khamsan, Muhammad Emmer Ashraf; Ghazali, Mohd Sabri Mohd; Salleh, Hasiah; Zakaria, Azmi; Ghazali, Salmah Mohd; Ahmad, Zakiyah; Aziz, M. S.

    2017-03-01

    The AIP In this research, hybrid solar cell are produce by a combination of organic (Areca Catechu) extraction and Poly (3-hexylthiophene) (P3HT) and inorganic Titanium Dioxide, TiO2 materials. These hybrid solar cells are fabricated accordingly by layered of ITO/TiO2/P3HT/Areca Catechu/Au by using electrochemical method. The deposition of each layered by EIS was different by varied the scan rate of TiO2 deposition which are 0.05, 0.07, 0.09 and 0.11 vs-1 whereas the number of scans of each layers are fixed to 5 numbers of scans. Nanocrystals TiO2 (anatase structured) was prepared by dissolving the TiO2 nanoparticles with acetic acid which acts as capping agent in order to gain TiO2 nanostructures with better-controlled size and shape. Field Emission Scanning Electron Microscope (FESEM) images indicates that the TiO2 nanoparticles size was found to be around 15-34 nm. The XRD patterns indicate that the TiO2 film was highly crystalline and the anatase structure of TiO2 remains unchanged after annealed process took place at 450 °C. Sheet resistivity of the ITO/TiO2/P3HT/Areca Catechu/Au hybrid solar cell are measured in the dark and under different light intensity by using four point probes and power conversion efficiency are measured by using two point probes. In conclusion, the ITO/TiO2/P3HT/Areca Catechu/Au hybrid solar cell with 0.07 v s-1 scan rate produced the highest electrical conductivity and efficiency with 0.278 Scm-1 and 0.021 % respectively.

  1. Joining of Metal-Plastics-Hybrid Structures Using Laser Radiation by Considering the Surface Structure of the Metal

    Directory of Open Access Journals (Sweden)

    Christian Hopmann

    2016-01-01

    Full Text Available Lightweight construction is a central technology in today’s industrial production. One way to achieve the climate goals is the production of hybrid compounds of metal and plastic. The manufacturing process for these hybrid parts can be divided into in-mold assembly and postmold assembly. The postmold assembly includes thermal joining by laser, which is applied in the context of this paper. For the investigations, four plastics (MABS, PA6.6-GF35, PP, and PC, which differ in their properties, and three metals (unalloyed steel, stainless steel, and aluminum are combined and analyzed. These materials have been used, since they have a huge significance in the automotive industry. Preliminary studies showed that an adhesive bond between the two materials is achieved using metal with a structured surface. According to these studies, three structuring processes for metals (selective laser melting (SLM, NRX, and a welded metallic tissue are tested. The quality of the material/structure combinations is tested in tensile-shear-tests, microscopy images, and alternating climate tests. Compounds with SLM-Structure achieve highest strength, while compounds with aluminum are much more complex to manufacture.

  2. Formation of lower-hybrid solitary structures by modulational interaction between lower-hybrid and dispersive Alfvén waves

    Directory of Open Access Journals (Sweden)

    J. O. Hall

    2009-03-01

    Full Text Available We investigate the possibility that lower-hybrid solitary structures (LHSS, which are frequently observed in the Earth's ionosphere and magnetosphere, are formed as a result of a modulational interaction between lower-hybrid and dispersive Alfvén waves of initially small amplitude. A large amplitude lower-hybrid pump wave can excite density structures with length scales transverse to the geomagnetic field of the order of the ion gyroradius via a modulational instability. The structure formation in the nonlinear stage of the instability is investigated by numerical solutions of the governing equations, using plasma parameters relevant for LHSS observations in the upper ionosphere and in the magnetosphere. The numerical solutions reveal that the lower-hybrid waves become self-localized inside cylindrically symmetric (with respect to the ambient magnetic field density cavities, in qualitative agreement with observations. Our model includes thermal electron effects but shows no stabilization at the ion sound gyroradius, suggesting that any preference of observed LHSS for that perpendicular scale likely is due to processes arresting the cavity collapse.

  3. Hemolysin coregulated protein 1 as a molecular gluing unit for the assembly of nanoparticle hybrid structures

    Directory of Open Access Journals (Sweden)

    Tuan Anh Pham

    2016-03-01

    Full Text Available Hybrid nanoparticle (NP structures containing organic building units such as polymers, peptides, DNA and proteins have great potential in biosensor and electronic applications. The nearly free modification of the polymer chain, the variation of the protein and DNA sequence and the implementation of functional moieties provide a great platform to create inorganic structures of different morphology, resulting in different optical and magnetic properties. Nevertheless, the design and modification of a protein structure with functional groups or sequences for the assembly of biohybrid materials is not trivial. This is mainly due to the sensitivity of its secondary, tertiary and quaternary structure to the changes in the interaction (e.g., hydrophobic, hydrophilic, electrostatic, chemical groups between the protein subunits and the inorganic material. Here, we use hemolysin coregulated protein 1 (Hcp1 from Pseudomonas aeruginosa as a building and gluing unit for the formation of biohybrid structures by implementing cysteine anchoring points at defined positions on the protein rim (Hcp1_cys3. We successfully apply the Hcp1_cys3 gluing unit for the assembly of often linear, hybrid structures of plasmonic gold (Au NP, magnetite (Fe3O4 NP, and cobalt ferrite nanoparticles (CoFe2O4 NP. Furthermore, the assembly of Au NPs into linear structures using Hcp1_cys3 is investigated by UV–vis spectroscopy, TEM and cryo-TEM. One key parameter for the formation of Au NP assembly is the specific ionic strength in the mixture. The resulting network-like structure of Au NPs is characterized by Raman spectroscopy, showing surface-enhanced Raman scattering (SERS by a factor of 8·104 and a stable secondary structure of the Hcp1_cys3 unit. In order to prove the catalytic performance of the gold hybrid structures, they are used as a catalyst in the reduction reaction of 4-nitrophenol showing similar catalytic activity as the pure Au NPs. To further extend the

  4. Hybrid Structure of the Type 1 Pilus of Uropathogenic Escherichia coli.

    Science.gov (United States)

    Habenstein, Birgit; Loquet, Antoine; Hwang, Songhwan; Giller, Karin; Vasa, Suresh Kumar; Becker, Stefan; Habeck, Michael; Lange, Adam

    2015-09-28

    Type 1 pili are filamentous protein assemblies on the surface of Gram-negative bacteria that mediate adhesion to host cells during the infection process. The molecular structure of type 1 pili remains elusive on the atomic scale owing to their insolubility and noncrystallinity. Herein we describe an approach for hybrid-structure determination that is based on data from solution-state NMR spectroscopy on the soluble subunit and solid-state NMR spectroscopy and STEM data on the assembled pilus. Our approach is based on iterative modeling driven by structural information extracted from different sources and provides a general tool to access pseudo atomic structures of protein assemblies with complex subunit folds. By using this methodology, we determined the local conformation of the FimA pilus subunit in the context of the assembled type 1 pilus, determined the exact helical pilus architecture, and elucidated the intermolecular interfaces contributing to pilus assembly and stability with atomic detail.

  5. A hybrid structure for the storage and manipulation of very large spatial data sets

    Science.gov (United States)

    Peuquet, Donna J.

    1982-01-01

    The map data input and output problem for geographic information systems is rapidly diminishing with the increasing availability of mass digitizing, direct spatial data capture and graphics hardware based on raster technology. Although a large number of efficient raster-based algorithms exist for performing a wide variety of common tasks on these data, there are a number of procedures which are more efficiently performed in vector mode or for which raster mode equivalents of current vector-based techniques have not yet been developed. This paper presents a hybrid spatial data structure, named the ?vaster' structure, which can utilize the advantages of both raster and vector structures while potentially eliminating, or greatly reducing, the need for raster-to-vector and vector-to-raster conversion. Other advantages of the vaster structure are also discussed.

  6. Residual stress and electromagnetic characteristics in loop type frequency selective surface embedded hybrid structures

    Energy Technology Data Exchange (ETDEWEB)

    Park, Kyung Mi; Seo, Yun Seok; Chun, Heoung Jae [Yonsei University, Seoul (Korea, Republic of); Hong, Ik Pyo [Kongju National University, Cheonan (Korea, Republic of); Park, Yong Bae [Ajoo University, Suwon (Korea, Republic of); Kim, Yoon Jae [Agency for defense development, Daejeon (Korea, Republic of)

    2015-01-15

    Residual stresses occur in frequency-selective surface (FSS)-embedded composite structures after co-curing due to differences between the coefficients of thermal expansion between composite skins and FSSs. Furthermore, the electromagnetic characteristics may be affected by the deformation of the FSS pattern by residual stresses. Therefore, we studied the changes in electromagnetic characteristics due to the deformation of FSS, using residual stresses to deform loop-type FSS-embedded hybrid composites. We considered the effects of loop-type FSS patterns of equal dimension as well as the stacking sequences of composite laminates on the electromagnetic characteristics of FSSs: Square loop, triangular loop and circular loop. The stacking sequences of composite laminates considered in this study were [0]{sub 8}, [0/90]{sub 4}, [+-45]{sub 4} and [0/+-45/90]{sub 2}. The FSS was located between composite laminates in the middle plane. To determine the residual stresses and deformations in the FSS embedded laminate structures, the thermal loading condition in the finite element analysis was induced by cooling the hybrid structures from 125 .deg. C to 20 .deg. C based on the cure cycle of the composite. Also, the electromagnetic reflection characteristics of the hybrid structures were predicted using deformed models by residual stresses, considering the effects of stacking sequence of composite laminates. The results showed that the maximum residual stresses and deformations were produced in the [0]{sub 8} composites with all three loop-types of FSS pattern. However, the maximum resonance frequency shifts occurred in the square and triangle loop-types with stacking sequence of [0]{sub 8} , while the maximum resonance frequency shift occurred in the circular loop-type with stacking sequence of [0/+-45/90]{sub 2}.

  7. Morphology dependent two photon absorption in plasmonic structures and plasmonic-organic hybrids

    Science.gov (United States)

    Gambhir, Kaweri; Ray, Bhumika; Mehrotra, Ranjana; Sharma, Parag

    2017-05-01

    Two photon absorption coefficients of two distinct plasmonic structures, namely, gold nanoflowers (GNF) and gold nanopebbles (GNP) have been investigated and compared with conventional gold nanospheres (GNS). All three different nanoshapes were synthesized by changing the reaction solvent under the same experimental procedure. Further, hybrids of these plasmonic structures were prepared with an organic dye Eosin yellow (EY), to investigate the morphology effect of plasmonic structures on plasmonic-organic hybrids in terms of their linear extinction spectra and two photon absorption coefficients. The NLO investigations were conducted using 20 ps laser pulses of wavelength 532 nm as an excitation source in single beam Z-scan setup. UV/visible spectroscopy was employed for monitoring plasmon resonances and changes in linear extinction spectra. The experimental outcomes revealed two photon absorption coefficients of EY increased 120%, 32% and 39%, while 69%, 60% and 53% enhancement in the peaks of linear extinction maxima of EY has been observed, when hybridized with GNF, GNS and GNP, respectively. This boost in the optical coefficients may be attributed to dimerization of EY molecules on the surface of nanoparticles. Keeping the toxicity of EY in view, we propose that the two photon absorption coefficients of this dye and control thereof, by the addition of plasmonic structures would be helpful not only in understanding the interactions between plasmons and fluorophore, but also pave an efficient way, to reduce the operative concentration of this hazardous dye in a wide range of applications and thereby, mitigating the environmental degradation caused by its highly concentrated effluents.

  8. Interface engineering in inorganic hybrid structures towards improved photocatalysis (Conference Presentation)

    Science.gov (United States)

    Xiong, Yujie

    2016-10-01

    Designing new photocatalytic materials for improving photoconversion efficiency is a promising route to alleviate the steadily worsening environmental issues and energy crisis. Despite the invention of a large number of catalytic materials with well-defined structures, their overall efficiency in photocatalysis is still quite limited as the three key steps - light harvesting, charge generation and separation, and charge transfer to surface for redox reactions - have not been substantially improved. To improve each step in the complex process, there is a major trend to develop materials based on inorganic hybrid structures. In this case, interface engineering holds the promise for boosting the overall efficiency, given the key roles of interface structures in charge and energy transfer. In this talk, I will demonstrate several different approaches to designing inorganic hybrid structures with improved photocatalytic performance via interface engineering. The typical demonstrations include semiconductor-plasmonics systems for broad-spectrum light harvesting, metal-semiconductor interfaces for improved charge separation, semiconductor-MOF (metal-organic framework) configurations for activated surface reactions. It is anticipated that this series of works open a new window to rationally designing inorganic hybrid materials for photo-induced applications. References: (1) Bai, S.; Yang, L.; Wang, C.; Lin, Y.; Lu, J.; Jiang, J. and Xiong, Y.*, Angew. Chem. Int. Ed. 54, 14810-14814 (2015). (2) Bai, S.; Jiang, J.; Zhang, Q. and Xiong, Y.*, Chem. Soc. Rev. 44, 2893-2939 (2015). (3) Bai, S.; Li, X.; Kong, Q.; Long, R.; Wang, C.; Jiang, J. and Xiong, Y.*, Adv. Mater. 27, 3444-3452 (2015). (4) Bai, S.; Ge, J.; Wang, L.; Gong, M.; Deng, M.; Kong, Q.; Song, L.; Jiang, J.;* Zhang, Q.;* Luo, Y.; Xie, Y. and Xiong, Y.*, Adv. Mater. 26, 5689-5695 (2014). (5) Li, R.; Hu, J.; Deng, M.; Wang, H.; Wang, X.; Hu, Y.; Jiang, H. L.; Jiang, J.;* Zhang, Q.;* Xie, Y. and Xiong, Y.*, Adv. Mater

  9. On hydrophilicity improvement of the porous anodic alumina film by hybrid nano/micro structuring

    Science.gov (United States)

    Wang, Weichao; Zhao, Wei; Wang, Kaige; Wang, Lei; Wang, Xuewen; Wang, Shuang; Zhang, Chen; Bai, Jintao

    2017-09-01

    In both, laboratory and industry, tremendous attention is paid to discover an effective technique to produce uniform, controllable and (super) hydrophilic surfaces over large areas that are useful in a wide range of applications. In this investigation, by combing porous anodic alumina (PAA) film with nano-structures and microarray of aluminum, the hydrophilicity of hybrid nano-micro structure has been significantly improved. It is found some factors can affect the hydrophilicity of film, such as the size and aspect ratio of microarray, the thickness of nano-PAA film etc. Comparing with pure nano-PAA films and microarray, the hybrid nano-micro structure can provide uniform surface with significantly better hydrophilicity. The improvement can be up to 84%. Also, this technique exhibits good stability and repeatability for industrial production. By optimizing the thickness of nano-PAA film and aspect ratio of micro-structures, super-hydrophilicity can be reached. This study has obvious prospect in the fields of chemical industry, biomedical engineering and lab-on-a-chip applications.

  10. Fabrication of Nano-Micro Hybrid Structures by Replication and Surface Treatment of Nanowires

    Directory of Open Access Journals (Sweden)

    Yeonho Jeong

    2017-07-01

    Full Text Available Nanowire structures have attracted attention in various fields, since new characteristics could be acquired in minute regions. Especially, Anodic Aluminum Oxide (AAO is widely used in the fabrication of nanostructures, which has many nanosized pores and well-organized nano pattern. Using AAO as a template for replication, nanowires with a very high aspect ratio can be fabricated. Herein, we propose a facile method to fabricate a nano-micro hybrid structure using nanowires replicated from AAO, and surface treatment. A polymer resin was coated between Polyethylene terephthalate (PET and the AAO filter, roller pressed, and UV-cured. After the removal of aluminum by using NaOH solution, the nanowires aggregated to form a micropattern. The resulting structure was subjected to various surface treatments to investigate the surface behavior and wettability. As opposed to reported data, UV-ozone treatment can enhance surface hydrophobicity because the UV energy affects the nanowire surface, thus altering the shape of the aggregated nanowires. The hydrophobicity of the surface could be further improved by octadecyltrichlorosilane (OTS coating immediately after UV-ozone treatment. We thus demonstrated that the nano-micro hybrid structure could be formed in the middle of nanowire replication, and then, the shape and surface characteristics could be controlled by surface treatment.

  11. Electronic structure modeling of InAs/GaSb superlattices with hybrid density functional theory

    Science.gov (United States)

    Garwood, T.; Modine, N. A.; Krishna, S.

    2017-03-01

    The application of first-principles calculations holds promise for greatly improving our understanding of semiconductor superlattices. Developing a procedure to accurately predict band gaps using hybrid density functional theory lays the groundwork for future studies investigating more nuanced properties of these structures. Our approach allows a priori prediction of the properties of SLS structures using only the band gaps of the constituent materials. Furthermore, it should enable direct investigation of the effects of interface structure, e.g., intermixing or ordering at the interface, on SLS properties. In this paper, we present band gap data for various InAs/GaSb type-II superlattice structures calculated using the generalized Kohn-Sham formulation of density functional theory. A PBE0-type hybrid functional was used, and the portion of the exact exchange was tuned to fit the band gaps of the binary compounds InAs and GaSb with the best agreement to bulk experimental values obtained with 18% of the exact exchange. The heterostructures considered in this study are 6 monolayer (ML) InAs/6 ML GaSb, 8 ML InAs/8 ML GaSb and 10 ML InAs/10 ML GaSb with deviations from the experimental band gaps ranging from 3% to 11%.

  12. Analysis and experimental validation of the middle-frequency vibro-acoustic coupling property for aircraft structural model based on the wave coupling hybrid FE-SEA method

    Science.gov (United States)

    Yan, Yunju; Li, Pengbo; Lin, Huagang

    2016-06-01

    The finite element (FE) method is suitable for low frequency analysis and the statistical energy analysis (SEA) for high frequency analysis, but the vibro-acoustic coupling analysis at middle frequency, especially with a certain range of uncertainty system, requires some new methods. A hybrid FE-SEA method is proposed in this study and the Monte Carlo method is used to check the hybrid FE-SEA method through the energy response analysis of a beam-plate built-up structure with some uncertainty, and the results show that two kinds of calculation results match well consistently. Taking the advantage of the hybrid FE-SEA method, the structural vibration and the cabin noise field responses under the vibro-acoustic coupling for an aircraft model are numerically analyzed, and, also, the corresponding experiment is carried out to verify the simulated results. Results show that the structural vibration responses at low frequency accord well with the experiment, but the error at high frequency is greater. The error of sound pressure response level in cabin throughout the spectrum is less than 3 dB. The research proves the reliability of the method proposed in this paper. This indicates that the proposed method can overcome the strict limitations of the traditional method for a large complex structure with uncertainty factors, and it can also avoid the disadvantages of solving complex vibro-acoustic system using the finite element method or statistical energy analysis in the middle frequency.

  13. Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.

    Science.gov (United States)

    Stoumpos, Constantinos C; Mao, Lingling; Malliakas, Christos D; Kanatzidis, Mercouri G

    2017-01-03

    The present study deals with the structural characterization and classification of the novel compounds 1-8 into perovskite subclasses and proceeds in extracting the structure-band gap relationships between them. The compounds were obtained from the employment of small, 3-5-atom-wide organic ammonium ions seeking to discover new perovskite-like compounds. The compounds reported here adopt unique or rare structure types akin to the prototype structure perovskite. When trimethylammonium (TMA) was employed, we obtained TMASnI3 (1), which is our reference compound for a "perovskitoid" structure of face-sharing octahedra. The compounds EASnI3 (2b), GASnI3 (3a), ACASnI3 (4), and IMSnI3 (5) obtained from the use of ethylammonium (EA), guanidinium (GA), acetamidinium (ACA), and imidazolium (IM) cations, respectively, represent the first entries of the so-called "hexagonal perovskite polytypes" in the hybrid halide perovskite library. The hexagonal perovskites define a new family of hybrid halide perovskites with a crystal structure that emerges from a blend of corner- and face-sharing octahedral connections in various proportions. The small organic cations can also stabilize a second structural type characterized by a crystal lattice with reduced dimensionality. These compounds include the two-dimensional (2D) perovskites GA2SnI4 (3b) and IPA3Sn2I7 (6b) and the one-dimensional (1D) perovskite IPA3SnI5 (6a). The known 2D perovskite BA2MASn2I7 (7) and the related all-inorganic 1D perovskite "RbSnF2I" (8) have also been synthesized. All compounds have been identified as medium-to-wide-band-gap semiconductors in the range of Eg = 1.90-2.40 eV, with the band gap progressively decreasing with increased corner-sharing functionality and increased torsion angle in the octahedral connectivity.

  14. Pearl-necklace structures in core-shell molecular brushes: Experiments, Monte Carlo simulations and self-consistent field modeling

    NARCIS (Netherlands)

    Polotsky, A.; Charlaganov, M.; Xu, Y.P.; Leermakers, F.A.M.; Daoud, M.; Muller, A.H.E.; Dotera, T.; Borisov, O.V.

    2008-01-01

    We present theoretical arguments and experimental evidence for a longitudinal instability in core-shell cylindrical polymer brushes with a solvophobic inner (core) block and a solvophilic outer (shell) block in selective solvents. The two-gradient self-consistent field Scheutjens-Fleer (SCF-SF)

  15. Characterization of the structural and protein recognition properties of hybrid PNA-DNA four-way junctions.

    Science.gov (United States)

    Iverson, Douglas; Serrano, Crystal; Brahan, Ann Marie; Shams, Arik; Totsingan, Filbert; Bell, Anthony J

    2015-12-01

    The objective of this study is to evaluate the structure and protein recognition properties of hybrid four-way junctions (4WJs) composed of DNA and peptide nucleic acid (PNA) strands. We compare a classic immobile DNA junction, J1, vs. six PNA-DNA junctions, including a number with blunt DNA ends and multiple PNA strands. Circular dichroism (CD) analysis reveals that hybrid 4WJs are composed of helices that possess structures intermediate between A- and B-form DNA, the apparent level of A-form structure correlates with the PNA content. The structure of hybrids that contain one PNA strand is sensitive to Mg(+2). For these constructs, the apparent B-form structure and conformational stability (Tm) increase in high Mg(+2). The blunt-ended junction, b4WJ-PNA3, possesses the highest B-form CD signals and Tm (40.1 °C) values vs. all hybrids and J1. Protein recognition studies are carried out using the recombinant DNA-binding protein, HMGB1b. HMGB1b binds the blunt ended single-PNA hybrids, b4WJ-PNA1 and b4WJ-PNA3, with high affinity. HMGB1b binds the multi-PNA hybrids, 4WJ-PNA1,3 and b4WJ-PNA1,3, but does not form stable protein-nucleic acid complexes. Protein interactions with hybrid 4WJs are influenced by the ratio of A- to B-form helices: hybrids with helices composed of higher levels of B-form structure preferentially associate with HMGB1b.

  16. Analysis of binding behavior between dynamic structures of a papain and the peptide consisting of 10 GLY residues

    Science.gov (United States)

    Nishiyama, Katsuhiko

    2010-07-01

    The binding of 10GLY to dynamic structures of papain was investigated by molecular dynamics and docking simulations. The binding free energies and sites were greatly fluctuated depending on the time and the binding was more stable and existed at the near site of active center when the structural changes in the highly flexible residues in papain were larger. Binding stability and sites would be significantly influenced by the highly flexible residues. Analysis of such residues would provide an important guideline for clarification of enzymatic activities and modification of structural dynamics of such residues would allow us to control enzymatic activities.

  17. Quasiparticle self-consistent GW calculations for PbS, PbSe, and PbTe: Band structure and pressure coefficients

    DEFF Research Database (Denmark)

    Svane, Axel; Christensen, Niels Egede; Cardona,, M.

    2010-01-01

    The electronic band structures of PbS, PbSe, and PbTe in the rocksalt structure are calculated with the quasiparticle self-consistent GW (QSGW) approach with spin-orbit coupling included. The semiconducting gaps and their deformation potentials as well as the effective masses are obtained. The GW...

  18. Gold conjugate-based liposomes with hybrid cluster bomb structure for liver cancer therapy.

    Science.gov (United States)

    Zhang, Ning; Chen, Huan; Liu, Ai-Yun; Shen, Jia-Jia; Shah, Vishva; Zhang, Can; Hong, Jin; Ding, Ya

    2016-01-01

    Hybrid drug delivery system containing both organic and inorganic nanocarriers is expected to achieve its complementary advantages for the aim of improving the performance of antineoplastic drugs in tumor therapy. Here we report the use of liposomes and gold nanoparticles to construct a liposome with a hybrid Cluster Bomb structure and discuss its unique multi-order drug release property for liver tumor treatment. A very simple method is used for the hybrid liposome preparation and involves mixing two solutions containing liposomes loaded with either non-covalent or covalent Paclitaxel (PTX, namely free PTX or PTX-conjugated GNPs, respectively) by different ratio of volume (25:75, 50:50, 25:75, v/v). Various mixed liposomes were tested to determine the optimal conditions for maximum drug delivery. The optimized liposome was then tested using xenograft Heps tumor-bearing mice and showed the best efficacy for chemotherapeutic inhibition of tumor at PTX liposome: PTX-conjugated GNP liposome of 25:75 ratio (v/v). This system allows for simple and easy preparation while providing a more accurate site- and time-release mode for tumor treatment using antitumor drugs.

  19. Convection Destroys the Core/Mantle Structure in Hybrid C/O/Ne White Dwarfs

    CERN Document Server

    Brooks, Jared; Bildsten, Lars; Quataert, Eliot; Paxton, Bill

    2016-01-01

    A hybrid C/O/Ne white dwarf (WD) -- an unburned C/O core surrounded by an O/Ne/Na mantle -- can be formed if the carbon flame is quenched in a super-AGB (SAGB) star or white dwarf merger remnant. We show that this segregated hybrid structure becomes unstable to rapid mixing within 2,000 years of the onset of WD cooling. Carbon burning includes a weak reaction that removes electrons, resulting in a lower electron-to-baryon ratio ($Y_{\\rm e}$) in the regions processed by carbon burning compared to the unburned C/O core, making the O/Ne mantle denser than the C/O core as the WD cools. This is unstable to efficient mixing. We use the results of $\\texttt{MESA}$ models with different size C/O cores to quantify the rate at which the cores mix with the mantle as they cool. In all cases, we find that the WDs undergo significant core/mantle mixing on timescales shorter than the time available to grow the WD to the Chandrasekhar mass ($M_{\\rm Ch}$) by accretion. As a result, hybrid WDs that reach $M_{\\rm Ch}$ due to lat...

  20. Hybrid Numerical Solvers for Massively Parallel Eigenvalue Computation and Their Benchmark with Electronic Structure Calculations

    CERN Document Server

    Imachi, Hiroto

    2015-01-01

    Optimally hybrid numerical solvers were constructed for massively parallel generalized eigenvalue problem (GEP).The strong scaling benchmark was carried out on the K computer and other supercomputers for electronic structure calculation problems in the matrix sizes of M = 10^4-10^6 with upto 105 cores. The procedure of GEP is decomposed into the two subprocedures of the reducer to the standard eigenvalue problem (SEP) and the solver of SEP. A hybrid solver is constructed, when a routine is chosen for each subprocedure from the three parallel solver libraries of ScaLAPACK, ELPA and EigenExa. The hybrid solvers with the two newer libraries, ELPA and EigenExa, give better benchmark results than the conventional ScaLAPACK library. The detailed analysis on the results implies that the reducer can be a bottleneck in next-generation (exa-scale) supercomputers, which indicates the guidance for future research. The code was developed as a middleware and a mini-application and will appear online.

  1. Low temperature hydrogen sensing using reduced graphene oxide and tin oxide nanoflowers based hybrid structure

    Science.gov (United States)

    Venkatesan, A.; Rathi, Servin; Lee, In-Yeal; Park, Jinwoo; Lim, Dongsuk; Kim, Gil-Ho; Kannan, E. S.

    2016-12-01

    In this paper, we have demonstrated a low temperature hydrogen (H2) sensor based on reduced graphene oxide (rGO) and tin oxide nanoflowers (SnO2 NFs) hybrid composite film. The addition of SnO2 NFs into rGO solution inhibits irreversible restacking and agglomeration of rGO and increases the active surface area for interaction with H2. This rGO-SnO2 NFs hybrid film sensor showed an excellent response to H2 at 60 °C at 200 ppm with an improvement of 126% compared to pure rGO which was used as a control sample. The sensor also showed good response and recovery time in comparison to pure rGO film. The highly improved H2 sensing characteristics of rGO-SnO2 NFs hybrid are due to its (a) unique structural geometry that increased the surface area for H2 adsorption, and (b) change in the width of depletion layer at the interface due to H2 interaction.

  2. Damping characteristics of active-passive hybrid constrained-layer treated beam structures

    Science.gov (United States)

    Liu, Yanning; Wang, Kon-Well

    2000-04-01

    A new configuration of surface damping treatments, Active- Passive Hybrid Constrained Layer (HCL) damping, is analyzed and experimentally investigated. The purpose is to improve the performance of the current active constrained layer (ACL) and passive constrained layer (PCL) treatments by mixing passive and active materials in the constraining layer. In HCL, the viscoelastic material is constrained by an active-passive hybrid constraining layer -- the active part is made of PZT ceramics, and the passive part can be selected by the designer to meet different requirements, such as higher damping performance or lighter weight. The active and passive constraining parts are mechanically connected such that the displacement and force are continuous at the connecting surface, but are isolated electrically so the passive constraining part will not affect the function of its active counterpart. Following a generic study of the HCL concept by the authors earlier, the purpose of this paper is to illustrate and validate the HCL performance through both numerical and experimental investigations on a beam structure. The governing equations and boundary conditions of an HCL treated beam are derived and a finite element model is formulated. Tabletop tests with cantilever beam specimens are used for the experimental study. The new hybrid constrained layer is found to have the advantages of both ACL and PCL. By selecting a stiffer passive constraining material and an optimal active-to-passive length ratio, the HCL can achieve better closed-loop and open-loop performances than the treatment with a pure active constraining layer.

  3. Nearest-neighbor sp3s* tight-binding parameters based on the hybrid quasi-particle self-consistent GW method verified by modeling of type-II superlattices

    Science.gov (United States)

    Sawamura, Akitaka; Otsuka, Jun; Kato, Takashi; Kotani, Takao

    2017-06-01

    We report the determination of parameters for the nearest-neighbor sp3s* tight-binding (TB) model for GaP, GaAs, GaSb, InP, InAs, and InSb at 0, 77, and 300 K based on the hybrid quasi-particle self-consistent GW (QSGW) calculation and their application to a type II (InAs)/(GaSb) superlattice. The effects of finite temperature have been incorporated empirically by adjusting the parameter for blending the exchange-correlation terms of the pure QSGW method and local density approximation, in addition to the usage of experimental lattice parameters. As expected, the TB band gap shrinks with temperature and asymptotically with superlattice period when it is large. In addition, a bell curve in the band gap in the case of small superlattice period and slight and remarkable anisotropy in effective masses of electron and hole, both predicted by the hybrid QSGW method, respectively, are reproduced.

  4. Genetic structure, introgression, and a narrow hybrid zone between northern and California spotted owls (Strix occidentalis).

    Science.gov (United States)

    Barrowclough, G F; Groth, J G; Mertz, L A; Gutiérrez, R J

    2005-04-01

    The northern spotted owl (Strix occidentalis caurina) is a threatened subspecies and the California spotted owl (Strix occidentalis occidentalis) is a subspecies of special concern in the western United States. Concern for their continued viability has arisen because of habitat loss caused by timber harvesting. The taxonomic status of the northern subspecies has been the subject of continuing controversy. We investigated the phylogeographical and population genetic structure of northern and California spotted owls with special reference to their region of contact. Mitochondrial DNA (mtDNA) control region sequences confirmed the existence of two well-differentiated lineages connected by a narrow hybrid zone in a region of low population density in north central California. Maximum-likelihood estimates indicated bidirectional gene flow between the lineages but limited introgression outside the region of contact. The lengths of both the mtDNA hybrid zone and the reduced density patch were similar and slightly exceeded estimates of natal dispersal distances. This suggests that the two subspecies were in secondary contact in a hybrid zone trapped by a population density trough. Consequently, the zone of interaction is expected to be geographically stable. We discovered a third, rare clade of haplotypes, which we interpreted to be a result of incomplete lineage sorting; those haplotypes result in a paraphyletic northern spotted owl with respect to the California spotted owl. A congeneric species, the barred owl (Strix varia), occasionally hybridizes with spotted owls; our results indicated an upper bound for the frequency of barred owl mtDNA haplotypes in northern spotted owl populations of 3%.

  5. Hierarchically structured monolithic silicalite-1 consisting of crystallized nanoparticles and its performance in the Beckmann rearrangement of cyclohexanone oxime.

    Science.gov (United States)

    Li, Wen-Cui; Lu, An-Hui; Palkovits, Regina; Schmidt, Wolfgang; Spliethoff, Bernd; Schüth, Ferdi

    2005-09-14

    In this study, we present a synthetic pathway for the fabrication of self-supporting zeolite monoliths consisting of crystallized nanoparticles. A resorcinol-formaldehyde-based organic aerogel is used as a template, and silicalite-1 is used as the zeolite example. The silicalite-1 monoliths obtained consist of individual well-defined zeolite nanocrystals with sizes of 30-40 nm. The monoliths exhibit a high mechanical stability and have hierarchical porosity, with micropores within the zeolite particles, a mesopore system formed by the packing of the nanoparticles, and a macropore system on the monolith level. Such monolithic zeolites show high selectivity typically above 80% to epsilon-caprolactam combined with a high rate of reaction of 0.46 g(caprolactame)/(g(catalyst).h) in the Beckmann rearrangement of cyclohexanone oxime.

  6. Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package

    Science.gov (United States)

    Womack, James C.; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

    2016-11-01

    Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

  7. Directing Hybrid Structures by Combining Self-Assembly of Functional Block Copolymers and Atomic Layer Deposition: A Demonstration on Hybrid Photovoltaics.

    Science.gov (United States)

    Moshonov, Moshe; Frey, Gitti L

    2015-11-24

    The simplicity and versatility of block copolymer self-assembly offers their use as templates for nano- and meso-structured materials. However, in most cases, the material processing requires multiple steps, and the block copolymer is a sacrificial building block. Here, we combine a self-assembled block copolymer template and atomic layer deposition (ALD) of a metal oxide to generate functional hybrid films in a simple process with no etching or burning steps. This approach is demonstrated by using the crystallization-induced self-assembly of a rod-coil block copolymer, P3HT-b-PEO, and the ALD of ZnO. The block copolymer self-assembles into fibrils, ∼ 20 nm in diameter and microns long, with crystalline P3HT cores and amorphous PEO corona. The affinity of the ALD precursors to the PEO corona directs the exclusive deposition of crystalline ZnO within the PEO domains. The obtained hybrid structure possesses the properties desired for photovoltaic films: donor-acceptor continuous nanoscale interpenetrated networks. Therefore, we integrated the films into single-layer hybrid photovoltaics devices, thus demonstrating that combining self-assembly of functional block copolymers and ALD is a simple approach to direct desired complex hybrid morphologies.

  8. Ribbon structure stabilized by C10 and C12 turns in αγ hybrid peptide.

    Science.gov (United States)

    Wani, Naiem Ahmad; Kant, Rajni; Gupta, Vivek Kumar; Aravinda, Subrayashastry; Rai, Rajkishor

    2016-04-01

    The present study describes the synthesis and crystallographic analysis of αγ hybrid peptides, Boc-Gpn-L-Pro-NHMe (1), Boc-Aib-Gpn-L-Pro-NHMe (2), and Boc-L-Pro-Aib-Gpn-L-Pro-NHMe (3). Peptides 1 and 2 adopt expanded 12-membered (C12 ) helical turn over γα segment. Peptide 3 promotes the ribbon structure stabilized by type II β-turn (C10 ) followed by the expanded C12 helical γα turn. Both right-handed and left-handed helical conformations for Aib residue are observed in peptides 2 and 3, respectively.

  9. Flexible solid-state supercapacitors based on carbon nanoparticles/MnO2 nanorods hybrid structure.

    Science.gov (United States)

    Yuan, Longyan; Lu, Xi-Hong; Xiao, Xu; Zhai, Teng; Dai, Junjie; Zhang, Fengchao; Hu, Bin; Wang, Xue; Gong, Li; Chen, Jian; Hu, Chenguo; Tong, Yexiang; Zhou, Jun; Wang, Zhong Lin

    2012-01-24

    A highly flexible solid-state supercapacitor was fabricated through a simple flame synthesis method and electrochemical deposition process based on a carbon nanoparticles/MnO(2) nanorods hybrid structure using polyvinyl alcohol/H(3)PO(4) electrolyte. Carbon fabric is used as a current collector and electrode (mechanical support), leading to a simplified, highly flexible, and lightweight architecture. The device exhibited good electrochemical performance with an energy density of 4.8 Wh/kg at a power density of 14 kW/kg, and a demonstration of a practical device is also presented, highlighting the path for its enormous potential in energy management.

  10. An Ultrahigh-Performance Photodetector based on a Perovskite-Transition-Metal-Dichalcogenide Hybrid Structure.

    Science.gov (United States)

    Kang, Dong-Ho; Pae, Seong Ryul; Shim, Jaewoo; Yoo, Gwangwe; Jeon, Jaeho; Leem, Jung Woo; Yu, Jae Su; Lee, Sungjoo; Shin, Byungha; Park, Jin-Hong

    2016-09-01

    An ultrahigh performance MoS2 photodetector with high photoresponsivity (1.94 × 10(6) A W(-1) ) and detectivity (1.29 × 10(12) Jones) under 520 nm and 4.63 pW laser exposure is demonstrated. This photodetector is based on a methyl-ammonium lead halide perovskite/MoS2 hybrid structure with (3-aminopropyl)triethoxysilane doping. The performance degradation caused by moisture is also minimized down to 20% by adopting a new encapsulation bilayer of octadecyltrichlorosilane/polymethyl methacrylate.

  11. New approaches to the development of hybrid nanocomposites: from structural materials to high-tech applications

    Science.gov (United States)

    Gerasin, V. A.; Antipov, Evgenii M.; Karbushev, V. V.; Kulichikhin, Valerii G.; Karpacheva, Galina P.; Talroze, Raisa V.; Kudryavtsev, Y. V.

    2013-04-01

    Current challenges in the development of various polymer nanocomposites and in the study of their properties are considered. Results of studying hybrid structural (polymer-layered silicates, polymer-nanodiamonds) and functional (based on conducting or liquid-crystalline polymers) nanomaterials are presented. Methods of modification of nanoparticles and their dispersion in a polymer matrix, and the role of interactions between a polymer matrix and fillers, as well as of nanoparticle morphology realized in the course of processing, are discussed. The bibliography includes 453 references.

  12. Photoemission study of ferrocenes: insights into the electronic structure of Si-based hybrid materials

    Energy Technology Data Exchange (ETDEWEB)

    Boccia, A; Marrani, A G; Stranges, S; Zanoni, R [Dipartimento di Chimica, Universita degli Studi di Roma ' La Sapienza' , piazzale Aldo Moro 5, I-00185 Rome (Italy); Alagia, M [ISMN-CNR, Sezione Romal, Piazzale Aldo Moro 5, I-00185 Roma, Italy and Laboratorio Nazionale TASC-CNR SS-14, Km 163.5, Basovizza, I-34012 Trieste (Italy); Iozzi, M F; Cossi, M [Dipartimento di Scienze dell' Ambiente e della Vita, Universita del Piemonte Orientale, via V. Bellini 25/G, I-15100 Alessandria (Italy)], E-mail: Andrea.Marrani@uniromal.it

    2008-03-15

    We present here the results of synchrotron radiation-excited UV-photoemission investigation and DFT calculations on vinylferrocene (VFC), a redox molecule suitable for applications in molecular electronics. A detailed assignment is discussed of the valence photoelectron spectra (UPS), which provides new data on the electronic structure and offers a partial re-interpretation of previous assignments on VFC based on theoretical and experimental evidences. Furthermore, the present results can allow for a meaningful comparison of photoemission results from the corresponding hybrid obtained by covalently attaching VFC to Si oriented surfaces.

  13. Dynamical Coulomb blockade of the nonlocal conductance in normalmetal/superconductor hybrid structures

    Energy Technology Data Exchange (ETDEWEB)

    Kolenda, Stefan; Wolf, Michael J.; Beckmann, Detlef [Institut fuer Nanotechnologie, KIT, 76021 Karlsruhe (Germany)

    2013-07-01

    In normalmetal/superconductor hybrid structures nonlocal conductance is determined by crossed Andreev reflection (CAR) and elastic cotunneling (EC). This was investigated recently both experimentally and theoretically. Dynamical Coulomb blockade of EC and CAR was predicted theoretically. Here we report on experimental investigations of these effects. We found signatures of dynamical Coulomb blockade in local and nonlocal conductance in the normal state. In the superconducting state, we find s-shaped nonlocal differential conductance curves as a function of bias applied on both contacts. These curves were observed for bias voltages both below and above the gap. We compare our results to theory.

  14. Structure of hybrid protoneutron stars within the Nambu--Jona-Lasinio model

    CERN Document Server

    Burgio, G F

    2007-01-01

    We investigate the structure of protoneutron stars (PNS) formed by hadronic and quark matter in $\\beta$-equilibrium described by appropriate equations of state (EOS). For the hadronic matter, we use a finite temperature EOS based on the Brueckner-Bethe-Goldstone many-body theory, with realistic two- and three-body forces. For the quark sector, we employ the Nambu--Jona-Lasinio model. We find that the maximum allowed masses are comprised in a narrow range around 1.8 solar masses, with a slight dependence on the temperature. Metastable hybrid protoneutron stars are not found.

  15. Structure and properties of hybrid poly(2-hydroxyethyl methacrylate)/SiO2 monoliths

    DEFF Research Database (Denmark)

    Ji, Xiangling; Jiang, Shichun; Qiu, Xuepeng

    2003-01-01

    to HEMA, was varied between 100/0 and 0/100. Structural analysis was performed by IR and NMR. The NMR results indicated that the introduction of PHEMA in the silica networks gave rise to a lower degree of condensation of TEOS. The resulting monoliths showed more than 75% transmittance in the visible...... related to some degree of chemical crosslinking between the polymer and the silica moiety, which would greatly improve the thermal stability of such hybrid monoliths compared with a pure PHEMA....

  16. Resistive Switching Characteristics of Tantalum Oxide Thin Film and Titanium Oxide Nanoparticles Hybrid Structure.

    Science.gov (United States)

    Park, Mi Ra; Abbas, Yawar; Hu, Quanli; Yoon, Tae-Sik; Choi, Young Jin; Kang, Chi Jung

    2015-11-01

    The fabrication of hybrid structure with TiO2 nanoparticle assembly and Ta2O5 thin film layer was demonstrated. The close-packed nanoparticles could influence the resistive switching behaviors due to the huge numbers of interface states and vacancies in the nanoparticle assembly. The device with hybrid structure presented the typical bipolar resistive switching characteristics in the structure of Ti/TiO2/Ta2O5/Au on SiO2/Si substrate. The set voltage was observed at -0.7 V, and the reset voltage occurred at (-)-0.7 V, which was smaller than that of Ta2O5 layer only. The electrical conduction mechanisms were the ohmic conduction at low resistance state (LRS) and the space charge limited conduction at high resistance state (HRS), respectively. The devices showed stable current ratio of LRS to HRS. The temperature dependent properties of the devices were also investigated. The device with nanoparticle assembly showed better electrical characteristics with low HRS current level and stable LRS current level with respect to the temperature.

  17. Conceptual Design and Structural Optimization of NASA Environmentally Responsible Aviation (ERA) Hybrid Wing Body Aircraft

    Science.gov (United States)

    Quinlan, Jesse R.; Gern, Frank H.

    2016-01-01

    Simultaneously achieving the fuel consumption and noise reduction goals set forth by NASA's Environmentally Responsible Aviation (ERA) project requires innovative and unconventional aircraft concepts. In response, advanced hybrid wing body (HWB) aircraft concepts have been proposed and analyzed as a means of meeting these objectives. For the current study, several HWB concepts were analyzed using the Hybrid wing body Conceptual Design and structural optimization (HCDstruct) analysis code. HCDstruct is a medium-fidelity finite element based conceptual design and structural optimization tool developed to fill the critical analysis gap existing between lower order structural sizing approaches and detailed, often finite element based sizing methods for HWB aircraft concepts. Whereas prior versions of the tool used a half-model approach in building the representative finite element model, a full wing-tip-to-wing-tip modeling capability was recently added to HCDstruct, which alleviated the symmetry constraints at the model centerline in place of a free-flying model and allowed for more realistic center body, aft body, and wing loading and trim response. The latest version of HCDstruct was applied to two ERA reference cases, including the Boeing Open Rotor Engine Integration On an HWB (OREIO) concept and the Boeing ERA-0009H1 concept, and results agreed favorably with detailed Boeing design data and related Flight Optimization System (FLOPS) analyses. Following these benchmark cases, HCDstruct was used to size NASA's ERA HWB concepts and to perform a related scaling study.

  18. High regression rate hybrid rocket fuel grains with helical port structures

    Science.gov (United States)

    Walker, Sean D.

    Hybrid rockets are popular in the aerospace industry due to their storage safety, simplicity, and controllability during rocket motor burn. However, they produce fuel regression rates typically 25% lower than solid fuel motors of the same thrust level. These lowered regression rates produce unacceptably high oxidizer-to-fuel (O/F) ratios that produce a potential for motor instability, nozzle erosion, and reduced motor duty cycles. To achieve O/F ratios that produce acceptable combustion characteristics, traditional cylindrical fuel ports are fabricated with very long length-to-diameter ratios to increase the total burning area. These high aspect ratios produce further reduced fuel regression rate and thrust levels, poor volumetric efficiency, and a potential for lateral structural loading issues during high thrust burns. In place of traditional cylindrical fuel ports, it is proposed that by researching the effects of centrifugal flow patterns introduced by embedded helical fuel port structures, a significant increase in fuel regression rates can be observed. The benefits of increasing volumetric efficiencies by lengthening the internal flow path will also be observed. The mechanisms of this increased fuel regression rate are driven by enhancing surface skin friction and reducing the effect of boundary layer "blowing" to enhance convective heat transfer to the fuel surface. Preliminary results using additive manufacturing to fabricate hybrid rocket fuel grains from acrylonitrile-butadiene-styrene (ABS) with embedded helical fuel port structures have been obtained, with burn-rate amplifications up to 3.0x than that of cylindrical fuel ports.

  19. Detailed Post-Soft Impact Progressive Damage Assessment for Hybrid Structure Jet Engines

    Science.gov (United States)

    Siddens, Aaron; Bayandor, Javid; Celestina, Mark L.

    2014-01-01

    Currently, certification of engine designs for resistance to bird strike is reliant on physical tests. Predictive modeling of engine structural damage has mostly been limited to evaluation of individual forward section components, such as fan blades within a fixed frame of reference, to direct impact with a bird. Such models must be extended to include interactions among engine components under operating conditions to evaluate the full extent of engine damage. This paper presents the results of a study aim to develop a methodology for evaluating bird strike damage in advanced propulsion systems incorporating hybrid composite/metal structures. The initial degradation and failure of individual fan blades struck by a bird were investigated. Subsequent damage to other fan blades and engine components due to resultant violent fan assembly vibrations and fragmentation was further evaluated. Various modeling parameters for the bird and engine components were investigated to determine guidelines for accurately capturing initial damage and progressive failure of engine components. Then, a novel hybrid structure modeling approach was investigated and incorporated into the crashworthiness methodology. Such a tool is invaluable to the process of design, development, and certification of future advanced propulsion systems.

  20. Selective wrapping and supramolecular structures of polyfluorene-carbon nanotube hybrids.

    Science.gov (United States)

    Gao, Jia; Loi, Maria Antonietta; de Carvalho, Elton José Figueiredo; Dos Santos, Maria Cristina

    2011-05-24

    We report on the photophysical properties of single-walled carbon nanotube (SWNT) suspensions in toluene solutions of poly[9,9-dioctylfluorenyl-2,7-diyl](PFO). Steady-state and time-resolved photoluminescence spectroscopy in the near-infrared and visible spectral regions are used to study the interaction of the dispersed SWNTs with the wrapped polymer. Molecular dynamics simulations of the PFO-SWNT hybrids in toluene were carried out to evaluate the energetics of different wrapping geometries. The simulated fluorescence spectra in the visible region were obtained by the quantum chemical ZINDO-CI method, using a sampling of structures obtained from the dynamics trajectories. The tested schemes consider polymer chains aligned along the nanotube axis, where chirality has a minimal effect, or forming helical structures, where a preference for high chiral angles is evidenced. Moreover, toluene affects the polymer structure favoring the helical conformation. Simulations show that the most stable hybrid system is the PFO-wrapped (8,6) nanotube, in agreement with the experimentally observed selectivity.

  1. Enhanced photovoltaic performance of polymer-filled nanoporous Si hybrid structures.

    Science.gov (United States)

    Gang, Minjae; Lee, Joo-Hyoung

    2017-02-15

    We propose a novel hybrid structure for improving the efficiency of crystalline silicon solar cells. By employing first-principles calculations, we demonstrate that ordered, nanoporous silicon (np-Si), when filled with polythiophene (PT) inside the pores, exhibits a substantially enhanced absorption coefficient compared to both np-Si and the bulk, which makes the np-Si/PT heterojunction a superior light absorbing material. In addition, the PT-filled porous structure forms a staggered gap, or type II, heterojunction at the interfaces, where the valence band maximum and conduction band minimum of the composite reside on PT and np-Si, respectively. Moreover, the pore-filling polymer brings about a highly dispersive valence band, which provides a major pathway for hole transport. These results suggest that such a hybrid structure, which may be easier to scale up than nanowire-based approaches, will efficiently dissociate photo-induced electron-hole pairs and reduce the amount of material for light absorption, thus leading to a cost-effective and high-performance solar cell.

  2. Structural Variations in Hybrid All-Nanoparticle Gibbsite Nanoplatelet/Cellulose Nanocrystal Multilayered Films.

    Science.gov (United States)

    Martin, Clélia; Barker, Robert; Watkins, Erik B; Dubreuil, Frédéric; Cranston, Emily D; Heux, Laurent; Jean, Bruno

    2017-08-15

    Cellulose nanocrystals (CNCs) are promising biosourced building blocks for the production of high performance materials. In the last ten years, CNCs have been used in conjunction with polymers for the design of multilayered thin films via the layer-by-layer assembly technique. Herein, polymer chains have been replaced with positively charged inorganic gibbsite nanoplatelets (GN) to form hybrid "nanoparticle-only" composite films. A combination of atomic force microscopy and neutron reflectivity experiments was exploited to investigate the growth and structure of the films. Data show that the growth and density of GN/CNC films can be tuned over a wide range during preparation by varying the ionic strength in the CNC suspension and the film drying protocol. Specifically, thin and dense multilayered films or very thick, more porous mixed slabs, as well as intermediate internal structures, could be obtained in a predictable manner. The influence of key physicochemical parameters on the multilayer film buildup was elucidated and the film architecture was linked to the dominating interaction forces between the components. The degree of structural control over these hybrid nanoparticle-only films is much higher than that reported for CNC/polymer films, which offers new properties and potential applications as separation membranes or flame retardant coatings.

  3. Effect of graphene on photoluminescence properties of graphene/GeSi quantum dot hybrid structures

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Y. L.; Ma, Y. J.; Wang, W. Q.; Ding, K.; Wu, Q.; Fan, Y. L.; Yang, X. J.; Zhong, Z. Y.; Jiang, Z. M., E-mail: zmjiang@fudan.edu.cn [State Key Laboratory of Surface Physics, Key Laboratory of Micro and Nano Photonic Structures (Ministry of Education) and Department of Physics, Fudan University, Shanghai 200433 (China); Chen, D. D.; Xu, F. [SHU-SolarE R and D Lab, Department of Physics, College of Science, Shanghai University, Shanghai 200444 (China)

    2014-07-14

    Graphene has been discovered to have two effects on the photoluminescence (PL) properties of graphene/GeSi quantum dot (QD) hybrid structures, which were formed by covering monolayer graphene sheet on the multilayer ordered GeSi QDs sample surfaces. At the excitation of 488 nm laser line, the hybrid structure had a reduced PL intensity, while at the excitation of 325 nm, it had an enhanced PL intensity. The attenuation in PL intensity can be attributed to the transferring of electrons from the conducting band of GeSi QDs to the graphene sheet. The electron transfer mechanism was confirmed by the time resolved PL measurements. For the PL enhancement, a mechanism called surface-plasmon-polariton (SPP) enhanced absorption mechanism is proposed, in which the excitation of SPP in the graphene is suggested. Due to the resonant excitation of SPP by incident light, the absorption of incident light is much enhanced at the surface region, thus leading to more exciton generation and a PL enhancement in the region. The results may be helpful to provide us a way to improve optical properties of low dimensional surface structures.

  4. 3D Digital Design of Cranes' Structures Based on Hybrid Software Architecture

    Institute of Scientific and Technical Information of China (English)

    WANG Chonghua; LI Hua

    2006-01-01

    3D digital design for cranes' structures based on hybrid software architecture of Client/Server and Browser/Server is introduced in this paper. Based on Pro/ENGINEER platform, 3D parametric model family is built to allow generation of feasible configurations of cranes' structures in Client/Server framework. Taking use of Visual C++, the second exploiting software kit provided by Pro/ENGINEER and ANSYS GUI/APDL modeling patterns, an integration method of 3D CAD and CAE is achieved, which includes regeneration of 3D parametric model, synchronous updating and analysis of FEA model. As in Browser/Server framework, the 3D CAD models of parts, components and the whole structure could also be displayed in the customer's browser in VRML format.

  5. Tuning the band gap in hybrid tin iodide perovskite semiconductors using structural templating.

    Science.gov (United States)

    Knutson, Jeremy L; Martin, James D; Mitzi, David B

    2005-06-27

    Structural distortions within the extensive family of organic/inorganic hybrid tin iodide perovskite semiconductors are correlated with their experimental exciton energies and calculated band gaps. The extent of the in- and out-of-plane angular distortion of the SnI4(2-) perovskite sheets is largely determined by the relative charge density and steric requirements of the organic cations. Variation of the in-plane Sn-I-Sn bond angle was demonstrated to have the greatest impact on the tuning of the band gap, and the equatorial Sn-I bond distances have a significant secondary influence. Extended Hückel tight-binding band calculations are employed to decipher the crystal orbital origins of the structural effects that fine-tune the band structure. The calculations suggest that it may be possible to tune the band gap by as much as 1 eV using the templating influence of the organic cation.

  6. A Novel Hybrid Semi-Active Mass Damper Configuration for Structural Applications

    Directory of Open Access Journals (Sweden)

    Demetris Demetriou

    2016-11-01

    Full Text Available In this paper, a novel energy- and cost-efficient hybrid semi-active mass damper configuration for use in structural applications has been developed. For this task, an arrangement of both active and semi-active control components coupled with appropriate control algorithms are constructed and their performance is evaluated on both single and multi-degree of freedom structures for which practical constraints such as stroke and force saturation limits are taken into account. It is shown that under both free and forced vibrations, the novel device configuration outperforms its more conventional passive and semi-active counterparts, while at the same time achieving performance gains similar to the active configuration at considerably less energy and actuation demands, satisfying both strict serviceability and sustainability requirements often found to govern most modern structural applications.

  7. Hybrid yttrium iron garnet-ferromagnet structures for spin-wave devices

    Energy Technology Data Exchange (ETDEWEB)

    Papp, A., E-mail: apapp@nd.edu [Center for Nano Science and Technology and Department of Electrical Engineering, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Pázmány Péter Catholic University, Faculty of Information Technology, Budapest 1088 (Hungary); Porod, W., E-mail: porod@nd.edu; Csaba, G., E-mail: gcsaba@nd.edu [Center for Nano Science and Technology and Department of Electrical Engineering, University of Notre Dame, Notre Dame, Indiana 46556 (United States)

    2015-05-07

    We study coupled ferromagnetic layers, which could facilitate low loss, sub 100 nm wavelength spin-wave propagation and manipulation. One of the layers is a low-loss garnet film (such as yttrium iron garnet (YIG)) that enables long-distance, coherent spin-wave propagation. The other layer is made of metal-based (Permalloy, Co, and CoFe) magnetoelectronic structures that can be used to generate, manipulate, and detect the spin waves. Using micromagnetic simulations, we analyze the interactions between the spin waves in the YIG and the metallic nanomagnet structures and demonstrate the components of a scalable spin-wave based signal processing device. We argue that such hybrid-metallic ferromagnet structures can be the basis of potentially high-performance, ultra low-power computing devices.

  8. Structures of the Bacterial Ribosome in Classical and Hybrid States of tRNA Binding

    Energy Technology Data Exchange (ETDEWEB)

    Dunkle, Jack A.; Wang, Leyi; Feldman, Michael B.; Pulk, Arto; Chen, Vincent B.; Kapral, Gary J.; Noeske, Jonas; Richardson, Jane S.; Blanchard, Scott C.; Cate, Jamie H. Doudna (Cornell); (UCB); (Duke)

    2011-09-06

    During protein synthesis, the ribosome controls the movement of tRNA and mRNA by means of large-scale structural rearrangements. We describe structures of the intact bacterial ribosome from Escherichia coli that reveal how the ribosome binds tRNA in two functionally distinct states, determined to a resolution of {approx}3.2 angstroms by means of x-ray crystallography. One state positions tRNA in the peptidyl-tRNA binding site. The second, a fully rotated state, is stabilized by ribosome recycling factor and binds tRNA in a highly bent conformation in a hybrid peptidyl/exit site. The structures help to explain how the ratchet-like motion of the two ribosomal subunits contributes to the mechanisms of translocation, termination, and ribosome recycling.

  9. Combining cell-based hydrodynamics with hybrid particle-field simulations: efficient and realistic simulation of structuring dynamics.

    Science.gov (United States)

    Sevink, G J A; Schmid, F; Kawakatsu, T; Milano, G

    2017-02-22

    We have extended an existing hybrid MD-SCF simulation technique that employs a coarsening step to enhance the computational efficiency of evaluating non-bonded particle interactions. This technique is conceptually equivalent to the single chain in mean-field (SCMF) method in polymer physics, in the sense that non-bonded interactions are derived from the non-ideal chemical potential in self-consistent field (SCF) theory, after a particle-to-field projection. In contrast to SCMF, however, MD-SCF evolves particle coordinates by the usual Newton's equation of motion. Since collisions are seriously affected by the softening of non-bonded interactions that originates from their evaluation at the coarser continuum level, we have devised a way to reinsert the effect of collisions on the structural evolution. Merging MD-SCF with multi-particle collision dynamics (MPCD), we mimic particle collisions at the level of computational cells and at the same time properly account for the momentum transfer that is important for a realistic system evolution. The resulting hybrid MD-SCF/MPCD method was validated for a particular coarse-grained model of phospholipids in aqueous solution, against reference full-particle simulations and the original MD-SCF model. We additionally implemented and tested an alternative and more isotropic finite difference gradient. Our results show that efficiency is improved by merging MD-SCF with MPCD, as properly accounting for hydrodynamic interactions considerably speeds up the phase separation dynamics, with negligible additional computational costs compared to efficient MD-SCF. This new method enables realistic simulations of large-scale systems that are needed to investigate the applications of self-assembled structures of lipids in nanotechnologies.

  10. Structure and weights optimisation of a modified Elman network emotion classifier using hybrid computational intelligence algorithms: a comparative study

    Science.gov (United States)

    Sheikhan, Mansour; Abbasnezhad Arabi, Mahdi; Gharavian, Davood

    2015-10-01

    Artificial neural networks are efficient models in pattern recognition applications, but their performance is dependent on employing suitable structure and connection weights. This study used a hybrid method for obtaining the optimal weight set and architecture of a recurrent neural emotion classifier based on gravitational search algorithm (GSA) and its binary version (BGSA), respectively. By considering the features of speech signal that were related to prosody, voice quality, and spectrum, a rich feature set was constructed. To select more efficient features, a fast feature selection method was employed. The performance of the proposed hybrid GSA-BGSA method was compared with similar hybrid methods based on particle swarm optimisation (PSO) algorithm and its binary version, PSO and discrete firefly algorithm, and hybrid of error back-propagation and genetic algorithm that were used for optimisation. Experimental tests on Berlin emotional database demonstrated the superior performance of the proposed method using a lighter network structure.

  11. Self-assembled structures of amphiphilic ionic block copolymers: Theory, self-consistent field modeling and experiment

    NARCIS (Netherlands)

    Borisov, O.V.; Zhulina, E.B.; Leermakers, F.A.M.; Muller, A.H.E.

    2011-01-01

    We present an overview of statistical thermodynamic theories that describe the self-assembly of amphiphilic ionic/hydrophobic diblock copolymers in dilute solution. Block copolymers with both strongly and weakly dissociating (pH-sensitive) ionic blocks are considered. We focus mostly on structural

  12. Structure-Property-Processing Correlations in Freeze-Cast Hybrid Scaffolds

    Science.gov (United States)

    Hunger, Philipp Malte

    Porous materials are highly sought after for applications ranging from catalyst carriers to tissue scaffolds. Most applications require clearly defined structural features and a specific mechanical performance. Therefore, it is essential to establish systematic structure-property-processing correlations to be able to tailor both structure and mechanical properties for a particular application. Because the introduction of porosity is detrimental to the mechanical performance of highly porous structures, it is necessary to generate a structure that allows for the mechanical properties to be maximized. One example for such a structure are honeycombs. In addition to the porosity and pore morphology, the scaffold's performance depends on the properties inherent to the material from which it is made. Polymeric foams possess high toughness but low stiffness, whereas ceramic foams possess high stiffness but low toughness. Natural composites like bone, antler and nacre have both high stiffness and high toughness. This unusual set of mechanical properties is thought to be intricately linked to the multi-level hierarchical composite structure present in these materials. Great potential for the fabrication of stiff, strong and tough porous scaffolds is thus seen in nacre-like composite materials with a hierarchical, honeycomb-like structure. Freeze casting is a method with which such hybrid materials can be made, adding the third dimension to nacre by forming a highly porous, hierarchical bulk material, with dense, nacre-like cell walls. The nacre-like cell walls self-assemble during the directional freezing of a water-based ceramic-polymer slurry. Reported here are structure-property-processing correlations observed in these materials. They are unusual, because they are, like nacre, solely glued by a polymeric phase and not processed further by sintering. The results illustrate several pathways to control both structure and mechanical properties in freeze-cast composites and

  13. Dependence of SERS enhancement on the chemical composition and structure of Ag/Au hybrid nanoparticles.

    Science.gov (United States)

    Chaffin, Elise; O'Connor, Ryan T; Barr, James; Huang, Xiaohua; Wang, Yongmei

    2016-08-01

    Noble metal nanoparticles (NPs) such as silver (Ag) and gold (Au) have unique plasmonic properties that give rise to surface enhanced Raman scattering (SERS). Generally, Ag NPs have much stronger plasmonic properties and, hence, provide stronger SERS signals than Au NPs. However, Ag NPs lack the chemical stability and biocompatibility of comparable Au NPs and typically exhibit the most intense plasmonic resonance at wavelengths much shorter than the optimal spectral region for many biomedical applications. To overcome these issues, various experimental efforts have been devoted to the synthesis of Ag/Au hybrid NPs for the purpose of SERS detections. However, a complete understanding on how the SERS enhancement depends on the chemical composition and structure of these nanoparticles has not been achieved. In this study, Mie theory and the discrete dipole approximation have been used to calculate the plasmonic spectra and near-field electromagnetic enhancements of Ag/Au hybrid NPs. In particular, we discuss how the electromagnetic enhancement depends on the mole fraction of Au in Ag/Au alloy NPs and how one may use extinction spectra to distinguish between Ag/Au alloyed NPs and Ag-Au core-shell NPs. We also show that for incident laser wavelengths between ∼410 nm and 520 nm, Ag/Au alloyed NPs provide better electromagnetic enhancement than pure Ag, pure Au, or Ag-Au core-shell structured NPs. Finally, we show that silica-core Ag/Au alloy shelled NPs provide even better performance than pure Ag/Au alloy or pure solid Ag and pure solid Au NPs. The theoretical results presented will be beneficial to the experimental efforts in optimizing the design of Ag/Au hybrid NPs for SERS-based detection methods.

  14. Research of hail impact on aircraft wheel door with lattice hybrid structure

    Science.gov (United States)

    Li, Shengze; Jin, Feng; Zhang, Weihua; Meng, Xuanzhu

    2016-09-01

    Aimed at a long lasting issue of hail impact on aircraft structures and aviation safety due to its high speed, the resistance performance of hail impact on the wheel door of aircraft with lattice hybrid structure is investigated. The proper anti-hail structure can be designed both efficiency and precision based on this work. The dynamic responses of 8 different sandwich plates in diverse impact speed are measured. Smoothed Particle Hydrodynamic (SPH) method is introduced to mimic the speciality of solid-liquid mixture trait of hailstone during the impact process. The deformation and damage degree of upper and lower panel of sandwich plate are analysed. The application range and failure mode for the relevant structure, as well as the energy absorbing ratio between lattice structure and aluminium foam are summarized. Results show that the tetrahedral sandwich plate with aluminium foam core is confirmed the best for absorbing energy. Furthermore, the high absorption characteristics of foam material enhance the capability of the impact resistance for the composition with lattice structure without increasing the structure surface density. The results of study are of worth to provide a reliable basis for reduced weight aircraft wheel door.

  15. A hybrid system identification methodology for wireless structural health monitoring systems based on dynamic substructuring

    Science.gov (United States)

    Dragos, Kosmas; Smarsly, Kay

    2016-04-01

    System identification has been employed in numerous structural health monitoring (SHM) applications. Traditional system identification methods usually rely on centralized processing of structural response data to extract information on structural parameters. However, in wireless SHM systems the centralized processing of structural response data introduces a significant communication bottleneck. Exploiting the merits of decentralization and on-board processing power of wireless SHM systems, many system identification methods have been successfully implemented in wireless sensor networks. While several system identification approaches for wireless SHM systems have been proposed, little attention has been paid to obtaining information on the physical parameters (e.g. stiffness, damping) of the monitored structure. This paper presents a hybrid system identification methodology suitable for wireless sensor networks based on the principles of component mode synthesis (dynamic substructuring). A numerical model of the monitored structure is embedded into the wireless sensor nodes in a distributed manner, i.e. the entire model is segmented into sub-models, each embedded into one sensor node corresponding to the substructure the sensor node is assigned to. The parameters of each sub-model are estimated by extracting local mode shapes and by applying the equations of the Craig-Bampton method on dynamic substructuring. The proposed methodology is validated in a laboratory test conducted on a four-story frame structure to demonstrate the ability of the methodology to yield accurate estimates of stiffness parameters. Finally, the test results are discussed and an outlook on future research directions is provided.

  16. Self-consistent electronic structure and segregation profiles of the Cu-Ni (001) random-alloy surface

    DEFF Research Database (Denmark)

    Ruban, Andrei; Abrikosov, I. A.; Kats, D. Ya.

    1994-01-01

    We have calculated the electronic structure and segregation profiles of the (001) surface of random Cu-Ni alloys with varying bulk concentrations by means of the coherent potential approximation and the linear muffin-tin-orbitals method. Exchange and correlation were included within the local-den...... to be oscillatory with a strong preference for Cu to segregate towards the surface of the alloy....

  17. Investigation of charge injection and transport behavior in multilayer structure consisted of ferromagnetic metal and organic polymer under external fields

    Science.gov (United States)

    Zhao, Hua; Meng, Wei-Feng

    2017-10-01

    In this paper a five layer organic electronic device with alternately placed ferromagnetic metals and organic polymers: ferromagnetic metal/organic layer/ferromagnetic metal/organic layer/ferromagnetic metal, which is injected a spin-polarized electron from outsides, is studied theoretically using one-dimensional tight binding model Hamiltonian. We calculated equilibrium state behavior after an electron with spin is injected into the organic layer of this structure, charge density distribution and spin polarization density distribution of this injected spin-polarized electron, and mainly studied possible transport behavior of the injected spin polarized electron in this multilayer structure under different external electric fields. We analyze the physical process of the injected electron in this multilayer system. It is found by our calculation that the injected spin polarized electron exists as an electron-polaron state with spin polarization in the organic layer and it can pass through the middle ferromagnetic layer from the right-hand organic layer to the left-hand organic layer by the action of increasing external electric fields, which indicates that this structure may be used as a possible spin-polarized charge electronic device and also may provide a theoretical base for the organic electronic devices and it is also found that in the boundaries between the ferromagnetic layer and the organic layer there exist induced interface local dipoles due to the external electric fields.

  18. Synthesis and Crystal Structure of the First Hybrid Manganese Phosphate with 1-D Framework of Dinuclear Structure

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A novel hybrid manganese phosphate, [(bipy)Mn(H2PO4)2] (bipy = 2,2'-bipyridine) 1, was synthesized, and its structure is characteristic of 1-D framework involving a dinuclear structure made up of edge-sharing Mn(II) octahedra. 1 crystallizes in the monoclinic system, space group C2/c with a = 12.230(2), b = 17.800(4), c = 13.530(3)(A), β = 105.00(3)o, V = 2845.0(10)(A)3, Z = 8. Dc = 1.892 g/cm3, F(000) = 1640, Mr = 405.10, μ(MoKα) = 1.198 mm-1, R = 0.0306 and wR = 0.0657 for 2093 observed reflections (I > 2σ(I)).

  19. Structured oligonucleotides for target indexing to allow single-vessel PCR amplification and solid support microarray hybridization.

    Science.gov (United States)

    Girard, Laurie D; Boissinot, Karel; Peytavi, Régis; Boissinot, Maurice; Bergeron, Michel G

    2015-02-07

    The combination of molecular diagnostic technologies is increasingly used to overcome limitations on sensitivity, specificity or multiplexing capabilities, and provide efficient lab-on-chip devices. Two such techniques, PCR amplification and microarray hybridization are used serially to take advantage of the high sensitivity and specificity of the former combined with high multiplexing capacities of the latter. These methods are usually performed in different buffers and reaction chambers. However, these elaborate methods have high complexity and cost related to reagent requirements, liquid storage and the number of reaction chambers to integrate into automated devices. Furthermore, microarray hybridizations have a sequence dependent efficiency not always predictable. In this work, we have developed the concept of a structured oligonucleotide probe which is activated by cleavage from polymerase exonuclease activity. This technology is called SCISSOHR for Structured Cleavage Induced Single-Stranded Oligonucleotide Hybridization Reaction. The SCISSOHR probes enable indexing the target sequence to a tag sequence. The SCISSOHR technology also allows the combination of nucleic acid amplification and microarray hybridization in a single vessel in presence of the PCR buffer only. The SCISSOHR technology uses an amplification probe that is irreversibly modified in presence of the target, releasing a single-stranded DNA tag for microarray hybridization. Each tag is composed of a 3-nucleotide sequence-dependent segment and a unique "target sequence-independent" 14-nucleotide segment allowing for optimal hybridization with minimal cross-hybridization. We evaluated the performance of five (5) PCR buffers to support microarray hybridization, compared to a conventional hybridization buffer. Finally, as a proof of concept, we developed a multiplexed assay for the amplification, detection, and identification of three (3) DNA targets. This new technology will facilitate the design

  20. Fluorescence in situ hybridization applications for super-resolution 3D structured illumination microscopy.

    Science.gov (United States)

    Markaki, Yolanda; Smeets, Daniel; Cremer, Marion; Schermelleh, Lothar

    2013-01-01

    Fluorescence in situ hybridization on three-dimensionally preserved cells (3D-FISH) is an efficient tool to analyze the subcellular localization and spatial arrangement of targeted DNA sequences and RNA transcripts at the single cell level. 3D reconstructions from serial optical sections obtained by confocal laser scanning microscopy (CLSM) have long been considered the gold standard for 3D-FISH analyses. Recent super-resolution techniques circumvent the diffraction-limit of optical resolution and have defined a new state-of-the-art in bioimaging. Three-dimensional structured illumination microscopy (3D-SIM) represents one of these technologies. Notably, 3D-SIM renders an eightfold improved volumetric resolution over conventional imaging, and allows the simultaneous visualization of differently labeled target structures. These features make this approach highly attractive for the analysis of spatial relations and substructures of nuclear targets that escape detection by conventional light microscopy. Here, we focus on the application of 3D-SIM for the visualization of subnuclear 3D-FISH preparations. In comparison with conventional fluorescence microscopy, the quality of 3D-SIM data is dependent to a much greater extent on the optimal sample preparation, labeling and acquisition conditions. We describe typical problems encountered with super-resolution imaging of in situ hybridizations in mammalian tissue culture cells and provide optimized DNA-/(RNA)-FISH protocols including combinations with immunofluorescence staining (Immuno-FISH) and DNA replication labeling using click chemistry.

  1. AC loss measurements in HTS coil assemblies with hybrid coil structures

    Science.gov (United States)

    Jiang, Zhenan; Long, Nicholas J.; Staines, Mike; Badcock, Rodney A.; Bumby, Chris W.; Buckley, Robert G.; Amemiya, Naoyuki

    2016-09-01

    Both AC loss and wire cost in coil windings are critical factors for high temperature superconductor (HTS) AC machinery applications. We present AC loss measurement results in three HTS coil assemblies at 77 K and 65 K which have a hybrid coil structure comprising one central winding (CW) and two end windings (EWs) wound with ReBCO and BSCCO wires with different self-field I c values at 77 K. All AC loss results in the coil assemblies are hysteretic and the normalized AC losses in the coil assemblies at different temperatures can be scaled with the I c value of the coil assemblies. The normalised results show that AC loss in a coil assembly with BSCCO CW can be reduced by using EWs wound with high I c ReBCO wires, whilst further AC loss reduction can be achieved by replacing the BSCCO CW with ReBCO CW. The results imply that a flexible hybrid coil structure is possible which considers both AC loss and wire cost in coil assemblies.

  2. Unexpected structural complexity of supernumerary marker chromosomes characterized by microarray comparative genomic hybridization

    Directory of Open Access Journals (Sweden)

    Hing Anne V

    2008-04-01

    Full Text Available Abstract Background Supernumerary marker chromosomes (SMCs are structurally abnormal extra chromosomes that cannot be unambiguously identified by conventional banding techniques. In the past, SMCs have been characterized using a variety of different molecular cytogenetic techniques. Although these techniques can sometimes identify the chromosome of origin of SMCs, they are cumbersome to perform and are not available in many clinical cytogenetic laboratories. Furthermore, they cannot precisely determine the region or breakpoints of the chromosome(s involved. In this study, we describe four patients who possess one or more SMCs (a total of eight SMCs in all four patients that were characterized by microarray comparative genomic hybridization (array CGH. Results In at least one SMC from all four patients, array CGH uncovered unexpected complexity, in the form of complex rearrangements, that could have gone undetected using other molecular cytogenetic techniques. Although array CGH accurately defined the chromosome content of all but two minute SMCs, fluorescence in situ hybridization was necessary to determine the structure of the markers. Conclusion The increasing use of array CGH in clinical cytogenetic laboratories will provide an efficient method for more comprehensive characterization of SMCs. Improved SMC characterization, facilitated by array CGH, will allow for more accurate SMC/phenotype correlation.

  3. Hybrid micro-/nano-structures derived from metal-organic frameworks: preparation and applications in energy storage and conversion.

    Science.gov (United States)

    Cao, Xiehong; Tan, Chaoliang; Sindoro, Melinda; Zhang, Hua

    2017-05-22

    Metal-organic frameworks (MOFs), an important class of inorganic-organic hybrid crystals with intrinsic porous structures, can be used as versatile precursors or sacrificial templates for preparation of numerous functional nanomaterials for various applications. Recent developments of MOF-derived hybrid micro-/nano-structures, constructed by more than two components with varied functionalities, have revealed their extensive capabilities to overcome the weaknesses of the individual counterparts and thus give enhanced performance for energy storage and conversion. In this tutorial review, we summarize the recent advances in MOF-derived hybrid micro-/nano-structures. The synthetic strategies for preparing MOF-derived hybrid micro-/nano-structures are first introduced. Focusing on energy storage and conversion, we then discuss their potential applications in lithium-ion batteries, lithium-sulfur batteries, supercapacitors, lithium-oxygen batteries and fuel cells. Finally, we give our personal insights into the challenges and opportunities for the future research of MOF-derived hybrid micro-/nano-structures.

  4. Consistent responses of the microbial community structure to organic farming along the middle and lower reaches of the Yangtze River

    Science.gov (United States)

    Wang, Wenhui; Wang, Hui; Feng, Youzhi; Wang, Lei; Xiao, Xingji; Xi, Yunguan; Luo, Xue; Sun, Ruibo; Ye, Xianfeng; Huang, Yan; Zhang, Zhengguang; Cui, Zhongli

    2016-01-01

    Soil microorganisms play a crucial role in the biogeochemical cycling of nutrient elements and maintaining soil health. We aimed to investigate the response of bacteria communities to organic farming over different crops (rice, tea and vegetable) along the middle and lower reaches of the Yangtze River of China. Compared with conventional farming, organic farming significantly increased soil nutrients, soil enzyme activities, and bacterial richness and diversity. A Venn diagram and principal component analysis revealed that the soils with 3 different crops under organic farming have more number and percent of shared OTUs (operational taxonomic units), and shared a highly similar microbial community structure. Under organic farming, several predominant guilds and major bacterial lineages (Rhizobiales, Thiotrichaceae, Micromonosporaceae, Desulfurellaceae and Myxococcales) contributing to nutrient (C, N, S and P) cycling were enriched, whereas the relative abundances of acid and alkali resistant microorganisms (Acidobacteriaceae and Sporolactobacillaceae) were increased under conventional farming practices. Our results indicated that, for all three crops, organic farming have a more stable microflora and the uniformity of the bacterial community structure. Organic agriculture significantly increased the abundance of some nutrition-related bacteria, while reducing some of the abundance of acid and alkali resistant bacteria. PMID:27725750

  5. Consistent responses of the microbial community structure to organic farming along the middle and lower reaches of the Yangtze River.

    Science.gov (United States)

    Wang, Wenhui; Wang, Hui; Feng, Youzhi; Wang, Lei; Xiao, Xingji; Xi, Yunguan; Luo, Xue; Sun, Ruibo; Ye, Xianfeng; Huang, Yan; Zhang, Zhengguang; Cui, Zhongli

    2016-10-11

    Soil microorganisms play a crucial role in the biogeochemical cycling of nutrient elements and maintaining soil health. We aimed to investigate the response of bacteria communities to organic farming over different crops (rice, tea and vegetable) along the middle and lower reaches of the Yangtze River of China. Compared with conventional farming, organic farming significantly increased soil nutrients, soil enzyme activities, and bacterial richness and diversity. A Venn diagram and principal component analysis revealed that the soils with 3 different crops under organic farming have more number and percent of shared OTUs (operational taxonomic units), and shared a highly similar microbial community structure. Under organic farming, several predominant guilds and major bacterial lineages (Rhizobiales, Thiotrichaceae, Micromonosporaceae, Desulfurellaceae and Myxococcales) contributing to nutrient (C, N, S and P) cycling were enriched, whereas the relative abundances of acid and alkali resistant microorganisms (Acidobacteriaceae and Sporolactobacillaceae) were increased under conventional farming practices. Our results indicated that, for all three crops, organic farming have a more stable microflora and the uniformity of the bacterial community structure. Organic agriculture significantly increased the abundance of some nutrition-related bacteria, while reducing some of the abundance of acid and alkali resistant bacteria.

  6. A hybrid-stress solid-shell element for non-linear analysis of piezoelectric structures

    Institute of Scientific and Technical Information of China (English)

    SZE; K; Y

    2009-01-01

    This paper presents eight-node solid-shell elements for geometric non-linear analyze of piezoelectric structures. To subdue shear, trapezoidal and thickness locking, the assumed natural strain method and an ad hoc modified generalized laminate stiffness matrix are employed. With the generalized stresses arising from the modified generalized laminate stiffness matrix assumed to be independent from the ones obtained from the displacement, an extended Hellinger-Reissner functional can be derived. By choosing the assumed generalized stresses similar to the assumed stresses of a previous solid ele- ment, a hybrid-stress solid-shell element is formulated. The presented finite shell element is able to model arbitrary curved shell structures. Non-linear numerical examples demonstrate the ability of the proposed model to analyze nonlinear piezoelectric devices.

  7. Combined Laser Beam Welding and Brazing Process for Aluminium Titanium Hybrid Structures

    Science.gov (United States)

    Möller, F.; Grden, M.; Thomy, C.; Vollertsen, F.

    The current state of the art in light-weight construction is - for the case of aircraft structures - the use of either aluminium or titanium. Whereas aluminium is light-weight and less expensive, titanium offers superior corrosion properties at higher cost. In order to combine the advantages of both materials, a hybrid Ti-Al structure is proposed for e.g. seat-track application. In this paper, an overview of the results from this research work and the accompanying thermo-mechanical simulations will be reported and discussed. On the basis of the development of an appropriate system technology, the process development will be described, focusing on the main influencing parameters of the process on joint properties.

  8. Numerical estimation of structure composition in laser-arc hybrid welded joints

    Directory of Open Access Journals (Sweden)

    W. Piekarska

    2010-10-01

    Full Text Available This work presents results of numerical estimation of the structure composition in laser-arc hybrid welded joints. Temperature field wasobtained by the solution of the heat transfer equation with activity of inner heat sources. Convective motion of liquid metal in the welding pool, latent heat of fusion and latent heat of phase transformation were taken into account in the algorithms for numerical analysis of the temperature field. The volumetric fractions of arising phases were determined on the basis of Johnson - Mehl - Avrami (JMA model for diffusive transformations and Koistinen - Marburger (KM model for martensitic transformation. On the basis of calculated temperature distribution the structure composition in welded joint was numerically estimated, taking into account CHT and CCT diagrams for S355 steel.

  9. Structural Acoustic Response of a Shape Memory Alloy Hybrid Composite Panel (Lessons Learned)

    Science.gov (United States)

    Turner, Travis L.

    2002-01-01

    This study presents results from an effort to fabricate a shape memory alloy hybrid composite (SMAHC) panel specimen and test the structure for dynamic response and noise transmission characteristics under the action of thermal and random acoustic loads. A method for fabricating a SMAHC laminate with bi-directional SMA reinforcement is described. Glass-epoxy unidirectional prepreg tape and Nitinol ribbon comprise the material system. Thermal activation of the Nitinol actuators was achieved through resistive heating. The experimental hardware required for mechanical support of the panel/actuators and for establishing convenient electrical connectivity to the actuators is presented. Other experimental apparatus necessary for controlling the panel temperature and acquiring structural acoustic data are also described. Deficiency in the thermal control system was discovered in the process of performing the elevated temperature tests. Discussion of the experimental results focuses on determining the causes for the deficiency and establishing means for rectifying the problem.

  10. Spatial genetic and morphologic structure of wolves and coyotes in relation to environmental heterogeneity in a Canis hybrid zone.

    Science.gov (United States)

    Benson, John F; Patterson, Brent R; Wheeldon, Tyler J

    2012-12-01

    Eastern wolves have hybridized extensively with coyotes and gray wolves and are listed as a 'species of special concern' in Canada. However, a distinct population of eastern wolves has been identified in Algonquin Provincial Park (APP) in Ontario. Previous studies of the diverse Canis hybrid zone adjacent to APP have not linked genetic analysis with field data to investigate genotype-specific morphology or determine how resident animals of different ancestry are distributed across the landscape in relation to heterogeneous environmental conditions. Accordingly, we studied resident wolves and coyotes in and adjacent to APP to identify distinct Canis types, clarify the extent of the APP eastern wolf population beyond the park boundaries and investigate fine-scale spatial genetic structure and landscape-genotype associations in the hybrid zone. We documented three genetically distinct Canis types within the APP region that also differed morphologically, corresponding to putative gray wolves, eastern wolves and coyotes. We also documented a substantial number of hybrid individuals (36%) that were admixed between 2 or 3 of the Canis types. Breeding eastern wolves were less common outside of APP, but occurred in some unprotected areas where they were sympatric with a diverse combination of coyotes, gray wolves and hybrids. We found significant spatial genetic structure and identified a steep cline extending west from APP where the dominant genotype shifted abruptly from eastern wolves to coyotes and hybrids. The genotypic pattern to the south and northwest was a more complex mosaic of alternating genotypes. We modelled genetic ancestry in response to prey availability and human disturbance and found that individuals with greater wolf ancestry occupied areas of higher moose density and fewer roads. Our results clarify the structure of the Canis hybrid zone adjacent to APP and provide unique insight into environmental conditions influencing hybridization dynamics between

  11. A Ribbon-like Structure in the Ejective Organelle of the Green Microalga Pyramimonas parkeae (Prasinophyceae) Consists of Core Histones and Polymers Containing N-acetyl-glucosamine.

    Science.gov (United States)

    Yamagishi, Takahiro; Kurihara, Akira; Kawai, Hiroshi

    2015-11-01

    The green microalga, Pyramimonas parkeae (Prasinophyceae) has an ejective organelle containing a coiled ribbon structure resembling the ejectisome in Cryptophyta. This structure is discharged from the cell by a stimulus and extends to form a tube-like structure, but the molecular components of the structure have not been identified. Tricine-SDS-PAGE analysis indicated that the ribbon-like structure of P. parkeae contains some proteins and low molecular acidic polymers. Edman degradation, LC/MS/MS analyses and immunological studies demonstrated that their proteins are core histones (H3, H2A, H2B and H4). In addition, monosaccharide composition analysis of the ribbon-like structures and degradation by lysozyme strongly indicated that the ribbon-like structure consist of β (1-4) linked polymers containing N-acetyl-glucosamine. Purified polymers and recombinant histones formed glob-like or filamentous structures. Therefore we conclude that the ribbon-like structure of P. parkeae mainly consists of a complex of core histones (H3, H2A, H2B and H4) and polymers containing N-acetyl-glucosamine, and suggest to name the ejective organelle in P. parkeae the "histrosome" to distinguish it from the ejectisome in Cryptophyta. Copyright © 2015 Elsevier GmbH. All rights reserved.

  12. Genetic structure of Populus hybrid zone along the Irtysh River provides insight into plastid-nuclear incompatibility.

    Science.gov (United States)

    Zeng, Yan-Fei; Zhang, Jian-Guo; Duan, Ai-Guo; Abuduhamiti, Bawerjan

    2016-06-16

    In plants, the maintenance of species integrity despite hybridization has often been explained by the co-adaption of nuclear gene complexes. However, the interaction between plastid and nuclear sub-genomes has been underestimated. Here, we analyzed the genetic structure of a Populus alba and P. tremula hybrid zone along the Irtysh River system in the Altai region, northwest China, using both nuclear microsatellites and plastid DNA sequences. We found high interspecific differentiation, although the hybrid P. × canescens was prevalent. Bayesian inference classified most hybrids into F1, followed by a few back-crosses to P. alba, and fewer F2 hybrids and back-crosses to P. tremula, indicating a few introgressions but preference toward P. alba. When plastid haplotypes in parental species were distinct, P. × canescens carried the haplotypes of both parents, but showed significant linkage between intraspecific haplotype and nuclear genotypes at several microsatellite loci. Selection, rather than migration and assortative mating, might have contributed to such plastid-nuclear disequilibria. By removing later-generated hybrids carrying interspecific combinations of haplotype and nuclear genotypes, plastid-nuclear incompatibility has greatly limited the gene exchange between P. alba and P. tremula via backcrossing with hybrids, demonstrating a significant association between plastid haplotype and the proportion of nuclear admixture.

  13. Structural effect of monomer type on properties of copolyimides and copolyimide-silica hybrid materials

    Directory of Open Access Journals (Sweden)

    Kizilkaya Canan

    2015-01-01

    Full Text Available In this work, the effect of two different diamine monomers, containing phosphine oxide, on thermal, mechanical and morphological properties of copolyimides and their hybrid materials was investigated. Gas separation properties of the synthesized copolyimides were also analysed. Two different diamine monomers with phosphine oxide were bis(3-aminophenyl phenylphosphine oxide (BAPPO and bis(3-aminophenoxy-4-phenyl phenylphosphine oxide (m-BAPPO. In the synthesis of copolyimides 3,3’-diamino-diphenyl sulfone (DDS was also used as the diamine, as well as 2,2’-bis(3,4-dicarboxyphenylhexafluoropropane dianhydride (6FDA. Copolyimide films were prepared by thermal imidization. Hybrid materials containing 5 % SiO2 were synthesised further by sol-gel technique. The Fourier-transform infrared spectroscopy (FTIR, Nuclear magnetic resonance spectroscopy (NMR confirmed the expected structure. Dynamic mechanical analysis (DMA demonstrated that m-BAPPO based copolyimides had lower glass transition temperatures (Tg than BAPPO based copolyimides. m-BAPPO containing copolyimide without silica shifted the thermal decomposition temperature to a higher value. The moduli and strength values of BAPPO diamine containing copolyimide and its hybrid were higher than those of m-BAPPO containing materials. The contact angle measurements showed the hydrophobicity. Scanning electron microscope (SEM analysis exhibited the silica particles dispersion in the copolyimides. These copolyimides may be used in the coating industry. The CO2 permeability and the permselectivity were the highest among the other values in this study, when m-BAPPO containing copolyimide in the absence of silica was used. The gas permeabilities obtained from this work were in this decreasing order: PCO2 > PO2 > PN2.

  14. HOST SPECIFICITY AND THE GENETIC STRUCTURE OF TWO YUCCA MOTH SPECIES IN A YUCCA HYBRID ZONE.

    Science.gov (United States)

    Leebens-Mack, Jim; Pellmyr, Olle; Brock, Marcus

    1998-10-01

    Host specialization is an important mechanism of diversification among phytophagous insects, especially when they are tightly associated with their hosts. The well-known obligate pollination mutualism between yucca moths and yuccas represent such an association, but the degree of host specificity and modes of specialization in moth evolution is unclear. Here we use molecular tools to test the morphology-based hypothesis that the moths pollinating two yuccas, Yucca baccata and Y. schidigera, are distinct species. Host specificity was assessed in a zone of sympatry where the hosts are known to hybridize. Because the moths are the only pollinators, the plant hybrids are evidence that the moths occasionally perform heterospecific pollination. Nucleotide variation was assessed in a portion of the mitochondrial gene COI, and in an intron within a nuclear lysozyme gene. Moths pollinating Y. baccata and Y. schidigera were inferred to be genetically isolated because there was no overlap in alleles at either locus, and all but one of the moths was found on their native host in the hybrid zone. Moreover, genetic structure was very weak across the range of each moth species: estimates of FST for the lysozyme intron were 0.043 (SE = ± 0.004) and 0.021 (SE = ± 0.006) for the baccata and schidigera pollinators, respectively; estimated FST for COI in the baccata moths was 0.228 (± 0.012), whereas schidigera pollinators were fixed for a single allele. These results reveal a high level of migration among widely separated moth populations. We predict that pollen-mediated gene flow among conspecific yuccas is considerable and hypothesize that geographic separation is a limited barrier both for yuccas and for yucca moths. © 1998 The Society for the Study of Evolution.

  15. Structural hybrid reliability index and its convergent solving method based on random–fuzzy–interval reliability model

    Directory of Open Access Journals (Sweden)

    Hai An

    2016-08-01

    Full Text Available Aiming to resolve the problems of a variety of uncertainty variables that coexist in the engineering structure reliability analysis, a new hybrid reliability index to evaluate structural hybrid reliability, based on the random–fuzzy–interval model, is proposed in this article. The convergent solving method is also presented. First, the truncated probability reliability model, the fuzzy random reliability model, and the non-probabilistic interval reliability model are introduced. Then, the new hybrid reliability index definition is presented based on the random–fuzzy–interval model. Furthermore, the calculation flowchart of the hybrid reliability index is presented and it is solved using the modified limit-step length iterative algorithm, which ensures convergence. And the validity of convergent algorithm for the hybrid reliability model is verified through the calculation examples in literature. In the end, a numerical example is demonstrated to show that the hybrid reliability index is applicable for the wear reliability assessment of mechanisms, where truncated random variables, fuzzy random variables, and interval variables coexist. The demonstration also shows the good convergence of the iterative algorithm proposed in this article.

  16. Structural and magnetic properties of TlTF{sub 3} (T=Fe, Co and Ni) by hybrid functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Zeb, Raham [Center for Computational Materials Science, University of Malakand, Chakdara, Dir (Lower) (Pakistan); Department of Physics, University of Malakand, Chakdara, Dir (Lower) (Pakistan); Ali, Zahid, E-mail: zahidf82@gmail.com [Center for Computational Materials Science, University of Malakand, Chakdara, Dir (Lower) (Pakistan); Department of Physics, University of Malakand, Chakdara, Dir (Lower) (Pakistan); Ahmad, Iftikhar; Khan, Imad [Center for Computational Materials Science, University of Malakand, Chakdara, Dir (Lower) (Pakistan); Department of Physics, University of Malakand, Chakdara, Dir (Lower) (Pakistan)

    2015-08-15

    DFT studies are performed to investigate the structural, mechanical and magneto-electronic properties of the TlTF{sub 3} (T=Fe, Co and Ni) perovskites for the first time using GGA, GGA+U and hybrid density functional theory (HF). Our calculations show that HF give better results than GGA and GGA+U and more consistent with the experiments. The comparison of the lattice constants calculated by HF with experiments shows a maximum underestimation less than 0.2%. The chemical bonding between different ions in these compounds is explained on the bases of electronic clouds, which reveals that in TlFeF{sub 3}, Fe has more ionic character with F than the rest. The mechanical properties explain the hardness of these compounds and show that TlFeF{sub 3} is more ductile. Spin-dependent electronic band profiles show that TlFeF{sub 3} and TlCoF{sub 3} are metallic, whereas TlNiF{sub 3} is pseudo direct wide bandgap semiconductor. The stable magnetic phase optimizations and the calculated magnetic susceptibility confirm that TlFeF{sub 3} and TlNiF{sub 3} are ferromagnetic whereas TlCoF{sub 3} is anti-ferromagnetic material. - Highlights: • TlTF{sub 3} (T=Fe, Co and Ni) perovskites are investigated theoretically by hybrid density functional theory. • Mechanical properties explain the hardness of these compounds and show that TlFeF{sub 3} is more ductile. • The bandgap calculations show that TlFeF{sub 3} and TlCoF{sub 3} are metallic, whereas TlNiF{sub 3} is a wide bandgap semiconductor. • Magnetic optimizations and magnetic susceptibility confirm that TlFeF{sub 3} and TlNiF{sub 3} are ferromagnetic whereas TlCoF{sub 3} is anti-ferromagnetic material.

  17. Label-Free Electrochemiluminescence Aptasensor for 2,4,6-Trinitrotoluene Based on Bilayer Structure of Luminescence Functionalized Graphene Hybrids.

    Science.gov (United States)

    Li, Guixin; Yu, Xiuxia; Liu, Danqing; Liu, Xiaoying; Li, Fang; Cui, Hua

    2015-11-03

    The electrochemiluminescence (ECL) behavior of N-(aminobutyl)-N-(ethylisoluminol)/hemin dual-functionalized graphene hybrids (A-H-GNs) and luminol-functionalized silver/graphene oxide composite (luminol-AgNPs-GO) was investigated under cyclic voltammetry and pulse potential. It was found that A-H-GNs and luminol-AgNPs-GO exhibited excellent ECL activity. On this basis, a label-free ECL aptasensor for 2,4,6-trinitrotoluene (TNT) detection was developed based on bilayer structure of luminescence functionalized graphene hybrids consisting of A-H-GNs and luminol-AgNPs-GO. First, positively charged chitosan-coated A-H-GNs were modified on the surface of indium-doped tin oxide electrode by simple dripping and drying in the air; after that, the modified electrode was immersed in negatively charged luminol-AgNPs-GO modified with aptamer (apta-biotin-SA-luminol-AgNPs-GO) to form apta-biotin-SA-luminol-AgNPs-GO/CS-A-H-GNs/ITO electrode (i.e., aptasensor) by electrostatic interaction. In the presence of TNT, a remarkable decrease in ECL signals was observed due to the formation of aptamer-TNT complex. TNT could be detected based on the inhibition effect. The aptasensor exhibits a wide dynamic range from 1.0 × 10(-12) to 1.0 × 10(-9) g/mL, with a low detection limit of 6.3 × 10(-13) g/mL for the determination of TNT, which is superior to most previously reported bioassays for TNT. Moreover, the proposed aptasensor has been successfully applied to the detection of TNT in environmental water. It is sensitive, selective, and simple, avoiding complicated labeling and purification procedures. Due to the wide target recognition range of aptamer, this strategy provides a promising way to develop new aptasensor for other analytes.

  18. Structure and data consistency of a GIS database for geological risk analysis in S. Miguel Island (Azores)

    Science.gov (United States)

    Queiroz, G.; Goulart, C.; Gaspar, J. L.; Gomes, A.; Resendes, J. P.; Marques, R.; Gonçalves, P.; Silveira, D.; Valadão, P.

    2003-04-01

    The Geographic Information Systems (GIS) are becoming a major tool in the domain of geological hazard assessment and risk mitigation. When available, hazard and vulnerability data can easily be represented in a GIS and a great diversity of risk maps can be produced following the implementation of specific predicting models. A major difficulty for those that deal with GIS is to obtain high quality, well geo-referenced and validated data. This situation is particularly evident in the scope of risk analysis due to the diversity of data that need to be considered. In order to develop a coherent database for the geological risk analysis of the Azores archipelago it was decided to use the digital maps edited in 2001 by the Instituto Geográfico do Exército de Portugal (scale 1:25000), comprising altimetry, urban areas, roads and streams network. For the particular case of S. Miguel Island the information contained in these layers was revised and rectifications were made whenever needed. Moreover basic additional layers were added to the system, including counties and parishes administrative limits, agriculture and forested areas. For detailed studies all the edifices (e.g. houses, public buildings, monuments) are being individualized and characterized taking in account several parameters that can become crucial to assess their direct vulnerability to geological hazards (e.g. type of construction, number of floors, roof stability). Geological data obtained (1) through the interpretation of historical documents, (2) during recent fieldwork campaigns (e.g. mapping of volcanic centres and associated deposits, faults, dikes, soil degassing anomalies, landslides) and (3) by the existent monitoring networks (e.g. seismic, geodetic, fluid geochemistry) are also being digitised. The acquisition, storage and maintenance of all this information following the same criteria of quality are critical to guarantee the accuracy and consistency of the GIS database through time. In this

  19. Shake table testing of a multi-tower connected hybrid structure

    Institute of Scientific and Technical Information of China (English)

    Zhou Ying; Lu Xilin; Lu Wensheng; He Zhijun

    2009-01-01

    Many single-tower reinforced concrete core wall-steel frame (RCC-SF) buildings have been built in China, but there are no buildings of different-height multi-tower hybrid system. A multi-tower RCC-SF tall building was thus studied because of its structural complexity and irregularity. First, a 1/15 scaled model structure was designed and tested on the shake table under minor, moderate, and major earthquake levels. Then, the dynamic responses of the model structure were interpreted to those of the prototype structure according to the similitude theory. Experimental results demonstrate that, despite the complexity of the structure, the lateral deformation bends as the "bending type" and the RC core walls contribute more than the steel frames to resist seismic loads. The maximum inter-story drift of the complex building under minor earthquakes is slightly beyond the elastic limitation specified in the Chinese code, and meets code requirements under major earthquakes. From the test results some suggestions are provided that could contribute favorable effect on the seismic behavior and the displacement of the building.

  20. 2D-ordered dielectric sub-micron bowls on a metal surface: a useful hybrid plasmonic-photonic structure

    Science.gov (United States)

    Lan, Yue; Wang, Shiqiang; Yin, Xianpeng; Liang, Yun; Dong, Hao; Gao, Ning; Li, Jian; Wang, Hui; Li, Guangtao

    2016-07-01

    Recently, it has been demonstrated that the combination of periodic dielectric structures with metallic structures provides an efficient means to yield a synergetic optical response or functionality in the resultant hybrid plasmonic-photonic systems. In this work, a new hybrid plasmonic-photonic structure of 2D-ordered dielectric sub-micron bowls on a flat gold surface was proposed, prepared, and theoretically and experimentally characterized. This hybrid structure supports two types of modes: surface plasmon polaritons bound at the metallic surface and waveguided mode of light confined in the cavity of bowls. Optical responses of this hybrid structure as well as the spatial electric field distribution of each mode are found to be strongly dependent on the structural parameters of this system, and thus could be widely modified on demand. Importantly, compared to the widely studied hybrid systems, namely the flat metallic surface coated with a monolayer array of latex spheres, the waveguided mode with strong field enhancement appearing in the cavities of bowls is more facilely accessible and thus suitable for practical use. For demonstration, a 2D-ordered silica sub-micron bowl array deposited on a flat gold surface was fabricated and used as a regenerable platform for fluorescence enhancement by simply accommodating emitters in bowls. All the simulation and experiment results indicate that the 2D-ordered dielectric sub-micron bowls on a metal surface should be a useful hybrid plasmonic-photonic system with great potential for applications such as sensors or tunable emitting devices if appropriate periods and materials are employed.Recently, it has been demonstrated that the combination of periodic dielectric structures with metallic structures provides an efficient means to yield a synergetic optical response or functionality in the resultant hybrid plasmonic-photonic systems. In this work, a new hybrid plasmonic-photonic structure of 2D-ordered dielectric sub

  1. 2D-ordered dielectric sub-micron bowls on a metal surface: a useful hybrid plasmonic-photonic structure.

    Science.gov (United States)

    Lan, Yue; Wang, Shiqiang; Yin, Xianpeng; Liang, Yun; Dong, Hao; Gao, Ning; Li, Jian; Wang, Hui; Li, Guangtao

    2016-07-21

    Recently, it has been demonstrated that the combination of periodic dielectric structures with metallic structures provides an efficient means to yield a synergetic optical response or functionality in the resultant hybrid plasmonic-photonic systems. In this work, a new hybrid plasmonic-photonic structure of 2D-ordered dielectric sub-micron bowls on a flat gold surface was proposed, prepared, and theoretically and experimentally characterized. This hybrid structure supports two types of modes: surface plasmon polaritons bound at the metallic surface and waveguided mode of light confined in the cavity of bowls. Optical responses of this hybrid structure as well as the spatial electric field distribution of each mode are found to be strongly dependent on the structural parameters of this system, and thus could be widely modified on demand. Importantly, compared to the widely studied hybrid systems, namely the flat metallic surface coated with a monolayer array of latex spheres, the waveguided mode with strong field enhancement appearing in the cavities of bowls is more facilely accessible and thus suitable for practical use. For demonstration, a 2D-ordered silica sub-micron bowl array deposited on a flat gold surface was fabricated and used as a regenerable platform for fluorescence enhancement by simply accommodating emitters in bowls. All the simulation and experiment results indicate that the 2D-ordered dielectric sub-micron bowls on a metal surface should be a useful hybrid plasmonic-photonic system with great potential for applications such as sensors or tunable emitting devices if appropriate periods and materials are employed.

  2. Structure of biomembrane-on-silicon hybrids derived from X-ray reflectometry

    Energy Technology Data Exchange (ETDEWEB)

    Birkholz, M. [IHP, Im Technologiepark 25, D-15236 Frankfurt (Germany)]. E-mail: birkholz@ihp-microelectronics.com; Zaumseil, P. [IHP, Im Technologiepark 25, D-15236 Frankfurt (Germany); Kittler, M. [IHP, Im Technologiepark 25, D-15236 Frankfurt (Germany); Wallat, I. [Fachbereich Physik, FU Berlin, Arnimallee 14, D-14195 Berlin (Germany); Heyn, M.P. [Fachbereich Physik, FU Berlin, Arnimallee 14, D-14195 Berlin (Germany)

    2006-10-15

    The organic-inorganic interface and its proper structural adjustment are of central importance for the fabrication of hybrid material systems from biomolecules and semiconductors. Such material hybrids are currently under development for several advanced applications, in particular for biomolecular sensing. An investigation of biomolecular immobilization on semiconductor surfaces by X-ray reflectometry (XRR) will be presented. Complete biomembrane patches of purple membrane (PM) from Halobacterium salinarum were immobilized on oxidized and nitrided silicon wafers. A covalent immobilization protocol based on 3-aminopropyltriethoxysilane (APTS) and glutaric dialdehyde (GD) was applied for cross-linking the biomolecules to the semiconductor surface. XRR could be shown to yield the relevant morphological parameters of biomolecular monolayers such as layer thickness, interface roughness and coverage. Synchrotron radiation was not required, but a laboratory rotating anode set-up was sufficient to study the prepared stacking of organic monolayers. According to the measurement and analysis of XRR patterns both cross-linking layers APTS and GD are required for bonding purple membrane patches to SiO{sub 2}/Si, whereas GD alone suffices for cross-linking to Si{sub 3}N{sub 4}/Si. This distinct behavior offers a pathway for nanopatterning of biomolecules on Si surfaces by selective passivation.

  3. Hybrid carbon fiber/carbon nanotube composites for structural damping applications

    Science.gov (United States)

    Tehrani, M.; Safdari, M.; Boroujeni, A. Y.; Razavi, Z.; Case, S. W.; Dahmen, K.; Garmestani, H.; Al-Haik, M. S.

    2013-04-01

    Carbon nanotubes (CNTs) were grown on the surface of carbon fibers utilizing a relatively low temperature synthesis technique; graphitic structures by design (GSD). To probe the effects of the synthesis protocols on the mechanical properties, other samples with surface grown CNTs were prepared using catalytic chemical vapor deposition (CCVD). The woven graphite fabrics were thermally shielded with a thin film of SiO2 and CNTs were grown on top of this film. Raman spectroscopy and electron microscopy revealed the grown species to be multi-walled carbon nanotubes (MWCNTs). The damping performance of the hybrid CNT-carbon fiber-reinforced epoxy composite was examined using dynamic mechanical analysis (DMA). Mechanical testing confirmed that the degradations in the strength and stiffness as a result of the GSD process are far less than those encountered through using the CCVD technique and yet are negligible compared to the reference samples. The DMA results indicated that, despite the minimal degradation in the storage modulus, the loss tangent (damping) for the hybrid composites utilizing GSD-grown MWCNTs improved by 56% compared to the reference samples (based on raw carbon fibers with no surface treatment or surface grown carbon nanotubes) over the frequency range 1-60 Hz. These results indicated that the energy dissipation in the GSD-grown MWCNTs composite can be primarily attributed to the frictional sliding at the nanotube/epoxy interface and to a lesser extent to the stiff thermal shielding SiO2 film on the fiber/matrix interface.

  4. In Situ Synthesis of Bimetallic Hybrid Nanocatalysts on a Paper-Structured Matrix for Catalytic Applications

    Directory of Open Access Journals (Sweden)

    Hirotaka Koga

    2011-11-01

    Full Text Available Bimetallic nanoparticles have attracted significant attention as their electrochemical and catalytic properties being superior to those of the individual component nanoparticles. In this study, gold-silver hybrid nanoparticles (AuAgNPs with an Aucore-Agshell nanostructure were successfully synthesized on zinc oxide (ZnO whiskers. The as-prepared nanocatalyst, denoted AuAgNPs@ZnO whisker, exhibits an excellent catalytic efficiency in the aqueous reduction of 4-nitrophenol to 4-aminophenol; the turnover frequency was up to 40 times higher than that of each component nanoparticle. Their unique features were attributed to the electronic ligand effect at the bimetallic interface. In addition, the AuAgNPs were synthesized on a ZnO whisker-containing paper with a fiber-network microstructure, which was prepared via a papermaking technique. The paper-structured AuAgNPs composite possessed both a paper-like practical utility and a good catalytic performance. Furthermore, the on-paper synthesis process for these bimetallic nanocatalysts is facile. These easy-to-handle nanocatalyst hybrid composites are expected to find a wide range of applications in various chemical and catalytic processes.

  5. The atomic structure of ternary amorphous TixSi1-xO2 hybrid oxides.

    Science.gov (United States)

    Landmann, M; Köhler, T; Rauls, E; Frauenheim, T; Schmidt, W G

    2014-06-25

    Atomic length-scale order characteristics of binary and ternary amorphous oxides are presented within the framework of ab initio theory. A combined numerically efficient density functional based tight-binding molecular dynamics and density functional theory approach is applied to model the amorphous (a) phases of SiO2 and TiO2 as well as the amorphous phase of atomically mixed TixSi1-xO2 hybrid-oxide alloys over the entire composition range. Short and mid-range order in the disordered material phases are characterized by bond length and bond-angle statistics, pair distribution function analysis, coordination number and coordination polyhedra statistics, as well as ring statistics. The present study provides fundamental insights into the order characteristics of the amorphous hybrid-oxide frameworks formed by versatile types of TiOn and SiOm coordination polyhedra. In a-SiO2 the fourfold crystal coordination of Si ions is almost completely preserved and the atomic structure is widely dominated by ring-like mid-range order characteristics. In contrast, the structural disorder of a-TiO2 arises from short-range disorder in the local coordination environment of the Ti ion. The coordination number analysis indicates a large amount of over and under-coordinated Ti ions (coordination defects) in a-TiO2. Aside from the ubiquitous distortions of the crystal-like coordinated polyhedra, even the basic coordination-polyhedra geometry type changes for a significant fraction of TiO6 units (geometry defects). The combined effects of topological and chemical disorder in a-TixSi1-xO2 alloys lead to a continuos increase in both the Si as well as the Ti coordination number with the chemical composition x. The important roles of intermediate fivefold coordination states of Ti and Si cations are highlighted for ternary a-TixSi1-xO2 as well as for binary a-TiO2. The continuous decrease in ring size with increasing Ti content reflects the progressive loss of mid-range order structure

  6. Dopamine-induced silica-polydopamine hybrids with controllable morphology.

    Science.gov (United States)

    Ho, Chia-Che; Ding, Shinn-Jyh

    2014-04-01

    Novel silica-polydopamine hybrids, with controllable morphology, are facilely fabricated in an emulsion system consisting of tetraethyl orthosilicate, dopamine, water, and NaOH under weakly basic conditions (pH 8.5-10). An increase in initial pH favors the formation of nano-structured spherical silica-PDA hybrids from a flocculated structure.

  7. What, if anything, are hybrids: enduring truths and challenges associated with population structure and gene flow

    OpenAIRE

    Gompert, Zachariah; Buerkle, C Alex

    2016-01-01

    Abstract Hybridization is a potent evolutionary process that can affect the origin, maintenance, and loss of biodiversity. Because of its ecological and evolutionary consequences, an understanding of hybridization is important for basic and applied sciences, including conservation biology and agriculture. Herein, we review and discuss ideas that are relevant to the recognition of hybrids and hybridization. We supplement this discussion with simulations. The ideas we present have a long histor...

  8. Update on HCDstruct - A Tool for Hybrid Wing Body Conceptual Design and Structural Optimization

    Science.gov (United States)

    Gern, Frank H.

    2015-01-01

    HCDstruct is a Matlab® based software tool to rapidly build a finite element model for structural optimization of hybrid wing body (HWB) aircraft at the conceptual design level. The tool uses outputs from a Flight Optimization System (FLOPS) performance analysis together with a conceptual outer mold line of the vehicle, e.g. created by Vehicle Sketch Pad (VSP), to generate a set of MSC Nastran® bulk data files. These files can readily be used to perform a structural optimization and weight estimation using Nastran’s® Solution 200 multidisciplinary optimization solver. Initially developed at NASA Langley Research Center to perform increased fidelity conceptual level HWB centerbody structural analyses, HCDstruct has grown into a complete HWB structural sizing and weight estimation tool, including a fully flexible aeroelastic loads analysis. Recent upgrades to the tool include the expansion to a full wing tip-to-wing tip model for asymmetric analyses like engine out conditions and dynamic overswings, as well as a fully actuated trailing edge, featuring up to 15 independently actuated control surfaces and twin tails. Several example applications of the HCDstruct tool are presented.

  9. Synthesis and structural characterization of piperazino-modified DNA that favours hybridization towards DNA over RNA

    DEFF Research Database (Denmark)

    Skov, Joan; Bryld, Torsten; Lindegaard, Dorthe

    2011-01-01

    We report the synthesis of two C4'-modified DNA analogues and characterize their structural impact on dsDNA duplexes. The 4'-C-piperazinomethyl modification stabilizes dsDNA by up to 5°C per incorporation. Extension of the modification with a butanoyl-linked pyrene increases the dsDNA stabilization...... modifications are tolerated in DNA:RNA hybrids but leave their melting temperatures virtually unaffected. Fluorescence data indicate that the pyrene moiety is residing outside the helix. The available data suggest that the DNA discrimination is due to (i) the positive charge of the piperazino ring having...... to a maximum of 9°C per incorporation. Using fluorescence, ultraviolet and nuclear magnetic resonance (NMR) spectroscopy, we show that the stabilization is achieved by pyrene intercalation in the dsDNA duplex. The pyrene moiety is not restricted to one intercalation site but rather switches between multiple...

  10. A millisecond micro-RNA separation technique by a hybrid structure of nanopillars and nanoslits.

    Science.gov (United States)

    Wu, Qiong; Kaji, Noritada; Yasui, Takao; Rahong, Sakon; Yanagida, Takeshi; Kanai, Masaki; Nagashima, Kazuki; Tokeshi, Manabu; Kawai, Tomoji; Baba, Yoshinobu

    2017-03-08

    A millisecond micro-RNA separation of a mixture of total RNA and genomic DNA, extracted from cultured HeLa cells, was successfully achieved using a hybrid structure of nanopillars and nanoslits contained inside a microchannel. The nanopillars, 250-nm in diameter and 100-nm in height, were fabricated with a 750-nm space inside the nanoslits, which were 100-nm in height and 25-μm in width; the nanopillars were then applied as a new sieve matrix. This ultra-fast technique for the separation of miRNA can be an effective pretreatment for semiconductor nanopore DNA sequencing, which has an optimum reading speed of 1 base/ms to obtain effective signal-to-noise ratio and discriminate each base by ion or tunneling current during the passage of nucleic acids.

  11. 16-QAM Quantum Receiver with Hybrid Structure Outperforming the Standard Quantum Limit

    Directory of Open Access Journals (Sweden)

    Zuo Yuan

    2016-01-01

    Full Text Available Quantum receivers which can discriminate phase shift keying (PSK and pulse position modulation (PPM signals below the standard quantum limit have been proposed and some have been demonstrated experimentally. But for quadrature amplitude modulation (QAM signals, few literatures have been reported so far. It is important to reduce the average error probability of QAM signals below the standard quantum limit (SQL, since these modulation have a high spectral efficiency. In this paper, we present a quantum receiver for 16-QAM signals discrimination with hybrid structure, which contains a homodyne receiver and a displacement receiver. By numerical simulation, we prove that the performance of the quantum receiver can outperform the SQL, and it can be improved by an optimized displacement.

  12. Structural Characterization and Infrared and Electrical Properties of the New Inorganic-Organic Hybrid Compound

    Directory of Open Access Journals (Sweden)

    A. Oueslati

    2013-01-01

    Full Text Available New inorganic-organic hybrid [(C3H74N]2Hg2Cl6 compound was obtained and characterised by single-crystal X-ray diffraction, infrared, and impedance spectroscopy. The latter crystallizes in the monoclinic system (space group C 2/c, with the following unit cell dimensions: (1 Å, (6 Å, (2 Å, and (2. Besides, its structure was solved using 84860 independent reflections leading to . Electrical properties of the material were studied using impedance spectroscopic technique at different temperatures in the frequency range of 209 Hz to 5 MHz. Detailed analysis of the impedance spectrum suggested that the electrical properties of the material are strongly temperature-dependent. The Nyquist plots clearly showed the presence of bulk and grain boundary effect in the compound.

  13. Hybrid microfiber-lithium-niobate nanowaveguide structures as high-purity heralded single-photon sources

    Science.gov (United States)

    Main, Philip; Mosley, Peter J.; Ding, Wei; Zhang, Lijian; Gorbach, Andrey V.

    2016-12-01

    We propose a compact, fiber-integrated architecture for photon-pair generation by parametric downconversion with unprecedented flexibility in the properties of the photons produced. Our approach is based on a thin-film lithium niobate nanowaveguide, evanescently coupled to a tapered silica microfiber. We demonstrate how controllable mode hybridization between the fiber and waveguide yields control over the joint spectrum of the photon pairs. We also investigate how independent engineering of the linear and nonlinear properties of the structure can be achieved through the addition of a tapered, proton-exchanged layer to the waveguide. This allows further refinement of the joint spectrum through custom profiling of the effective nonlinearity, drastically improving the purity of the heralded photons. We give details of a source design capable of generating heralded single photons in the telecom wavelength range with purity of at least 0.95, and we provide a feasible fabrication methodology.

  14. LDH dye hybrid material as coloured filler into polystyrene: Structural characterization and rheological properties

    Science.gov (United States)

    Taviot-Gueho, C.; Illaik, A.; Vuillermoz, C.; Commereuc, S.; Verney, V.; Leroux, F.

    2007-05-01

    The organic inorganic hybrid assembly composed of a dye molecule of large size, direct yellow®50, as interleaved anionic molecule and layered double hydroxide host was investigated by X-ray diffraction. Upon hydrothermal post-synthesis treatment, the basal spacing is strongly decreased, explained by a drastic change in the orientation of the organic molecule against the LDH sheets, from perpendicular to parallel. The interactions were studied by 13C CPMAS NMR technique. Dispersed into polystyrene, the coloured filler was found to behave better in the viscoelastic domain than conventional surfactant LDH filler, maintaining similar rheological properties to filler-free PS. We demonstrate here that an intercalated nanocomposite polymer structure, providing an additional function as colour, is not preposterous.

  15. A hybrid design methodology for structuring an Integrated Environmental Management System (IEMS) for shipping business.

    Science.gov (United States)

    Celik, Metin

    2009-03-01

    The International Safety Management (ISM) Code defines a broad framework for the safe management and operation of merchant ships, maintaining high standards of safety and environmental protection. On the other hand, ISO 14001:2004 provides a generic, worldwide environmental management standard that has been utilized by several industries. Both the ISM Code and ISO 14001:2004 have the practical goal of establishing a sustainable Integrated Environmental Management System (IEMS) for shipping businesses. This paper presents a hybrid design methodology that shows how requirements from both standards can be combined into a single execution scheme. Specifically, the Analytic Hierarchy Process (AHP) and Fuzzy Axiomatic Design (FAD) are used to structure an IEMS for ship management companies. This research provides decision aid to maritime executives in order to enhance the environmental performance in the shipping industry.

  16. A hybrid algorithm for selecting head-related transfer function based on similarity of anthropometric structures

    Science.gov (United States)

    Zeng, Xiang-Yang; Wang, Shu-Guang; Gao, Li-Ping

    2010-09-01

    As the basic data for virtual auditory technology, head-related transfer function (HRTF) has many applications in the areas of room acoustic modeling, spatial hearing and multimedia. How to individualize HRTF fast and effectively has become an opening problem at present. Based on the similarity and relativity of anthropometric structures, a hybrid HRTF customization algorithm, which has combined the method of principal component analysis (PCA), multiple linear regression (MLR) and database matching (DM), has been presented in this paper. The HRTFs selected by both the best match and the worst match have been applied into obtaining binaurally auralized sounds, which are then used for subjective listening experiments and the results are compared. For the area in the horizontal plane, the localization results have shown that the selection of HRTFs can enhance the localization accuracy and can also abate the problem of front-back confusion.

  17. A millisecond micro-RNA separation technique by a hybrid structure of nanopillars and nanoslits

    Science.gov (United States)

    Wu, Qiong; Kaji, Noritada; Yasui, Takao; Rahong, Sakon; Yanagida, Takeshi; Kanai, Masaki; Nagashima, Kazuki; Tokeshi, Manabu; Kawai, Tomoji; Baba, Yoshinobu

    2017-01-01

    A millisecond micro-RNA separation of a mixture of total RNA and genomic DNA, extracted from cultured HeLa cells, was successfully achieved using a hybrid structure of nanopillars and nanoslits contained inside a microchannel. The nanopillars, 250-nm in diameter and 100-nm in height, were fabricated with a 750-nm space inside the nanoslits, which were 100-nm in height and 25-μm in width; the nanopillars were then applied as a new sieve matrix. This ultra-fast technique for the separation of miRNA can be an effective pretreatment for semiconductor nanopore DNA sequencing, which has an optimum reading speed of 1 base/ms to obtain effective signal-to-noise ratio and discriminate each base by ion or tunneling current during the passage of nucleic acids. PMID:28272420

  18. Unsaturated Mn complex decorated hybrid thioarsenates: Syntheses, crystal structures and physical properties

    Energy Technology Data Exchange (ETDEWEB)

    Yue, Cheng-Yang [Key Laboratory of Inorganic Chemistry in Universities of Shandong, Department of Chemistry and Chemical Engineering, Jining University, Qufu, Shandong 273155 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Lei, Xiao-Wu, E-mail: xwlei_jnu@163.com [Key Laboratory of Inorganic Chemistry in Universities of Shandong, Department of Chemistry and Chemical Engineering, Jining University, Qufu, Shandong 273155 (China); Tian, Ya-Wei; Xu, Jing; Bai, Yi-Qun; Wang, Fei; Zhou, Peng-Fei; Liu, Xiao-Fan [Key Laboratory of Inorganic Chemistry in Universities of Shandong, Department of Chemistry and Chemical Engineering, Jining University, Qufu, Shandong 273155 (China); Yi, Fei-Yan, E-mail: yifeiyan@nbu.edu.cn [Faculty of Materials Science & Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211 (China)

    2016-03-15

    The incorporation of unsaturated [Mn(1,2-dap)]{sup 2+}, [Mn(1,2-dap){sub 2}]{sup 2+}, [Mn(2,2-bipy)]{sup 2+} (1,2-dap=1,2-diaminopropane) complex cations with thioarsenate anions of [As{sup III}S{sub 3}]{sup 3−} and [As{sup V}S{sub 4}]{sup 3−} led to three new hybrid manganese thioarsenates, namely, [Mn(1,2-dap)]{sub 2}MnAs{sub 2}S{sub 6} (1), [Mn(1,2-dap){sub 2}]{[Mn(1,2-dap)]_2As_2S_8} (2) and (NH{sub 4})[Mn(2,2-bipy){sub 2}]AsS{sub 4} (3). In compound 1, the unsaturated [Mn(1,2-dap)]{sup 2+} complexes, [MnS{sub 4}]{sup 6−} tetrahedra and [As{sup III}S{sub 3}]{sup 3−} trigonal-pyramids are condensed to form the 1D [Mn(1,2-dap)]{sub 2}MnAs{sub 2}S{sub 6} chain, whereas compound 2 features 2D layer composed of [Mn(1,2-dap)]{sup 2+} and [Mn(1,2-dap){sub 2}]{sup 2+} complexes as well as [As{sup V}S{sub 4}]{sup 3−} tetrahedral units. For compound 3, two [As{sup V}S{sub 4}]{sup 3−} anions bridge two [Mn(2,2-bipy)]{sup 2+} complex cations into a butterfly like {[Mn(2,2-bipy)]_2As_2S_8}{sup 2−} anionic unit. Magnetic measurements indicate the ferrimagnetic behavior for compound 1 and antiferromagnetic (AF) behaviors for compounds 2–3. The UV–vis diffuse-reflectance measurements and electronic structural calculations based on density functional theory (DFT) revealed the title compounds belong to semiconductors with band gaps of 2.63, 2.21, and 1.97 eV, respectively. The narrow band-gap of compound 3 led to the efficient and stable photocatalytic degradation activity over organic pollutant than N-doped P25 under visible light irradiation. - Highlights: Three new hybrid manganese thioarsenates have been prepared and structurally characterized. These hybrid phases feature interesting magnetic and visible light responding photocatalytic properties.

  19. Contribution of interlayer hybridization to the electronic structure in iron pnictides: a study of EELS and first-principles calculations.

    Science.gov (United States)

    Ma, Chao; Yang, Huaixin; Tian, Huanfang; Shi, Honglong; Wang, Zhiwei; Li, Jianqi

    2013-03-20

    Using electron energy loss spectroscopy (EELS) measurements and first-principles electronic structure calculations, the significant interlayer hybridization between the insulating layers (ReO or Ba) and the conducting FeAs layers was investigated in the layered iron pnictides, which is quite different from the case in the cuprate superconductors. This interlayer hybridization would result in an increase in the bandwidth near the Fermi level and interorbital charge transfer in the Fe 3d orbitals, which subsequently leads to a decrease in the Fe local moment and the modification of the Fermi surface topology. Therefore, a three-dimensional character of the electronic structure due to the interlayer hybridization is expected, as observed in previous experiments. These findings indicate that reduced dimensionality is no longer a necessary condition in the search for high-T(c) superconductors in iron pnictides.

  20. A Hybrid Approach to Structure and Function Modeling of G Protein-Coupled Receptors.

    Science.gov (United States)

    Latek, Dorota; Bajda, Marek; Filipek, Sławomir

    2016-04-25

    The recent GPCR Dock 2013 assessment of serotonin receptor 5-HT1B and 5-HT2B, and smoothened receptor SMO targets, exposed the strengths and weaknesses of the currently used computational approaches. The test cases of 5-HT1B and 5-HT2B demonstrated that both the receptor structure and the ligand binding mode can be predicted with the atomic-detail accuracy, as long as the target-template sequence similarity is relatively high. On the other hand, the observation of a low target-template sequence similarity, e.g., between SMO from the frizzled GPCR family and members of the rhodopsin family, hampers the GPCR structure prediction and ligand docking. Indeed, in GPCR Dock 2013, accurate prediction of the SMO target was still beyond the capabilities of most research groups. Another bottleneck in the current GPCR research, as demonstrated by the 5-HT2B target, is the reliable prediction of global conformational changes induced by activation of GPCRs. In this work, we report details of our protocol used during GPCR Dock 2013. Our structure prediction and ligand docking protocol was especially successful in the case of 5-HT1B and 5-HT2B-ergotamine complexes for which we provide one of the most accurate predictions. In addition to a description of the GPCR Dock 2013 results, we propose a novel hybrid computational methodology to improve GPCR structure and function prediction. This computational methodology employs two separate rankings for filtering GPCR models. The first ranking is ligand-based while the second is based on the scoring scheme of the recently published BCL method. In this work, we prove that the use of knowledge-based potentials implemented in BCL is an efficient way to cope with major bottlenecks in the GPCR structure prediction. Thereby, we also demonstrate that the knowledge-based potentials for membrane proteins were significantly improved, because of the recent surge in available experimental structures.

  1. Hybrid Structure of a Dynamic Single-Chain Carboxylase from Deinococcus radiodurans.

    Science.gov (United States)

    Hagmann, Anna; Hunkeler, Moritz; Stuttfeld, Edward; Maier, Timm

    2016-08-01

    Biotin-dependent acyl-coenzyme A (CoA) carboxylases (aCCs) are involved in key steps of anabolic pathways and comprise three distinct functional units: biotin carboxylase (BC), biotin carboxyl carrier protein (BCCP), and carboxyl transferase (CT). YCC multienzymes are a poorly characterized family of prokaryotic aCCs of unidentified substrate specificity, which integrate all functional units into a single polypeptide chain. We employed a hybrid approach to study the dynamic structure of Deinococcus radiodurans (Dra) YCC: crystal structures of isolated domains reveal a hexameric CT core with extended substrate binding pocket and a dimeric BC domain. Negative-stain electron microscopy provides an approximation of the variable positioning of the BC dimers relative to the CT core. Small-angle X-ray scattering yields quantitative information on the ensemble of Dra YCC structures in solution. Comparison with other carrier protein-dependent multienzymes highlights a characteristic range of large-scale interdomain flexibility in this important class of biosynthetic enzymes.

  2. Energy-Efficient Large-Scale Antenna Systems with Hybrid Digital-Analog Beamforming Structure

    Institute of Scientific and Technical Information of China (English)

    Shuangfeng Han; ChihLin I; Zhikun Xu; Qi Sun; Haibin Li

    2015-01-01

    A large⁃scale antenna system (LSAS) with digital beamforming is expected to significantly increase energy efficiency (EE) and spectral efficiency (SE) in a wireless communication system. However, there are many challenging issues related to calibration, en⁃ergy consumption, and cost in implementing a digital beamforming structure in an LSAS. In a practical LSAS deployment, hybrid digital⁃analog beamforming structures with active antennas can be used. In this paper, we investigate the optimal antenna configu⁃ration in an N × M beamforming structure, where N is the number of transceivers, M is the number of active antennas per trans⁃ceiver, where analog beamforming is introduced for individual transceivers and digital beamforming is introduced across all N transceivers. We analyze the green point, which is the point of maximum EE on the EE⁃SE curve, and show that the log⁃scale EE scales linearly with SE along a slope of ⁃lg2/N. We investigate the effect of M on EE for a given SE value in the case of fixed NM and independent N and M. In both cases, there is a unique optimal M that results in optimal EE. In the case of independent N and M, there is no optimal (N, M) combination for optimizing EE. The results of numerical simulations are provided, and these re⁃sults support our analysis.

  3. Numerical Study on Nonlinear Semiactive Control of Steel-Concrete Hybrid Structures Using MR Dampers

    Directory of Open Access Journals (Sweden)

    Long-He Xu

    2013-01-01

    Full Text Available Controlling the damage process, avoiding the global collapse, and increasing the seismic safety of the super high-rise building structures are of great significance to the casualties’ reduction and seismic losses mitigation. In this paper, a semiactive control platform based on magnetorheological (MR dampers comprising the Bouc-Wen model, the semi-active control law, and the shear wall damage criteria and steel damage material model is developed in LS-DYNA program, based on the data transferring between the main program and the control platform; it can realize the purpose of integrated modeling, analysis, and design of the nonlinear semi-active control system. The nonlinear seismic control effectiveness is verified by the numerical example of a 15-story steel-concrete hybrid structure; the results indicate that the control platform and the numerical method are stable and fast, the relative displacement, shear force, and damage of the steel-concrete structure are largely reduced using the optimal designed MR dampers, and the deformations and shear forces of the concrete tube and frame are better consorted by the control devices.

  4. Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide

    Science.gov (United States)

    Whitfield, P. S.; Herron, N.; Guise, W. E.; Page, K.; Cheng, Y. Q.; Milas, I.; Crawford, M. K.

    2016-01-01

    We have examined the crystal structures and structural phase transitions of the deuterated, partially deuterated and hydrogenous organic-inorganic hybrid perovskite methyl ammonium lead iodide (MAPbI3) using time-of-flight neutron and synchrotron X-ray powder diffraction. Near 330 K the high temperature cubic phases transformed to a body-centered tetragonal phase. The variation of the order parameter Q for this transition scaled with temperature T as Q ∼ (Tc−T)β, where Tc is the critical temperature and the exponent β was close to ¼, as predicted for a tricritical phase transition. However, we also observed coexistence of the cubic and tetragonal phases over a range of temperature in all cases, demonstrating that the phase transition was in fact first-order, although still very close to tricritical. Upon cooling further, all the tetragonal phases transformed into a low temperature orthorhombic phase around 160 K, again via a first-order phase transition. Based upon these results, we discuss the impact of the structural phase transitions upon photovoltaic performance of MAPbI3 based solar cells. PMID:27767049

  5. Structure-property relationships in hybrid dental nanocomposite resins containing monofunctional and multifunctional polyhedral oligomeric silsesquioxanes.

    Science.gov (United States)

    Wang, Weiguo; Sun, Xiang; Huang, Li; Gao, Yu; Ban, Jinghao; Shen, Lijuan; Chen, Jihua

    2014-01-01

    Organic-inorganic hybrid materials, such as polyhedral oligomeric silsesquioxanes (POSS), have the potential to improve the mechanical properties of the methacrylate-based composites and resins used in dentistry. In this article, nanocomposites of methacryl isobutyl POSS (MI-POSS [bears only one methacrylate functional group]) and methacryl POSS (MA-POSS [bears eight methacrylate functional groups]) were investigated to determine the effect of structures on the properties of dental resin. The structures of the POSS-containing networks were determined by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, and Fourier transform infrared spectroscopy. Monofunctional POSS showed a strong tendency toward aggregation and crystallization, while multifunctional POSS showed higher miscibility with the dimethacrylate monomer. The mechanical properties and wear resistance decreased with increasing amounts of MI-POSS, indicating that the MI-POSS agglomerates act as the mechanical weak point in the dental resins. The addition of small amounts of MA-POSS improved the mechanical and shrinkage properties. However, samples with a higher MA-POSS concentration showed lower flexural strength and flexural modulus, indicating that there is a limited range in which the reinforcement properties of MA-POSS can operate. This concentration dependence is attributed to phase separation at higher concentrations of POSS, which affects the structural integrity, and thus, the mechanical and shrinkage properties of the dental resin. Our results show that resin with 3% MA-POSS is a potential candidate for resin-based dental materials.

  6. Reversible Structural Swell-Shrink and Recoverable Optical Properties in Hybrid Inorganic-Organic Perovskite.

    Science.gov (United States)

    Zhang, Yupeng; Wang, Yusheng; Xu, Zai-Quan; Liu, Jingying; Song, Jingchao; Xue, Yunzhou; Wang, Ziyu; Zheng, Jialu; Jiang, Liangcong; Zheng, Changxi; Huang, Fuzhi; Sun, Baoquan; Cheng, Yi-Bing; Bao, Qiaoliang

    2016-07-26

    Ion migration in hybrid organic-inorganic perovskites has been suggested to be an important factor for many unusual behaviors in perovskite-based optoelectronics, such as current-voltage hysteresis, low-frequency giant dielectric response, and the switchable photovoltaic effect. However, the role played by ion migration in the photoelectric conversion process of perovskites is still unclear. In this work, we provide microscale insights into the influence of ion migration on the microstructure, stability, and light-matter interaction in perovskite micro/nanowires by using spatially resolved optical characterization techniques. We observed that ion migration, especially the migration of MA(+) ions, will induce a reversible structural swell-shrink in perovskites and recoverably affect the reflective index, quantum efficiency, light-harvesting, and photoelectric properties. The maximum ion migration quantity in perovskites was as high as approximately 30%, resulting in lattice swell or shrink of approximately 4.4%. Meanwhile, the evidence shows that ion migration in perovskites could gradually accelerate the aging of perovskites because of lattice distortion in the reversible structural swell-shrink process. Knowledge regarding reversible structural swell-shrink and recoverable optical properties may shed light on the development of optoelectronic and converse piezoelectric devices based on perovskites.

  7. Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide

    Science.gov (United States)

    Whitfield, P. S.; Herron, N.; Guise, W. E.; Page, K.; Cheng, Y. Q.; Milas, I.; Crawford, M. K.

    2016-10-01

    We have examined the crystal structures and structural phase transitions of the deuterated, partially deuterated and hydrogenous organic-inorganic hybrid perovskite methyl ammonium lead iodide (MAPbI3) using time-of-flight neutron and synchrotron X-ray powder diffraction. Near 330 K the high temperature cubic phases transformed to a body-centered tetragonal phase. The variation of the order parameter Q for this transition scaled with temperature T as Q ˜ (Tc-T)β, where Tc is the critical temperature and the exponent β was close to ¼, as predicted for a tricritical phase transition. However, we also observed coexistence of the cubic and tetragonal phases over a range of temperature in all cases, demonstrating that the phase transition was in fact first-order, although still very close to tricritical. Upon cooling further, all the tetragonal phases transformed into a low temperature orthorhombic phase around 160 K, again via a first-order phase transition. Based upon these results, we discuss the impact of the structural phase transitions upon photovoltaic performance of MAPbI3 based solar cells.

  8. Reduced graphene oxide/ZnO hybrid structure for high-performance photodetection

    Energy Technology Data Exchange (ETDEWEB)

    Darbari, S.; Ahmadi, V., E-mail: v_ahmadi@modares.ac.ir [Tarbiat Modares University, Department of Electrical and Computer Engineering (Iran, Islamic Republic of); Afzali, P.; Abdi, Y. [University of Tehran, Department of Physics (Iran, Islamic Republic of); Feda, M. [Tarbiat Modares University, Department of Electrical and Computer Engineering (Iran, Islamic Republic of)

    2014-12-15

    We report the optoelectronic behavior of a novel reduced graphene oxide (rGO)/ZnO structure which has been realized by photocatalytic reduction of chemically exfoliated GO sheets. Lateral ZnO nanowires, which are grown between interdigital electrodes by a novel plasma-assisted procedure, are utilized as the photocatalyst metal oxide in the presented heterostructure. Raman spectroscopy and FTIR analyses are utilized to show that photocatalytic reduction of GO sheets, with few (less than 5) layers, occurs after about 30 min of UV-illumination. Low-temperature electrical characterizations are applied to demonstrate one-dimensional behavior of the realized rGO ribbons, with an estimated width of around 30 nm. The optoelectronic characteristics of the fabricated rGO/ZnO hybrid structure also lead to high responsivity of about 12 A/W and a sensitivity of about 5 × 10{sup 4−} % (at the bias voltage of −5 V), which entitles the fabricated structure as an efficient photodetector. All in all, our experimental results open up a promising simple approach to fabricate GNR-based devices by assisting lateral ZnO nanowire, without involving nanolithography issues.

  9. Hybrid state vector methods for structural dynamic and aeroelastic boundary value problems

    Science.gov (United States)

    Lehman, L. L.

    1982-01-01

    A computational technique is developed that is suitable for performing preliminary design aeroelastic and structural dynamic analyses of large aspect ratio lifting surfaces. The method proves to be quite general and can be adapted to solving various two point boundary value problems. The solution method, which is applicable to both fixed and rotating wing configurations, is based upon a formulation of the structural equilibrium equations in terms of a hybrid state vector containing generalized force and displacement variables. A mixed variational formulation is presented that conveniently yields a useful form for these state vector differential equations. Solutions to these equations are obtained by employing an integrating matrix method. The application of an integrating matrix provides a discretization of the differential equations that only requires solutions of standard linear matrix systems. It is demonstrated that matrix partitioning can be used to reduce the order of the required solutions. Results are presented for several example problems in structural dynamics and aeroelasticity to verify the technique and to demonstrate its use. These problems examine various types of loading and boundary conditions and include aeroelastic analyses of lifting surfaces constructed from anisotropic composite materials.

  10. M-DNA/Transition Metal Dichalcogenide Hybrid Structure-based Bio-FET sensor with Ultra-high Sensitivity

    Science.gov (United States)

    Park, Hyung-Youl; Dugasani, Sreekantha Reddy; Kang, Dong-Ho; Yoo, Gwangwe; Kim, Jinok; Gnapareddy, Bramaramba; Jeon, Jaeho; Kim, Minwoo; Song, Young Jae; Lee, Sungjoo; Heo, Jonggon; Jeon, Young Jin; Park, Sung Ha; Park, Jin-Hong

    2016-01-01

    Here, we report a high performance biosensor based on (i) a Cu2+-DNA/MoS2 hybrid structure and (ii) a field effect transistor, which we refer to as a bio-FET, presenting a high sensitivity of 1.7 × 103 A/A. This high sensitivity was achieved by using a DNA nanostructure with copper ions (Cu2+) that induced a positive polarity in the DNA (receptor). This strategy improved the detecting ability for doxorubicin-like molecules (target) that have a negative polarity. Very short distance between the biomolecules and the sensor surface was obtained without using a dielectric layer, contributing to the high sensitivity. We first investigated the effect of doxorubicin on DNA/MoS2 and Cu2+-DNA/MoS2 nanostructures using Raman spectroscopy and Kelvin force probe microscopy. Then, we analyzed the sensing mechanism and performance in DNA/MoS2- and Cu2+-DNA/MoS2-based bio-FETs by electrical measurements (ID-VG at various VD) for various concentrations of doxorubicin. Finally, successful operation of the Cu2+-DNA/MoS2 bio-FET was demonstrated for six cycles (each cycle consisted of four steps: 2 preparation steps, a sensing step, and an erasing step) with different doxorubicin concentrations. The bio-FET showed excellent reusability, which has not been achieved previously in 2D biosensors. PMID:27775004

  11. Inbreeding avoidance drives consistent variation of fine-scale genetic structure caused by dispersal in the seasonal mating system of Brandt's voles.

    Directory of Open Access Journals (Sweden)

    Xiao Hui Liu

    Full Text Available Inbreeding depression is a major evolutionary and ecological force influencing population dynamics and the evolution of inbreeding-avoidance traits such as mating systems and dispersal. Mating systems and dispersal are fundamental determinants of population genetic structure. Resolving the relationships among genetic structure, seasonal breeding-related mating systems and dispersal will facilitate our understanding of the evolution of inbreeding avoidance. The goals of this study were as follows: (i to determine whether females actively avoided mating with relatives in a group-living rodent species, Brandt's voles (Lasiopodomys brandtii, by combined analysis of their mating system, dispersal and genetic structure; and (ii to analyze the relationships among the variation in fine-genetic structure, inbreeding avoidance, season-dependent mating strategies and individual dispersal. Using both individual- and population-level analyses, we found that the majority of Brandt's vole groups consisted of close relatives. However, both group-specific FISs, an inbreeding coefficient that expresses the expected percentage rate of homozygosity arising from a given breeding system, and relatedness of mates showed no sign of inbreeding. Using group pedigrees and paternity analysis, we show that the mating system of Brandt's voles consists of a type of polygyny for males and extra-group polyandry for females, which may decrease inbreeding by increasing the frequency of mating among distantly-related individuals. The consistent variation in within-group relatedness, among-group relatedness and fine-scale genetic structures was mostly due to dispersal, which primarily occurred during the breeding season. Biologically relevant variation in the fine-scale genetic structure suggests that dispersal during the mating season may be a strategy to avoid inbreeding and drive the polygynous and extra-group polyandrous mating system of this species.

  12. Responsibility and Task Structuring as the Basic Attributes of Learning Styles and Their Relation Towards Consistency and the Quality of Hierarchy of a Learner’s Mind Map

    Directory of Open Access Journals (Sweden)

    Duchovičová Jana

    2016-08-01

    Full Text Available The study focuses on the identification of the relationship between the learning style and mental representation of curriculum content. The research problem identifies the relationship between the learning style factors - responsibility and task structuring and the selected categories of curriculum content representation - consistency and the quality of hierarchy identified through mind mapping. For the purposes of the research, we used the LSI Questionnaire by R. Dunn, K. Dunn and G. E. Price, a mind mapping test and chi-square statistics were used for the evaluation of research findings. The research sample consisted of 115 respondents. By means of analysis, we found out that a learning style in the observed factors of responsibility and task structuring does not influence students’ mental representation of the curriculum content.

  13. A unique semiconductor-carbon-metal hybrid structure design as a counter electrode in dye-sensitized solar cells.

    Science.gov (United States)

    Guo, Sheng-Qi; Wang, Ling-Chang; Zhang, Chen-Guang; Qi, Gao-Can; Gu, Bing-Chuan; Liu, Lu; Yuan, Zhi-Hao

    2017-05-25

    The catalytic activity of counter electrodes (CEs) severely restricts the photovoltaic conversion efficiency of dye-sensitized solar cells. However, electrons trapped by bulk defects greatly reduce the catalytic activity of the CE. In this study, we report a novel In2S3-C-Au hybrid structure designed by simply decorating Au particles on the surface of carbon-coated hierarchical In2S3 flower-like architectures, which could avoid the abovementioned problems. This effect can be attributed to the unique contribution of indium sulfide, carbon, and Au from the hybrid structure, as well as to their synergy. Electrochemical measurements revealed that the hybrid structure possessed high catalytic activity and electrochemical stability for the interconversion of the redox couple I3(-)/I(-). Moreover, this superior performance can be incorporated into the dye-sensitized solar cells system. We used this hybrid structure as a counter electrode by casting it on an FTO substrate to form a film, which displayed better photovoltaic conversion efficiency (8.91%) than the commercial Pt counterpart (7.67%).

  14. Synthesis of palladium nanoparticle modified reduced graphene oxide and multi-walled carbon nanotube hybrid structures for electrochemical applications

    Science.gov (United States)

    Hu, Jie; Zhao, Zhenting; Zhang, Jun; Li, Gang; Li, Pengwei; Zhang, Wendong; Lian, Kun

    2017-02-01

    In this work, palladium (Pd) nanoparticles functionalized reduced graphene oxide (rGO) and multi-walled carbon nanotubes (MWCNTs) hybrid structures (Pd/rGO-MWCNTs) were successfully prepared by a combination of electrochemical reduction with electrodeposition method. The morphology, structure, and composition of the Pd/rGO-MWCNTs hybrid were characterized by scanning electron microscopy, transmission electron microscopy and energy dispersive spectroscopy. The as-synthesized hybrid structures were modified on the glassy carbon electrode (GCE) and further utilized for hydrazine sensing. Electrochemical impedance spectroscopic, cyclic voltammetry and single-potential amperometry experiments were carried out on Pd/rGO-MWCNTs hybrid structures to investigate the interface properties and sensing performance. The measured results demonstrate that the fabricated Pd/rGO-MWCNTs/GCE sensor show a high sensitivity of 7.09 μA μM-1 cm-2 in a large concentration range of 1.0 to 1100 μM and a low detection limit of 0.15 μM. Moreover, the as-prepared sensor exhibits good selectivity and stability for the determination of hydrazine under interference conditions.

  15. Hybrid Control of Supply Chains: a Structured Exploration from a Systems Perspective

    Directory of Open Access Journals (Sweden)

    Paul W. P. J. Grefen

    2013-07-01

    Full Text Available Supply chains are becoming increasingly complex these days, both in the structure of the chains and in the need for fine-grained, real-time control. This development occurs in many industries, such as manufacturing, logistics, and the service industry. The increasing structural complexity is caused by larger numbers of participating companies in supply chains because of increasing complexity of products and services. Increasing requirements to control are caused by developments like mass-customization, pressure on delivery times, and smaller margins for waste. Maintaining well-structured strategic, tactic, and operational control over these complex supply chains is not an easy task – certainly as they are pressured by end-to-end synchronization requirements and just-in-time demands. Things become even more complex when chains need to be flexible to react to changing requirements to the products or services they deliver. To enable design of well-structured control, clear models of control topologies are required. In this paper, we address this need by exploring supply chain control topologies in an organized fashion. The exploration is based on integrating a supply chain model and a control model in two alternative ways to obtain two extreme models for supply chain control. These two models are next combined to obtain a hybrid chain control model in which control parameters can be adapted to accommodate different circumstances, hence facilitating agility in supply chains and networks. We apply the developed model to a number of case studies to show its usability. The contribution of this paper is the structured analysis of the design space for chain-level control models - not the description of individual new models.

  16. Self-consistent (DFT + U) study of electronic, structural and magnetic properties in A2NiMoO6 (A = Ba, Sr) compounds

    Science.gov (United States)

    Aharbil, Y.; Labrim, H.; Benmokhtar, S.; Ait Haddouch, M.; Bahmad, L.; Laanab, L.

    2016-08-01

    This work aims to study the double perovskites A2NiMoO6 (A = Ba, Sr) by using the first principle calculation, within the framework of the self-consistent Hubbard correction. The value of this correction, for Ni and Mo depends strongly on the type of the studied compounds. Such values are determinate as 7.35 eV for Ni and 5.42 eV for Mo in the compound Ba2NiMoO6, whereas in the case of Sr2NiMoO6 the calculated values are 8.71 eV and 5.48 eV for Ni and Mo compound respectively. Based on the densities of state calculation we show that both the compounds are semiconductors with gap energies of 2.20 eV and 2.10 eV for Ba2NiMoO6 for Sr2NiMoO6, respectively. The total energies comparison shows clearly that the ground state is G-type anti-ferromagnetic order in agreement with experimental results, the magnetic interactions are due to the super-exchange mechanism acting in long range via hybridization throw Ni-O-Mo-O-Ni path.

  17. Crash simulation of hybrid structures considering the stress and strain rate dependent material behavior of thermoplastic materials

    Science.gov (United States)

    Hopmann, Ch.; Schöngart, M.; Weber, M.; Klein, J.

    2015-05-01

    Thermoplastic materials are more and more used as a light weight replacement for metal, especially in the automotive industry. Since these materials do not provide the mechanical properties, which are required to manufacture supporting elements like an auto body or a cross bearer, plastics are combined with metals in so called hybrid structures. Normally, the plastics components are joined to the metal structures using different technologies like welding or screwing. Very often, the hybrid structures are made of flat metal parts, which are stiffened by a reinforcement structure made of thermoplastic materials. The loads on these structures are very often impulsive, for example in the crash situation of an automobile. Due to the large stiffness variation of metal and thermoplastic materials, complex states of stress and very high local strain rates occur in the contact zone under impact conditions. Since the mechanical behavior of thermoplastic materials is highly dependent on these types of load, the crash failure of metal plastic hybrid parts is very complex. The problem is that the normally used strain rate dependent elastic/plastic material models are not capable to simulate the mechanical behavior of thermoplastic materials depended on the state of stress. As part of a research project, a method to simulate the mechanical behavior of hybrid structures under impact conditions is developed at the IKV. For this purpose, a specimen for the measurement of mechanical properties dependet on the state of stress and a method for the strain rate depended characterization of thermoplastic materials were developed. In the second step impact testing is performed. A hybrid structure made from a metal sheet and a reinforcement structure of a Polybutylenterephthalat Polycarbonate blend is tested under impact conditions. The measured stress and strain rate depended material data are used to simulate the mechanical behavior of the hybrid structure under highly dynamic load with

  18. Positron annihilation lifetime spectroscopy study on the structural relaxation of phenylmethylsiloxane-modified epoxy hybrids at different aging temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Chia-Wen [Department of Chemical Engineering, National Tsing Hua University, Hsinchu, Taiwan (China); Material and Chemical Research Laboratories, Industrial Technology Research Institute, Hsinchu, Taiwan (China); Ma, Chen-Chi M., E-mail: ccma@che.nthu.edu.tw [Department of Chemical Engineering, National Tsing Hua University, Hsinchu, Taiwan (China); Tan, Chung-Sung [Department of Chemical Engineering, National Tsing Hua University, Hsinchu, Taiwan (China); Li, Hsun-Tien [Material and Chemical Research Laboratories, Industrial Technology Research Institute, Hsinchu, Taiwan (China)

    2015-07-15

    The cured network conformations and structural relaxation behaviours of the diglycidyl ether of bisphenol A (DGEBA)-methylhexahydrophthalic anhydride (MHHPA) modified with phenylmethylsiloxane-modified epoxy (PMSE) at different aging temperatures were studied using dynamic mechanical analysis (DMA) and positron annihilation lifetime spectroscopy (PALS). The DMA results revealed that the cured PMSE network can insert into the cured DGEBA network to form interpenetrating polymer networks (IPNs). The structural relaxation behaviours of DGEBA–PMSE-0.4 produced using DGEBA, PMSE, and MHHPA at a ratio of 0.6:0.4:1 by equivalent weight were studied using PALS at 150 °C and 55 °C. The aging-induced free volume relaxation parameters of DGEBA–PMSE-0.4 at 150 °C and 55 °C were investigated using the double additive exponential model and the Kohlrausch–Williams–Watts exponential model. For double additive exponential model, only one relaxation time (ζ) of 584.5 h was found at 150 °C; By contrast, there were two separate relaxation times of 37.4 h (ζ{sub 1}) and 753.6 h (ζ{sub 2}) at 55 °C. The ζ{sub 1} of the IPNs hybrid can be attributed to the network relaxation of PMSE, and the ζ{sub 2} can be attributed to the network relaxation of DGEBA at 55 °C. The results suggested the double additive exponential model can effectively predict DGEBA–PMSE hybrid relaxation behaviours. - Highlights: • The cured network conformations of DGEBA–PMSE hybrids were studied using DMA. • The structural relaxation behaviours of DGEBA–PMSE hybrids were studied using PALS. • The cured DGEBA–PMSE hybrids were interpenetrating polymer networks (IPNs). • PALS studies provided a quantitative demonstration of relaxation behaviours. • Double additive exponential model effectively predicted the relaxation times of hybrids.

  19. Hybrid carbon fiber/carbon nanotube composites for structural damping applications.

    Science.gov (United States)

    Tehrani, M; Safdari, M; Boroujeni, A Y; Razavi, Z; Case, S W; Dahmen, K; Garmestani, H; Al-Haik, M S

    2013-04-19

    Carbon nanotubes (CNTs) were grown on the surface of carbon fibers utilizing a relatively low temperature synthesis technique; graphitic structures by design (GSD). To probe the effects of the synthesis protocols on the mechanical properties, other samples with surface grown CNTs were prepared using catalytic chemical vapor deposition (CCVD). The woven graphite fabrics were thermally shielded with a thin film of SiO2 and CNTs were grown on top of this film. Raman spectroscopy and electron microscopy revealed the grown species to be multi-walled carbon nanotubes (MWCNTs). The damping performance of the hybrid CNT-carbon fiber-reinforced epoxy composite was examined using dynamic mechanical analysis (DMA). Mechanical testing confirmed that the degradations in the strength and stiffness as a result of the GSD process are far less than those encountered through using the CCVD technique and yet are negligible compared to the reference samples. The DMA results indicated that, despite the minimal degradation in the storage modulus, the loss tangent (damping) for the hybrid composites utilizing GSD-grown MWCNTs improved by 56% compared to the reference samples (based on raw carbon fibers with no surface treatment or surface grown carbon nanotubes) over the frequency range 1-60 Hz. These results indicated that the energy dissipation in the GSD-grown MWCNTs composite can be primarily attributed to the frictional sliding at the nanotube/epoxy interface and to a lesser extent to the stiff thermal shielding SiO2 film on the fiber/matrix interface.

  20. DFT studies of CNT-functionalized uracil-acetate hybrids

    Science.gov (United States)

    Mirzaei, Mahmoud; Gulseren, Oguz

    2015-09-01

    Calculations based on density functional theory (DFT) have been performed to investigate the stabilities and properties of hybrid structures consisting of a molecular carbon nanotube (CNT) and uracil acetate (UA) counterparts. The investigated models have been relaxed to minimum energy structures and then various physical properties and nuclear magnetic resonance (NMR) properties have been evaluated. The results indicated the effects of functionalized CNT on the properties of hybrids through comparing the results of hybrids and individual structures. The oxygen atoms of uracil counterparts have been seen as the detection points of properties for the CNT-UA hybrids.

  1. Monte Carlo simulations of biaxial structure in thin hybrid nematic film based upon spatially anisotropic pair potential

    Institute of Scientific and Technical Information of China (English)

    Zhang Zhi-Dong; Chang Chun-Rui; Ma Dong-Lai

    2009-01-01

    Hybrid nematic films have been studied by Monte Carlo simulations using a lattice spin model,in which the pair potential is spatially anisotropic and dependent on elastic constants of liquid crystals.We confirm in the thin hybrid nematic film the existence of a biaxially nonbent structure and the structarc transition from the biaxial to the bent-director structure,which is similar to the result obtained using the Lebwohl-Lasher model.However,the step-like director's profile,characteristic for the biaxial structure,is spatially asymmetric in the film because the pair potential leads to K1≠K3.We estimate the upper cell thickness to be 69 spin layers,in which the biaxial structure can be found.

  2. Three-dimensional structures of graphene/polyaniline hybrid films constructed by steamed water for high-performance supercapacitors

    Science.gov (United States)

    Zhang, Liling; Huang, Da; Hu, Nantao; Yang, Chao; Li, Ming; Wei, Hao; Yang, Zhi; Su, Yanjie; Zhang, Yafei

    2017-02-01

    A novel three-dimensional (3D) structure of reduced graphene oxide/polyaniline (rGO/PANI) hybrid films has been demonstrated for high-performance supercapacitors. Steamed water in closed vessels with high pressure and moderately high temperature is applied to facilely construct this structure. The as-designed rGO/PANI hybrid films exhibit a highest gravimetric specific capacitance of 1182 F g-1 at 1 A g-1 in the three-electrode test. The assembled symmetric device based on this structure shows both a high capacitance of 808 F g-1 at 1 A g-1 and a high gravimetric energy density (28.06 Wh kg-1 at a power density of 0.25 kW kg-1). Above all, this novel 3D structure constructed by steamed water regulation techniques shows excellent capacitance performance and holds a great promise for high-performance energy storage applications.

  3. Prediction of structure response of missile instrument cabin based on Hybrid FE-SEA%应用Hybrid FE-SEA预示仪器舱动力学环境

    Institute of Scientific and Technical Information of China (English)

    刘时秀

    2011-01-01

    应用Hybrid FE-SEA方法,对某导弹仪器舱在宽频混响声场中结构响应进行了分析计算,并将Hybrid FE-SEA方法预示结果与试验结果作了比较,初步验证了Hybrid FE-SEA方法计算复杂结构声振响应的可行性.%The structure response of a missile instrument cabin in the broadband reverberation sound field is analyzed and calculated by the method of Hybrid FE-SEA. The results of the method are compared with the testing results, which primarily validates the feasibility of calculating the acoustic response of complex structure by the method of Hybrid FE-SEA.

  4. Multiwalled carbon nanotubes and dispersed nanodiamond novel hybrids: Microscopic structure evolution, physical properties, and radiation resilience

    Science.gov (United States)

    Gupta, S.; Farmer, J.

    2011-01-01

    We report the structure and physical properties of novel hybrids of multiwalled carbon nanotubes (MWCNTs) and ultradispersed diamond (UDD) forming nanocomposite ensemble that were subjected to 50, 100, and 103 kGy gamma ray doses and characterized using various analytical tools to investigate hierarchical defects evolution. This work is prompted by recent work on single-walled CNTs and UDD ensemble [Gupta et al., J. Appl. Phys. 107, 104308 (2010)] where radiation-induced microscopic defects seem to be stabilized by UDD. The present experiments show similar effects where these hybrids display only a minimal structural modification under the maximum dose. Quantitative analyses of multiwavelength Raman spectra revealed lattice defects induced by irradiation assessed through the variation in prominent D, G, and 2D bands. A minimal change in the position of D, G, and 2D bands and a marginal increase in intensity of the defect-induced double resonant Raman scattered D and 2D bands are some of the implications suggesting the radiation coupling. The in-plane correlation length (La) was also determined following Tunistra-Koenig relation from the ratio of D to G band (ID/IG) besides microscopic stress. However, we also suggest the following taking into account of intrinsic defects of the constituents: (a) charge transfer arising at the interface due to the difference in electronegativity of MWCNT C sp2 and UDD core (C sp3) leading to phonon and electron energy renormalization; (b) misorientation of C sp2 at the interface of MWCNT and UDD shell (C sp2) resulting in structural disorder; (c) softening or violation of the q ˜0 selection rule leading to D band broadening and a minimal change in G band intensity; and (d) normalized intensity of D and G bands with 2D band help to distinguish defect-induced double resonance phenomena. The MWCNT when combined with nanodiamond showed a slight decrease in their conductance further affected by irradiation pointing at relatively good

  5. Organic-inorganic semiconductor hybrid systems. Structure, morphology, and electronic properties

    Energy Technology Data Exchange (ETDEWEB)

    El Helou, Mira

    2012-08-22

    This dissertation addresses the preparation and characterization of hybrid semiconducting systems combining organic with inorganic materials. Characterization methods used included to determine the structure, morphology, and thermal stability comprised X-ray diffraction (XRD), atomic force microscopy (AFM), thermal desorption spectroscopy (TDS), and X-ray photoelectron spectroscopy (XPS). One organic-inorganic semiconducting system was pentacene (C{sub 22}H{sub 14}) and zinc oxide. This interface was investigated in detail for pentacene on an oxygen-terminated zinc oxide surface, i.e. ZnO(000 anti 1). An extended study on the promising p-n junction was carried out for pentacene on ZnO with different orientations which exhibit different chemical and structural characteristics: ZnO(000 anti 1), ZnO(0001), and ZnO(10 anti 10). Moreover, the organic crystal structure of pentacene was selectively tuned by carefully choosing the substrate temperature. This defined interface with a physisorbed pentacene layer on ZnO was characterized by optical absorption which depends on the temperature of the measured system, the pentacene film thickness, and the molecular orientation and packing. The high quality of the pentacene films allowed in one case to characterize the Davydov splitting by linear polarized light focused on a single crystallite. Another subject in the field of organic-inorganic hybrid materials comprised conjugated dithiols used as self-assembled monolayers (SAMs) for immobilizing semiconducting CdS nanoparticles (NPs) on Au substrates. It was demonstrated that an appropriate selection and preparation of the conjugated SAMs is crucial for building up a light-addressable potentiometric sensor with a sufficient efficiency. An optimized electron transfer was achieved with SAMs of long range ordering, high stability, and adequate conductivity. This was examined for different linkers and was best for stilbenedithiol immobilized in solution at higher temperatures. Due

  6. A One-Structure-Based Hybridized Nanogenerator for Scavenging Mechanical and Thermal Energies by Triboelectric-Piezoelectric-Pyroelectric Effects.

    Science.gov (United States)

    Wang, Shuhua; Wang, Zhong Lin; Yang, Ya

    2016-04-20

    A hybridized nanogenerator is demonstrated, which has the structure of PVDF nanowires-PDMS composite film/indium tin oxide (ITO) electrode/polarized PVDF film/ITO electrode, and which can individually/simultaneously scavenge mechanical and thermal energies using piezoelectric, triboelectric, and pyroelectric effects. As compared with the individual energy harvesting unit, the hybridized nanogenerator has a much better charging performance. This work may push forward a significant step toward multienergy harvesting technology. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Functionalized Self-Assembled InAs/GaAs Quantum-Dot Structures Hybridized with Organic Molecules

    DEFF Research Database (Denmark)

    Chen, Miaoxiang Max; Kobashi, K.; Chen, B.

    2010-01-01

    Low-dimensional III-V semiconductors have many advantages over other semiconductors; however, they are not particularly stable under physiological conditions. Hybridizing biocompatible organic molecules with advanced optical and electronic semiconductor devices based on quantum dots (QDs......) and quantum wires could provide an efficient solution to realize stress-free and nontoxic interfaces to attach larger functional biomolecules. Monitoring the modifications of the optical properties of the hybrid molecule-QD systems by grafting various types of air-stable diazonium salts onto the QD structures...

  8. SAGA: a hybrid search algorithm for Bayesian Network structure learning of transcriptional regulatory networks.

    Science.gov (United States)

    Adabor, Emmanuel S; Acquaah-Mensah, George K; Oduro, Francis T

    2015-02-01

    Bayesian Networks have been used for the inference of transcriptional regulatory relationships among genes, and are valuable for obtaining biological insights. However, finding optimal Bayesian Network (BN) is NP-hard. Thus, heuristic approaches have sought to effectively solve this problem. In this work, we develop a hybrid search method combining Simulated Annealing with a Greedy Algorithm (SAGA). SAGA explores most of the search space by undergoing a two-phase search: first with a Simulated Annealing search and then with a Greedy search. Three sets of background-corrected and normalized microarray datasets were used to test the algorithm. BN structure learning was also conducted using the datasets, and other established search methods as implemented in BANJO (Bayesian Network Inference with Java Objects). The Bayesian Dirichlet Equivalence (BDe) metric was used to score the networks produced with SAGA. SAGA predicted transcriptional regulatory relationships among genes in networks that evaluated to higher BDe scores with high sensitivities and specificities. Thus, the proposed method competes well with existing search algorithms for Bayesian Network structure learning of transcriptional regulatory networks.

  9. Modular Hybrid Energy Concept Employing a Novel Control Structure Based on a Simple Analog System

    Directory of Open Access Journals (Sweden)

    PETREUS, D.

    2016-05-01

    Full Text Available This paper proposes a novel control topology which enables the setup of a low cost analog system leading to the implementation of a modular energy conversion system. The modular concept is based on hybrid renewable energy (solar and wind and uses high voltage inverters already available on the market. An important feature of the proposed topology is a permanently active current loop, which assures short circuit protection and simplifies the control loops compensation. The innovative analogue solution of the control structure is based on a dedicated integrated circuit (IC for power factor correction (PFC circuits, used in a new configuration, to assure an efficient inverter start-up. The energy conversion system (control structure and maximum power point tracking algorithm is simulated using a new macromodel-based concept, which reduces the usual computational burden of the simulator and achieves high processing speed. The proposed novel system is presented in this article from concept, through the design and implementation stages, is verified through simulation and is validated by experimental results.

  10. A Hybrid Vector Quantization Combining a Tree Structure and a Voronoi Diagram

    Directory of Open Access Journals (Sweden)

    Yeou-Jiunn Chen

    2014-01-01

    Full Text Available Multimedia data is a popular communication medium, but requires substantial storage space and network bandwidth. Vector quantization (VQ is suitable for multimedia data applications because of its simple architecture, fast decoding ability, and high compression rate. Full-search VQ can typically be used to determine optimal codewords, but requires considerable computational time and resources. In this study, a hybrid VQ combining a tree structure and a Voronoi diagram is proposed to improve VQ efficiency. To efficiently reduce the search space, a tree structure integrated with principal component analysis is proposed, to rapidly determine an initial codeword in low-dimensional space. To increase accuracy, a Voronoi diagram is applied to precisely enlarge the search space by modeling relations between each codeword. This enables an optimal codeword to be efficiently identified by rippling an optimal neighbor from parts of neighboring Voronoi regions. The experimental results demonstrated that the proposed approach improved VQ performance, outperforming other approaches. The proposed approach also satisfies the requirements of handheld device application, namely, the use of limited memory and network bandwidth, when a suitable number of dimensions in principal component analysis is selected.

  11. Analysis of SMA Hybrid Composite Structures in MSC.Nastran and ABAQUS

    Science.gov (United States)

    Turner, Travis L.; Patel, Hemant D.

    2005-01-01

    A thermoelastic constitutive model for shape memory alloy (SMA) actuators and SMA hybrid composite (SMAHC) structures was recently implemented in the commercial finite element codes MSC.Nastran and ABAQUS. The model may be easily implemented in any code that has the capability for analysis of laminated composite structures with temperature dependent material properties. The model is also relatively easy to use and requires input of only fundamental engineering properties. A brief description of the model is presented, followed by discussion of implementation and usage in the commercial codes. Results are presented from static and dynamic analysis of SMAHC beams of two types; a beam clamped at each end and a cantilever beam. Nonlinear static (post-buckling) and random response analyses are demonstrated for the first specimen. Static deflection (shape) control is demonstrated for the cantilever beam. Approaches for modeling SMAHC material systems with embedded SMA in ribbon and small round wire product forms are demonstrated and compared. The results from the commercial codes are compared to those from a research code as validation of the commercial implementations; excellent correlation is achieved in all cases.

  12. Improved PEDOT:PSS/c-Si hybrid solar cell using inverted structure and effective passivation.

    Science.gov (United States)

    Zhang, Xisheng; Yang, Dong; Yang, Zhou; Guo, Xiaojia; Liu, Bin; Ren, Xiaodong; Liu, Shengzhong Frank

    2016-10-11

    The PEDOT:PSS is often used as the window layer in the normal structured PEDOT:PSS/c-Si hybrid solar cell (HSC), leading to significantly reduced response, especially in red and near-infrared region. By depositing the PEDOT:PSS on the rear side of the c-Si wafer, we developed an inverted structured HSC with much higher solar cell response in the red and near-infrared spectrum. Passivating the other side with hydrogenated amorphous silicon (a-Si:H) before electrode deposition, the minority carrier lifetime has been significantly increased and the power conversion efficiency (PCE) of the inverted HSC is improved to as high as 16.1% with an open-circuit voltage (Voc) of 634 mV, fill factor (FF) of 70.5%, and short-circuit current density (Jsc) of 36.2 mA cm(-2), an improvement of 33% over the control device. The improvements are ascribed to inverted configuration and a-Si:H passivation, which can increase photon carrier generation and reduce carrier recombination, respectively. Both of them will benefit the photovoltaic performance and should be considered as effective design strategies to improve the performance of organic/c-Si HSCs.

  13. Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.

    Science.gov (United States)

    Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel

    2016-06-09

    The polyether ionophore salinomycin has recently gained attention due to its exceptional ability to selectively reduce the proportion of cancer stem cells within a number of cancer cell lines. Efficient single step strategies for the preparation of hydroxamic acid hybrids of this compound varying in N- and O-alkylation are presented. The parent hydroxamic acid, salinomycin-NHOH, forms both inclusion complexes and well-defined electroneutral complexes with potassium and sodium cations via 1,3-coordination by the hydroxamic acid moiety to the metal ion. A crystal structure of an cationic sodium complex with a noncoordinating anion corroborates this finding and, moreover, reveals a novel type of hydrogen bond network that stabilizes the head-to-tail conformation that encapsulates the cation analogously to the native structure. The hydroxamic acid derivatives display down to single digit micromolar activity against cancer cells but unlike salinomycin selective reduction of ALDH(+) cells, a phenotype associated with cancer stem cells was not observed. Mechanistic implications are discussed.

  14. Covercrete with hybrid functions - A novel approach to durable reinforced concrete structures

    Energy Technology Data Exchange (ETDEWEB)

    Tang, L.; Zhang, E.Q. [Chalmers University of Technology, SE-412 96 Gothenburg (Sweden); Fu, Y. [KTH Royal Institute of Technology, SE-106 91 Stockholm (Sweden); Schouenborg, B.; Lindqvist, J.E. [CBI Swedish Cement and Concrete Research Institute, c/o SP, Box 857, SE-501 15 Boraas (Sweden)

    2012-12-15

    Due to the corrosion of steel in reinforced concrete structures, the concrete with low water-cement ratio (w/c), high cement content, and large cover thickness is conventionally used for prolonging the passivation period of steel. Obviously, this conventional approach to durable concrete structures is at the sacrifice of more CO{sub 2} emission and natural resources through consuming higher amount of cement and more constituent materials, which is against sustainability. By placing an economically affordable conductive mesh made of carbon fiber or conductive polymer fiber in the near surface zone of concrete acting as anode we can build up a cathodic prevention system with intermittent low current density supplied by, e.g., the solar cells. In such a way, the aggressive negative ions such as Cl{sup -}, CO{sub 3}{sup 2-}, and SO{sub 4}{sup 2-} can be stopped near the cathodic (steel) zone. Thus the reinforcement steel is prevented from corrosion even in the concrete with relatively high w/c and small cover thickness. This conductive mesh functions not only as electrode, but also as surface reinforcement to prevent concrete surface from cracking. Therefore, this new type of covercrete has hybrid functions. This paper presents the theoretical analysis of feasibility of this approach and discusses the potential durability problems and possible solutions to the potential problems. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Improved PEDOT:PSS/c-Si hybrid solar cell using inverted structure and effective passivation

    Science.gov (United States)

    Zhang, Xisheng; Yang, Dong; Yang, Zhou; Guo, Xiaojia; Liu, Bin; Ren, Xiaodong; Liu, Shengzhong (Frank)

    2016-10-01

    The PEDOT:PSS is often used as the window layer in the normal structured PEDOT:PSS/c-Si hybrid solar cell (HSC), leading to significantly reduced response, especially in red and near-infrared region. By depositing the PEDOT:PSS on the rear side of the c-Si wafer, we developed an inverted structured HSC with much higher solar cell response in the red and near-infrared spectrum. Passivating the other side with hydrogenated amorphous silicon (a-Si:H) before electrode deposition, the minority carrier lifetime has been significantly increased and the power conversion efficiency (PCE) of the inverted HSC is improved to as high as 16.1% with an open-circuit voltage (Voc) of 634 mV, fill factor (FF) of 70.5%, and short-circuit current density (Jsc) of 36.2 mA cm-2, an improvement of 33% over the control device. The improvements are ascribed to inverted configuration and a-Si:H passivation, which can increase photon carrier generation and reduce carrier recombination, respectively. Both of them will benefit the photovoltaic performance and should be considered as effective design strategies to improve the performance of organic/c-Si HSCs.

  16. Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

    OpenAIRE

    D., I. Bilc; R., Orlando; R., Shaltaf; G., M. Rignanese; J., Íñiguez; Ph., Ghosez

    2008-01-01

    Using a linear combination of atomic orbitals approach, we report a systematic comparison of various Density Functional Theory (DFT) and hybrid exchange-correlation functionals for the prediction of the electronic and structural properties of prototypical ferroelectric oxides. It is found that none of the available functionals is able to provide, at the same time, accurate electronic and structural properties of the cubic and tetragonal phases of BaTiO$_3$ and PbTiO$_3$. Some, although not al...

  17. Influence of weave structures on the tribological properties of hybrid Kevlar/PTFE fabric composites

    Science.gov (United States)

    Gu, Dapeng; Yang, Yulin; Qi, Xiaowen; Deng, Wei; Shi, Lei

    2012-09-01

    The existing research of the woven fabric self-lubricating liner mainly focus on the tribological performance improvements and the service life raised by changing different fiber type combinations, adding additive modification, and performing fiber surface modification. As fabric composites, the weave structures play an important role in the mechanical and tribological performances of the liners. However, hardly any literature is available on the friction and wear behavior of such composites with different weave structures. In this paper, three weave structures (plain, twill 1/3 and satin 8/5) of hybrid Kevlar/PTFE fabric composites are selected and pin-on-flat linear reciprocating wear studies are done on a CETR tester under different pressures and different frequencies. The relationship between the tensile strength and the wear performance are studied. The morphologies of the worn surfaces under the typical test conditions are analyzed by means of scanning electron microscopy (SEM). The analysis results show that at 10 MPa, satin 8/5 performs the best in friction-reduction and antiwear performance, and plain is the worst. At 30 MPa, however, the antiwear performance is reversed and satin 8/5 does not even complete the 2 h wear test at 16 Hz. There is no clear evidence proving that the tensile strength has an influence on the wear performance. So the different tribological performance of the three weave structures of fabric composites may be attributed to the different PTFE proportions in the fabric surface and the different wear mechanisms. The fabric composites are divided into three regions: the lubrication region, the reinforced region and the bonding region. The major mechanisms are fatigue wear and the shear effects of the friction force in the lubrication region. In the reinforced region fiber-matrix de-bonding and fiber breakage are involved. The proposed research proposes a regional wear model and further indicates the wear process and the wear mechanism

  18. First Principles Study on the Electronic Structure and Interface Stability of Hybrid Silicene/Fluorosilicene Nanoribbons

    National Research Council Canada - National Science Library

    Jiang, Q G; Zhang, J F; Ao, Z M; Wu, Y P

    2015-01-01

    The interface stability of hybrid silicene/fluorosilicene nanoribbons (SFNRs) has been investigated by using density functional theory calculations, where fluorosilicene is the fully fluorinated silicene...

  19. Multiple-Stage Structure Transformation of Organic-Inorganic Hybrid Perovskite CH3NH3PbI3

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Qiong; Liu, Henan; Kim, Hui-Seon; Liu, Yucheng; Yang, Mengjin; Yue, Naili; Ren, Gang; Zhu, Kai; Liu, Shengzhong; Park, Nam-Gyu; Zhang, Yong

    2016-09-15

    By performing spatially resolved Raman and photoluminescence spectroscopy with varying excitation wavelength, density, and data acquisition parameters, we achieve a unified understanding towards the spectroscopy signatures of the organic-inorganic hybrid perovskite, transforming from the pristine state (CH3NH3PbI3) to the fully degraded state (i.e., PbI2) for samples with varying crystalline domain size from mesoscopic scale (approximately 100 nm) to macroscopic size (centimeters), synthesized by three different techniques. We show that the hybrid perovskite exhibits multiple stages of structure transformation occurring either spontaneously or under light illumination, with exceptionally high sensitivity to the illumination conditions (e.g., power, illumination time, and interruption pattern). We highlight four transformation stages (stages I-IV, with stage I being the pristine state) along either the spontaneous or photoinduced degradation path exhibiting distinctly different Raman spectroscopy features at each stage, and point out that previously reported Raman spectra in the literature reflect highly degraded structures of either stage III or stage IV. Additional characteristic optical features of partially degraded materials under the joint action of spontaneous and photodegradation are also given. This study offers reliable benchmark results for understanding the intrinsic material properties and structure transformation of this unique category of hybrid materials, and the findings are pertinently important to a wide range of potential applications where the hybrid material is expected to function in greatly different environment and light-matter interaction conditions.

  20. Photochromic hybrid organic-inorganic liquid-crystalline materials built from nonionic surfactants and polyoxometalates: elaboration and structural study.

    Science.gov (United States)

    Poulos, Andreas S; Constantin, Doru; Davidson, Patrick; Impéror, Marianne; Pansu, Brigitte; Panine, Pierre; Nicole, Lionel; Sanchez, Clément

    2008-06-17

    This work reports the elaboration and structural study of new hybrid organic-inorganic materials constructed via the coupling of liquid-crystalline nonionic surfactants and polyoxometalates (POMs). X-ray scattering and polarized light microscopy demonstrate that these hybrid materials, highly loaded with POMs (up to 18 wt %), are nanocomposites of liquid-crystalline lamellar structure (Lalpha), with viscoelastic properties close to those of gels. The interpretation of X-ray scattering data strongly suggests that the POMs are located close to the terminal -OH groups of the nonionic surfactants, within the aqueous sublayers. Moreover, these materials exhibit a reversible photochromism associated to the photoreduction of the polyanion. The photoinduced mixed-valence behavior has been characterized through ESR and UV-visible-near-IR spectroscopies that demonstrate the presence of W(V) metal cations and of the characteristic intervalence charge transfer band in the near-IR region, respectively. These hybrid nanocomposites exhibit optical properties that may be useful for applications involving UV-light-sensitive coatings or liquid-crystal-based photochromic switches. From a more fundamental point of view, these hybrid materials should be very helpful models for the study of both the static and dynamic properties of nano-objects confined within soft lamellar structures.