WorldWideScience

Sample records for electron transport kinetics

  1. Transport Theory for Kinetic Emission of Secondary Electrons from Solids

    DEFF Research Database (Denmark)

    Schou, Jørgen

    1980-01-01

    . These quantities are determined from the solutions to a system of Boltzmann transport equations. Input quantities are the cross sections for collisions between the involved particles and the surface barrier of the target. A general power cross section has been utilized in the analytical procedure. It is shown......Kinetic secondary electron emission from a solid target resulting from incidence of keV electrons or keV and MeV ions is treated theoretically on the basis of ionization cascade theory. The energy and angular distribution and the yield of secondary electrons are calculated for a random target...

  2. Radial transport of radiation belt electrons in kinetic field-line resonances

    Science.gov (United States)

    Chaston, C. C.; Bonnell, J. W.; Wygant, J. R.; Reeves, G. D.; Baker, D. N.; Melrose, D. B.; Cairns, Iver H.

    2017-08-01

    A representative case study from the Van Allen Probes during a geomagnetic storm recovery phase reveals enhanced electron fluxes at intermediate pitch angles over energies from 100 keV to 5 MeV coincident with broadband low-frequency electromagnetic waves. The statistical properties of these waves are used to build a model for radial diffusion via drift-bounce resonances in kinetic Alfvén eigenmodes/kinetic field-line resonances. Estimated diffusion coefficients indicate timescales for radial transport on the order of hours in storm time events at energies from belt.

  3. A kinetic model for the transport of electrons in a graphene layer

    Energy Technology Data Exchange (ETDEWEB)

    Fermanian Kammerer, Clotilde, E-mail: Clotilde.Fermanian@u-pec.fr [Laboratoire d' Analyse et de Mathématiques Appliquées, Université Paris Est and CNRS, 61, avenue du Général de Gaulle, 94010 Créteil Cedex (France); Méhats, Florian, E-mail: florian.mehats@univ-rennes1.fr [Institut de Recherche Mathématique de Rennes, IPSO Inria team, Université Rennes 1 and CNRS, Campus de Beaulieu, 35042 Rennes cedex (France)

    2016-12-15

    In this article, we propose a new numerical scheme for the computation of the transport of electrons in a graphene device. The underlying quantum model for graphene is a massless Dirac equation, whose eigenvalues display a conical singularity responsible for non-adiabatic transitions between the two modes. We first derive a kinetic model which takes the form of two Boltzmann equations coupled by a collision operator modeling the non-adiabatic transitions. This collision term includes a Landau–Zener transfer term and a jump operator whose presence is essential in order to ensure a good energy conservation during the transitions. We propose an algorithmic realization of the semi-group solving the kinetic model, by a particle method. We give analytic justification of the model and propose a series of numerical experiments studying the influences of the various sources of errors between the quantum and the kinetic models.

  4. Electron transport parameters in CO$_2$: scanning drift tube measurements and kinetic computations

    CERN Document Server

    Vass, M; Loffhagen, D; Pinhao, N; Donko, Z

    2016-01-01

    This work presents transport coefficients of electrons (bulk drift velocity, longitudinal diffusion coefficient, and effective ionization frequency) in CO2 measured under time-of-flight conditions over a wide range of the reduced electric field, 15Td <= E/N <= 2660Td in a scanning drift tube apparatus. The data obtained in the experiments are also applied to determine the effective steady-state Townsend ionization coefficient. These parameters are compared to the results of previous experimental studies, as well as to results of various kinetic computations: solutions of the electron Boltzmann equation under different approximations (multiterm and density gradient expansions) and Monte Carlo simulations. The experimental data extend the range of E/N compared with previous measurements and are consistent with most of the transport parameters obtained in these earlier studies. The computational results point out the range of applicability of the respective approaches to determine the different measured tr...

  5. Kinetic Monte Carlo simulation of single-electron multiple-trapping transport in disordered media

    Science.gov (United States)

    Javadi, Mohammad; Abdi, Yaser

    2017-12-01

    The conventional single-particle Monte Carlo simulation of charge transport in disordered media is based on the truncated density of localized states (DOLS) which benefits from very short time execution. Although this model successfully clarifies the properties of electron transport in moderately disordered media, it overestimates the electron diffusion coefficient for strongly disordered media. The origin of this deviation is discussed in terms of zero-temperature approximation in the truncated DOLS and the ignorance of spatial occupation of localized states. Here, based on the multiple-trapping regime we introduce a modified single-particle kinetic Monte Carlo model that can be used to investigate the electron transport in any disordered media independent from the value of disorder parameter. In the proposed model, instead of using a truncated DOLS we imply the raw DOLS. In addition, we have introduced an occupation index for localized states to consider the effect of spatial occupation of trap sites. The proposed model is justified in a simple cubic lattice of trap sites for broad interval of disorder parameters, Fermi levels, and temperatures.

  6. Kinetic theory and transport phenomena

    CERN Document Server

    Soto, Rodrigo

    2016-01-01

    This textbook presents kinetic theory, which is a systematic approach to describing nonequilibrium systems. The text is balanced between the fundamental concepts of kinetic theory (irreversibility, transport processes, separation of time scales, conservations, coarse graining, distribution functions, etc.) and the results and predictions of the theory, where the relevant properties of different systems are computed. The book is organised in thematic chapters where different paradigmatic systems are studied. The specific features of these systems are described, building and analysing the appropriate kinetic equations. Specifically, the book considers the classical transport of charges, the dynamics of classical gases, Brownian motion, plasmas, and self-gravitating systems, quantum gases, the electronic transport in solids and, finally, semiconductors. Besides these systems that are studied in detail, concepts are applied to some modern examples including the quark–gluon plasma, the motion of bacterial suspen...

  7. Modelling transport and degradation of de-icing chemicals in soil, assuming Monod kinetics with multiple electron-acceptors

    Science.gov (United States)

    Schotanus, D.; Meeussen, J. C. L.; van der Ploeg, M. J.; van der Zee, S. E. A. T. M.

    2012-04-01

    De-icing chemicals that contain propylene glycol are used at Oslo airport during winter time. A fraction of these chemicals is spilled on the runway and can be transported rapidly in the sandy soil in spring during snowmelt. Better insight into the chemical and physical processes that govern the fate of these chemicals in soil will help to estimate potential effects on the large unconfined aquifer in this area, and makes it possible to evaluate potential remedial actions. Micro-organisms in the soil can degrade propylene glycol, for which they need electron-acceptors. Under aerobic conditions, oxygen will be used as an electron-acceptor. From experiments, it is known that also anaerobic degradation occurs in this soil. During snowmelt, high infiltration rates can lead to locally saturated soil. In these parts, oxygen diffusion is limited and thus anaerobic conditions will occur. In these anaerobic regions, other electron-acceptors, such as manganese-oxides that are present in this soil, are used. However, frequent propylene glycol application may lead to a depletion of manganese-oxides and so to increased persistence and migration of propylene glycol in soil. To prevent this depletion and to enhance biodegradation, other electron-acceptors can be applied at the soil surface. Examples are the application of nitrate to the soil surface, and air injection. Model calculations could help to estimate required concentrations. The objectives of this study are 1) to create the reactive model, 2) to use this model to evaluate which parameters are determining leaching fluxes of propylene glycol from the soil, and 3) to evaluate the effectiveness of the different remediation strategies. Therefore, transient water flow, kinetic degradation, and redox chemistry were combined in one model. Degradation is modelled with Monod kinetics using multiple electron-acceptors. Oxygen diffusion in the gas phase, biomass growth, and oxidation and reduction of the important electron

  8. Kinetic transport in crystals

    OpenAIRE

    Marklof, Jens

    2009-01-01

    One of the central challenges in kinetic theory is the derivation of macroscopic evolution equations--describing, for example, the dynamics of an electron gas--from the underlying fundamental microscopic laws of classical or quantum mechanics. An iconic mathematical model in this research area is the Lorentz gas, which describes an ensemble of non-interacting point particles in an infinite array of spherical scatterers. In the case of a disordered scatterer configuration, the classical result...

  9. Nonlocal electron kinetics and spatial transport in radio-frequency two-chamber inductively coupled plasmas with argon discharges

    Science.gov (United States)

    Li, Hong; Liu, Yang; Zhang, Yu-Ru; Gao, Fei; Wang, You-Nian

    2017-06-01

    A two-chamber inductively coupled plasma (ICP) system, in which an expansion region with large volume is attached to a main ICP (driver region with a small vessel), is investigated. In order to give a comprehensive knowledge of this kind of plasma source, the axially and radially resolved measurements of the electron density, effective electron temperature, and electron energy probability function (EEPF) for an argon discharge are systematically conducted by means of Langmuir probe for various powers and gas pressures. Moreover, a hybrid model within COMSOL Multiphysics is employed to validate the experimental results. It is found that the diffusion combined with the nonlocal electron kinetics plays a predominant role in two-chamber ICPs. Along the axial direction, both the electron density and the electron temperature peak at the center of the driver region and they decline towards both sides. The depletion of high-energy tails of EEPFs with axial distance demonstrates the cooling mechanism for energetic electrons in the expansion region. Along the radial direction, the spatial distribution of the electron density exhibits a bell shape for various powers and pressures. However, the radial distribution of the effective electron temperature varies gradually from a convex shape to a concave shape with increasing gas pressure, indicating the transition from nonlocal to local electron kinetics.

  10. Kinetic parameters, collision rates, energy exchanges and transport coefficients of non-thermal electrons in premixed flames at sub-breakdown electric field strengths

    KAUST Repository

    Bisetti, Fabrizio

    2014-01-02

    The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which results in high-energy, non-thermal electrons, is analysed in detail at sub-breakdown conditions. The rates of inelastic collisions and the energy exchange between electrons and neutrals in the reaction zone of the flame are characterised quantitatively. The analysis includes attachment, ionisation, impact dissociation, and vibrational and electronic excitation processes. Our results suggest that Townsend breakdown occurs for E/N = 140 Td. Vibrational excitation is the dominant process up to breakdown, despite important rates of electronic excitation of CO, CO2 and N2 as well as impact dissociation of O2 being apparent from 50 Td onwards. Ohmic heating in the reaction zone is found to be negligible (less than 2% of peak heat release rate) up to breakdown field strengths for realistic electron densities equal to 1010 cm-3. The observed trends are largely independent of equivalence ratio. In the non-thermal regime, electron transport coefficients are insensitive to mixture composition and approximately constant across the flame, but are highly dependent on the electric field strength. In the thermal limit, kinetic parameters and transport coefficients vary substantially across the flame due to the spatially inhomogeneous concentration of water vapour. A practical approach for identifying the plasma regime (thermal versus non-thermal) in studies of electric field effects on flames is proposed. © 2014 Taylor & Francis.

  11. Fluorescence kinetic parameters and cyclic electron transport in guard cell chloroplasts of chlorophyll-deficient leaf tissues from variegated weeping fig (Ficus benjamina L.).

    Science.gov (United States)

    Lysenko, Vladimir

    2012-05-01

    Residual chlorophyll in chlorophyll-deficient (albino) areas of variegated leaves of Ficus benjamina originates from guard cell chloroplasts. Photosynthetic features of green and albino sectors of F. benjamina were studied by imaging the distribution of the fluorescence decrease ratio Rfd within a leaf calculated from maximum (Fm) and steady-state leaf chlorophyll fluorescence (Fs) at 690 and 740 nm. Local areas of albino sectors demonstrated an abnormally high Rfd(740)/Rfd(690) ratio. Fluorescence transients excited in albino sectors at red (640 and 690 nm) wavelengths showed an abrupt decrease of the Rfd values (0.4 and 0.1, correspondingly) as compared with those excited at blue wavelengths (1.7-2.4). This "Red Drop" was not observed for green sectors. Normal and chlorophyll-deficient leaf sectors of F. benjamina were also tested for linear and cyclic electron transport in thylakoids. The tests have been performed studying fluorescence at a steady-state phase with CO(2)-excess impulse feeding, photoacoustic signal generated by pulse light source at wavelengths selectively exciting PSI, fluorescence kinetics under anaerobiosis and fluorescence changes observed by dual-wavelength excitation method. The data obtained for albino sectors strongly suggest the possibility of a cyclic electron transport simultaneously occurring in guard cell thylakoids around photosystems I and II under blue light, whereas linear electron transport is absent or insufficient.

  12. Basic Electron Transport

    Science.gov (United States)

    Hickey, B. J.; Morgan, G. J.; Howson, M. A.

    This chapter will take you through a simple introduction to transport theory covering the Boltzmann equation, the Fuchs-Sondheimer model for thin films, the normal magnetoresistance and quantum interference effects in metals with strong electron scattering. At the end of the chapter we will also introduce you to a number of the basic techniques involved in electron transport measurements. All of this is by way of introduction to basic transport properties common to all metals. In later chapters these ideas will be developed and applied to systems in which spin dependent transport is important.

  13. Improved electron transport layer

    DEFF Research Database (Denmark)

    2012-01-01

    The present invention provides: a method of preparing a coating ink for forming a zinc oxide electron transport layer, comprising mixing zinc acetate and a wetting agent in water or methanol; a coating ink comprising zinc acetate and a wetting agent in aqueous solution or methanolic solution......; a method of preparing a zinc oxide electron transporting layer, which method comprises: i) coating a substrate with the coating ink of the present invention to form a film; ii) drying the film; and iii) heating the dry film to convert the zinc acetate substantially to ZnO; a method of preparing an organic...... photovoltaic device or an organic LED having a zinc oxide electron transport layer, the method comprising, in this order: a) providing a substrate bearing a first electrode layer; b) forming an electron transport layer according to the following method: i) coating a coating ink comprising an ink according...

  14. Electron Kinetics in Hypersonic Plasmas Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The goal of this SBIR project is to advance the state-of-the-art in computations of hypersonic plasmas by adding high-fidelity kinetic models for electrons. Electron...

  15. Energy Conservation Tests of a Coupled Kinetic-kinetic Plasma-neutral Transport Code

    Energy Technology Data Exchange (ETDEWEB)

    Stotler, D. P.; Chang, C. S.; Ku, S. H.; Lang, J.; Park, G.

    2012-08-29

    A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.

  16. Molecular electronic junction transport

    DEFF Research Database (Denmark)

    Solomon, Gemma C.; Herrmann, Carmen; Ratner, Mark

    2012-01-01

    Whenasinglemolecule,oracollectionofmolecules,isplacedbetween two electrodes and voltage is applied, one has a molecular transport junction. We discuss such junctions, their properties, their description, and some of their applications. The discussion is qualitative rather than quantitative......, and focuses on mechanism, structure/function relations, regimes and mechanisms of transport, some molecular regularities, and some substantial challenges facing the field. Because there are many regimes and mechanisms in transport junctions, we will discuss time scales, geometries, and inelastic scattering...

  17. Transport kinetics of hydrogen permeable lanthanum tungstate

    Energy Technology Data Exchange (ETDEWEB)

    Falkenstein, Andreas

    2017-01-24

    The electrical conductivity relaxation technique is a widely used method to determine the oxygen transport parameters of mixed ionic-electronic conductors. In recent years, it has been modified to investigate the hydration behavior of proton conducting mixed conductors, giving access to up to four transport parameters in a single relaxation experiment, the diffusion coefficients and surface reaction rates of hydrogen and oxygen. In this work, the transport properties of the fluorite type protonic conductor lanthanum tungstate have been investigated by means of electrical conductivity relaxation. The experiments were performed in a temperature range from 650 C to 950 C, in a pO{sub 2} range from 3 mbar to 100 mbar and in a pH{sub 2}O range from 10 mbar to 100 mbar and in dry atmosphere. At high temperatures, the conductivity relaxation curve follows the expected two-fold non-monotonic behavior upon hydration. At low temperatures, however, the contribution of the fast hydrogen kinetic decreases and by a further decrease of the temperature, the relaxation shows two-fold monotonic behavior. The power factors - the contribution of each single fold relaxation curve to the resulting two-fold relaxation curve, which is a superposition - have been derived to explain the behavior mentioned above. The activation energy of the oxygen incorporation is rather low. Hence, oxidation experiments were performed in dry atmospheres in order to investigate if the origin of the oxygen species is relevant. The results revealed higher activation energies, which was expected, but also higher absolute values of the surface reaction rate and the diffusion coefficient. Oxidation experiments with increasing humidity revealed that the increased diffusivity cannot be attributed to the total concentrations of electron holes and proton interstitials. First experiments using spectroscopic relaxation, which is dependent on the concentration of hydroxy-anions only, were performed. Absorption bands

  18. The Kinetics of Carrier Transport Inhibition

    DEFF Research Database (Denmark)

    Rosenberg, T.; Wilbrandt, Robert Walter

    1962-01-01

    The kinetical treatment of enzymatic carrier transports as given in previous communications has been extended to conditions of inhibition. Various possible types of inhibitors have been considered differing in the site of attack (enzyme or carrier), in the mode of action (competing...... and polyphloretinephosphate. The results of the analysis for these inhibitors indicate a substrate competitive mode of action. The effect of reversing the transport direction by interchanging the substrate concentration has been treated for the case of a non-penetrating substrate competitive inhibitor in the external medium...... with the substrate for the enzyme or the carrier or for both, competing with the carrier for the enzyme, or non-competitive) and in the ability of penetrating the membrane. Experiments are reported on the inhibition of glucose and fructose transport across the human red cell membrane by phlorizine, phloretine...

  19. Combined kinetic and transport modeling of radiofrequency current drive

    Energy Technology Data Exchange (ETDEWEB)

    Dumont, R.; Giruzzi, G. [Association Euratom-CEA, CEA/Cadarache, Dept. de Recherches sur la Fusion Controlee (DRFC), 13 - Saint-Paul-lez-Durance (France); Barbato, E. [Associazione EURATOM-ENEA sulla Fusione, Frascati (Italy)

    2000-07-01

    A numerical model for predictive simulations of radiofrequency current drive in magnetically confined plasmas is developed. It includes the minimum requirements for a self consistent description of such regimes, i.e., a 3-D ,kinetic equation for the electron distribution function, 1-D heat and current transport equations, and resonant coupling between velocity space and configuration space dynamics, through suitable wave propagation equations. The model finds its full application in predictive studies of complex current profile control scenarios in tokamaks, aiming at the establishment of internal transport barriers by the simultaneous use of various radiofrequency current drive methods. The basic properties of this non-linear numerical system are investigated and illustrated by simulations applied to reversed magnetic shear regimes obtained by Lower Hybrid and Electron Cyclotron current drive for parameters typical of the Tore Supra tokamak. (authors)

  20. Kinetic theory of free electron lasers

    Energy Technology Data Exchange (ETDEWEB)

    Hafizi, B. [Naval Research Lab., Washington, DC (United States); Roberson, C.W. [Office of Naval Research, Arlington, VA (United States)

    1995-12-31

    We have developed a relativistic kinetic theory of free electron lasers (FELs). The growth rate, efficiency, filling factor and radius of curvature of the radiation wave fronts are determined. We have used the theory to examine the effects of beam compression on growth rate. The theory has been extended to include self field effects on FEL operation. These effects are particularly important in compact, low voltage FELs. The surprising result is that the self field contribution to the beam quality is opposite to the emittance contribution. Hence self fields can improve beam quality, particularly in compact, low voltage FELs.

  1. Gas transport in tight porous media Gas kinetic approach

    DEFF Research Database (Denmark)

    Shapiro, Alexander; Wesselingh, Johannes

    2008-01-01

    We describe the flow of gas in a porous medium in the kinetic regime, where the viscous flow structure is not formed in separate pores. Special attention is paid to the dense kinetic regime, where the interactions within the gas are as important as the interaction with the porous medium....... The transport law for this regime is derived by means of the gas kinetic theory, in the framework of the model of "heavy gas in light one". The computations of the gas kinetic theory are confirmed by the dimension analysis and a simplified derivation revealing the considerations behind the kinetic derivation...

  2. The Hill analysis and co-ion-driven transporter kinetics

    NARCIS (Netherlands)

    Lolkema, Juke S; Slotboom, Dirk-Jan

    Interaction of multiple ligands with a protein or protein complex is a widespread phenomenon that allows for cooperativity. Here, we review the use of the Hill equation, which is commonly used to analyze binding or kinetic data, to analyze the kinetics of ion-coupled transporters and show how the

  3. Electron transport in quantum dots

    CERN Document Server

    2003-01-01

    When I was contacted by Kluwer Academic Publishers in the Fall of 200 I, inviting me to edit a volume of papers on the issue of electron transport in quantum dots, I was excited by what I saw as an ideal opportunity to provide an overview of a field of research that has made significant contributions in recent years, both to our understanding of fundamental physics, and to the development of novel nanoelectronic technologies. The need for such a volume seemed to be made more pressing by the fact that few comprehensive reviews of this topic have appeared in the literature, in spite of the vast activity in this area over the course of the last decade or so. With this motivation, I set out to try to compile a volume that would fairly reflect the wide range of opinions that has emerged in the study of electron transport in quantum dots. Indeed, there has been no effort on my part to ensure any consistency between the different chapters, since I would prefer that this volume instead serve as a useful forum for the...

  4. Electron and Phonon Transport in Molecular Junctions

    DEFF Research Database (Denmark)

    Li, Qian

    Molecular electronics provide the possibility to investigate electron and phonon transport at the smallest imaginable scale, where quantum effects can be investigated and exploited directly in the design. In this thesis, we study both electron transport and phonon transport in molecular junctions....... The system we are interested in here are π-stacked molecules connected with two semi-infinite leads. π-stacked aromatic rings, connected via π-π electronic coupling, provides a rather soft mechanical bridge while maintaining high electronic conductivity. We investigate electron transport...

  5. A Unified Gas Kinetic Scheme for Multi-scale Plasma Transport

    CERN Document Server

    Liu, Chang

    2016-01-01

    A unified gas kinetic scheme (UGKS) for multi-scale and multi-component plasma transport is constructed. The current scheme is a direct modeling method, where the time evolution solutions from the Vlasov-BGK equations for both electron and ion, and the Maxwell equations are used to construct the scale-dependent plasma simulation. As a result, based on the modeling scales of mesh size and time step, the discretized governing equations for the whole plasma regimes are obtained. The UGKS takes into account the electron inertia, full electromagnetic field equations, and separate electron and ion evolution. The physics recovered in UGKS ranges from the kinetic Vlasov equation to the hydrodynamic magnetohydrodynamic (MHD) equations, with a unified treatment in all scales from the collisionless particle transport to the hydrodynamic wave interactions. The UGKS presents a plasma description which is more general than the Vlasov equation in the kinetic scale and all kinds of MHD equations in the hydrodynamic scale, su...

  6. Unstirred Water Layers and the Kinetics of Organic Cation Transport

    Science.gov (United States)

    Shibayama, Takahiro; Morales, Mark; Zhang, Xiaohong; Martinez, Lucy; Berteloot, Alfred; Secomb, Timothy W.; Wright, Stephen H.

    2015-01-01

    Purpose Unstirred water layers (UWLs) present an unavoidable complication in the measurement of transport kinetics in cultured cells and the high rates of transport achieved by overexpressing heterologous transporters exacerbate the UWL effect. This study examined the correlation between measured Jmax and Kt values and the effect of manipulating UWL thickness or transport Jmax on the accuracy of experimentally determined kinetics of the multidrug transporters, OCT2 and MATE1. Methods Transport of TEA and MPP was measured in CHO cells that stably expressed human OCT2 or MATE1. UWL thickness was manipulated by vigorous reciprocal shaking. Several methods were used to manipulate maximal transport rates. Results Vigorous stirring stimulated uptake of OCT2-mediated transport by decreasing apparent Kt (Ktapp) values. Systematic reduction in transport rates was correlated with reduction in Ktapp values. The slope of these relationships indicated a 1500 µm UWL in multiwell plates. Reducing the influence of UWLs (by decreasing either their thickness or the Jmax of substrate transport) reduced Ktapp by 2-fold to >10-fold. Conclusions Failure to take into account the presence of UWLs in experiments using cultured cells to measure transport kinetics can result in significant underestimates of the affinity of multidrug transporters for substrates. PMID:25791216

  7. Electronic transport in molecular junctions

    Science.gov (United States)

    Liu, Rui

    2006-01-01

    A combined density functional theory and Green function method is used to study some basics and applications in the field of molecular electronics. We have investigated the effects of lateral interactions on the conductance of two molecules connected in parallel to semi-infinite leads. The system, modeled after a self-assembled monolayer, consists of benzylmercaptane molecules sandwiched between gold electrodes. We find that the conductance increases when intermolecular interaction comes into play. The source of this increase is the indirect interaction through the gold substrate rather than direct molecule-molecule interaction. As for applications, single-molecule spintronic switch and spin valve, rectifier and negative differential resistive (NDR) diode are proposed. Spintronic switch is constructed by a di-cobaltocene containing molecule. The anti-parallel (singlet) configuration blocks electron transport near the Fermi energy, while the spin parallel (triplet) configuration enables a much higher current. The energy difference between the anti-parallel and parallel states depends on the insulating spacer separating the two cobaltocenes, allowing switching through the application of a moderate magnetic field. In addition, single cobaltocene containing molecule can be used as a spin valve. Rectification of current through a single molecule with an intrinsic spatial asymmetry is studied. The molecule contains a cobaltocene moiety in order to take advantage of its relatively localized and high energy d states. A rectifier with large voltage range, high current density, and low threshold voltage can be realized. The evolution of molecular orbitals under both forward and reverse bias reveals the source of rectification being asymmetric potential drop. Our calculations demonstrate the plausibility of making excellent molecular diodes by using metallocenes, pointing to a fruitful class of molecules. Analogous to a quantum double dot system, we found that diblock

  8. Paleoclassical transport explains electron transport barriers in RTP and TEXTOR

    NARCIS (Netherlands)

    Hogeweij, G. M. D.; Callen, J.D.

    2008-01-01

    The recently developed paleoclassical transport model sets the minimum level of electron thermal transport in a tokamak. This transport level has proven to be in good agreement with experimental observations in many cases when fluctuation-induced anomalous transport is small, i.e. in (near-) ohmic

  9. Metamaterial characterization using Boltzmann's kinetic equation for electrons

    DEFF Research Database (Denmark)

    Novitsky, Andrey; Zhukovsky, Sergei; Novitsky, D.

    2013-01-01

    Statistical properties of electrons in metals are taken into consideration to describe the microscopic motion of electrons. Assuming degenerate electron gas in metal, we introduce the Boltzmann kinetic equation to supplement Maxwell's equations. The solution of these equations clearly shows the r...

  10. Computer modeling of electron and proton transport in chloroplasts.

    Science.gov (United States)

    Tikhonov, Alexander N; Vershubskii, Alexey V

    2014-07-01

    Photosynthesis is one of the most important biological processes in biosphere, which provides production of organic substances from atmospheric CO2 and water at expense of solar energy. In this review, we contemplate computer models of oxygenic photosynthesis in the context of feedback regulation of photosynthetic electron transport in chloroplasts, the energy-transducing organelles of the plant cell. We start with a brief overview of electron and proton transport processes in chloroplasts coupled to ATP synthesis and consider basic regulatory mechanisms of oxygenic photosynthesis. General approaches to computer simulation of photosynthetic processes are considered, including the random walk models of plastoquinone diffusion in thylakoid membranes and deterministic approach to modeling electron transport in chloroplasts based on the mass action law. Then we focus on a kinetic model of oxygenic photosynthesis that includes key stages of the linear electron transport, alternative pathways of electron transfer around photosystem I (PSI), transmembrane proton transport and ATP synthesis in chloroplasts. This model includes different regulatory processes: pH-dependent control of the intersystem electron transport, down-regulation of photosystem II (PSII) activity (non-photochemical quenching), the light-induced activation of the Bassham-Benson-Calvin (BBC) cycle. The model correctly describes pH-dependent feedback control of electron transport in chloroplasts and adequately reproduces a variety of experimental data on induction events observed under different experimental conditions in intact chloroplasts (variations of CO2 and O2 concentrations in atmosphere), including a complex kinetics of P700 (primary electron donor in PSI) photooxidation, CO2 consumption in the BBC cycle, and photorespiration. Finally, we describe diffusion-controlled photosynthetic processes in chloroplasts within the framework of the model that takes into account complex architecture of

  11. Fast electron generation and transport in a turbulent, magnetized plasma

    Energy Technology Data Exchange (ETDEWEB)

    Stoneking, Matthew Randall [Univ. of Wisconsin, Madison, WI (United States)

    1994-05-01

    The nature of fast electron generation and transport in the Madison Symmetric Torus (MST) reversed field pinch (RFP) is investigated using two electron energy analyzer (EEA) probes and a thermocouple calorimeter. The parallel velocity distribution of the fast electron population is well fit by a drifted Maxwellian distribution with temperature of about 100 eV and drift velocity of about 2 x 106 m/s. Cross-calibration of the EEA with the calorimeter provides a measurement of the fast electron perpendicular temperature of 30 eV, much lower than the parallel temperature, and is evidence that the kinetic dynamo mechanism (KDT) is not operative in MST. The fast electron current is found to match to the parallel current at the edge, and the fast electron density is about 4 x 1011 cm-3 independent of the ratio of the applied toroidal electric field to the critical electric field for runaways. First time measurements of magnetic fluctuation induced particle transport are reported. By correlating electron current fluctuations with radial magnetic fluctuations the transported flux of electrons is found to be negligible outside r/a~0.9, but rises the level of the expected total particle losses inside r/a~0.85. A comparison of the measured diffusion coefficient is made with the ausilinear stochastic diffusion coefficient. Evidence exists that the reduction of the transport is due to the presence of a radial ambipolar electric field of magnitude 500 V/m, that acts to equilibrate the ion and electron transport rates. The convective energy transport associated with the measured particle transport is large enough to account for the observed magnetic fluctuation induced energy transport in MST.

  12. Vibrational kinetics of electronically excited states in H2 discharges

    Science.gov (United States)

    Colonna, Gianpiero; Pietanza, Lucia D.; D'Ammando, Giuliano; Celiberto, Roberto; Capitelli, Mario; Laricchiuta, Annarita

    2017-11-01

    The evolution of atmospheric pressure hydrogen plasma under the action of repetitively ns electrical pulse has been investigated using a 0D state-to-state kinetic model that self-consistently couples the master equation of heavy particles and the Boltzmann equation for free electrons. The kinetic model includes, together with atomic hydrogen states and the vibrational kinetics of H2 ground state, vibrational levels of singlet states, accounting for the collisional quenching, having a relevant role because of the high pressure. The mechanisms of excitations, radiative decay and collisional quenching involving the excited H2 states and the corresponding cross sections, integrated over the non-equilibrium electron energy distribution function (EEDF) to obtain kinetic rates, are discussed in the light of the kinetic simulation results, i.e. the time evolution during the pulse of the plasma composition, of the EEDF and of the vibrational distributions of ground and singlet excited states.

  13. Kinetics of glucose transport in rat muscle

    DEFF Research Database (Denmark)

    Ploug, Thorkil; Galbo, Henrik; Vinten, Jørgen

    1987-01-01

    muscles. The effects of both contractions and insulin were greater in red than in white muscles. In red but not in white muscles, maximum increases in Vmax elicited by contractions and by insulin were additive. Both insulin and contractions decreased the half-saturating substrate concentration for glucose...... transport (apparent Km) in all three muscles, in fast-twitch fibers from 70 to approximately 7 mM and in slow-twitch fibers from 12 to 7 mM. After contractions, reversal of contraction-induced glucose transport was monoexponential in red fibers, with a half-time of 7 and 15 min in slow- and fast......-twitch fibers, respectively. In white muscle, Vmax continued to increase after contractions, reached a plateau after 10 min, and had only decreased 45% after 70 min. In contrast to the prevailing opinion, in all fiber types, reversal of contraction-induced glucose transport took place in the absence of muscle...

  14. Nonequilibrium electron energy-loss kinetics in metal clusters

    CERN Document Server

    Guillon, C; Fatti, N D; Vallee, F

    2003-01-01

    Ultrafast energy exchanges of a non-Fermi electron gas with the lattice are investigated in silver clusters with sizes ranging from 4 to 26 nm using a femtosecond pump-probe technique. The results yield evidence for a cluster-size-dependent slowing down of the short-time energy losses of the electron gas when it is strongly athermal. A constant rate is eventually reached after a few hundred femtoseconds, consistent with the electron gas internal thermalization kinetics, this behaviour reflecting evolution from an individual to a collective electron-lattice type of coupling. The timescale of this transient regime is reduced in small nanoparticles, in agreement with speeding up of the electron-electron interactions with size reduction. The experimental results are in quantitative agreement with numerical simulations of the electron kinetics.

  15. Kinetic theory of plasma sheaths surrounding electron-emitting surfaces.

    Science.gov (United States)

    Sheehan, J P; Hershkowitz, N; Kaganovich, I D; Wang, H; Raitses, Y; Barnat, E V; Weatherford, B R; Sydorenko, D

    2013-08-16

    A one-dimensional kinetic theory of sheaths surrounding planar, electron-emitting surfaces is presented which accounts for plasma electrons lost to the surface and the temperature of the emitted electrons. It is shown that ratio of plasma electron temperature to emitted electron temperature significantly affects the sheath potential when the plasma electron temperature is within an order of magnitude of the emitted electron temperature. The sheath potential goes to zero as the plasma electron temperature equals the emitted electron temperature, which can occur in the afterglow of an rf plasma and some low-temperature plasma sources. These results were validated by particle in cell simulations. The theory was tested by making measurements of the sheath surrounding a thermionically emitting cathode in the afterglow of an rf plasma. The measured sheath potential shrunk to zero as the plasma electron temperature cooled to the emitted electron temperature, as predicted by the theory.

  16. Electron Heating at Kinetic Scales in Magnetosheath Turbulence

    Science.gov (United States)

    Chasapis, Alexandros; Matthaeus, W. H.; Parashar, T. N.; Lecontel, O.; Retino, A.; Breuillard, H.; Khotyaintsev, Y.; Vaivads, A.; Lavraud, B.; Eriksson, E.; hide

    2017-01-01

    We present a statistical study of coherent structures at kinetic scales, using data from the Magnetospheric Multiscale mission in the Earths magnetosheath. We implemented the multi-spacecraft partial variance of increments (PVI) technique to detect these structures, which are associated with intermittency at kinetic scales. We examine the properties of the electron heating occurring within such structures. We find that, statistically, structures with a high PVI index are regions of significant electron heating. We also focus on one such structure, a current sheet, which shows some signatures consistent with magnetic reconnection. Strong parallel electron heating coincides with whistler emissions at the edges of the current sheet.

  17. Temperature-dependent gas transport and its correlation with kinetic ...

    Indian Academy of Sciences (India)

    2017-05-20

    May 20, 2017 ... Temperature-dependent gas transport and its correlation with kinetic diameter in polymer nanocomposite membrane. N K ACHARYA. Applied Physics Department, Faculty of Technology and Engineering, The M S University of Baroda,. Vadodara 390 001, India sarnavee@gmail.com. MS received 18 May ...

  18. Linear kinetic theory and particle transport in stochastic mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Pomraning, G.C. [Univ. of California, Los Angeles, CA (United States)

    1995-12-31

    We consider the formulation of linear transport and kinetic theory describing energy and particle flow in a random mixture of two or more immiscible materials. Following an introduction, we summarize early and fundamental work in this area, and we conclude with a brief discussion of recent results.

  19. Electron kinetics in capacitively coupled plasmas modulated by electron injection

    Science.gov (United States)

    Zhang, Ya; Peng, Yanli; Innocenti, Maria Elena; Jiang, Wei; Wang, Hong-yu; Lapenta, Giovanni

    2017-09-01

    The controlling effect of an electron injection on the electron energy distribution function (EEDF) and on the energetic electron flux, in a capacitive radio-frequency argon plasma, is studied using a one-dimensional particle-in-cell/Monte Carlo collisions model. The input power of the electron beam is as small as several tens of Watts with laboratory achievable emission currents and energies. With the electron injection, the electron temperature decreases but with a significant high energy tail. The electron density, electron temperature in the sheath, and electron heating rate increase with the increasing emission energy. This is attributed to the extra heating of the energetic electrons in the EEDF tail. The non-equilibrium EEDF is obtained for strong non-local distributions of the electric field, electron heating rate, excitation, and ionization rate, indicating the discharge has transited from a volume heating (α-mode dominated) into a sheath heating (γ-mode dominated) type. In addition, the electron injection not only modifies the self-bias voltage, but also enhances the electron flux that can reach the electrodes. Moreover, the relative population of energetic electrons significantly increases with the electron injection compared to that without the electron injection, relevant for modifying the gas and surface chemistry reactions.

  20. Transperitoneal transport of creatinine. A comparison of kinetic models

    DEFF Research Database (Denmark)

    Fugleberg, S; Graff, J; Joffe, P

    1994-01-01

    and lymphatic convective solute transport. The validation procedure included an assessment of theoretical (a priori) and practical (a posteriori) identifiability, goodness of fit, residual error analysis and plausibility of parameter estimates. The results of the validation procedure demonstrate that the model......Six kinetic models of transperitoneal creatinine transport were formulated and validated on the basis of experimental results obtained from 23 non-diabetic patients undergoing peritoneal dialysis. The models were designed to elucidate the presence or absence of diffusive, non-lymphatic convective...... including all three forms of transport is superior to other models. We conclude that the best model of transperitoneal creatinine transport includes diffusion, non-lymphatic convective transport and lymphatic convective transport....

  1. Electron transport chains of lactic acid bacteria

    NARCIS (Netherlands)

    Brooijmans, R.J.W.

    2008-01-01

    Lactic acid bacteria are generally considered facultative anaerobic obligate fermentative bacteria. They are unable to synthesize heme. Some lactic acid bacteria are unable to form menaquinone as well. Both these components are cofactors of respiratory (electron transport) chains of prokaryotic

  2. Electron and proton transport by NADPH oxidases

    OpenAIRE

    Demaurex, Nicolas; Petheö, Gábor L

    2005-01-01

    The NADPH oxidase is the main weapon of phagocytic white blood cells that are the first line of defence of our body against invading pathogens, and patients lacking a functional oxidase suffer from severe and recurrent infections. The oxidase is a multisubunit enzyme complex that transports electrons from cytoplasmic NADPH to molecular oxygen in order to generate superoxide free radicals. Electron transport across the plasma membrane is electrogenic and is associated with the flux of protons ...

  3. Phonon limited electronic transport in Pb

    DEFF Research Database (Denmark)

    Rittweger, Florian; Hinsche, Nicki Frank; Mertig, Ingrid

    2017-01-01

    We present a fully ab initio based scheme to compute electronic transport properties, i.e. the electrical conductivity σ and thermopower S, in the presence of electron-phonon interaction. We explicitly investigate the k-dependent structure of the Éliashberg spectral function, the coupling strengt...

  4. The Electron Transport Chain: An Interactive Simulation

    Science.gov (United States)

    Romero, Chris; Choun, James

    2014-01-01

    This activity provides students an interactive demonstration of the electron transport chain and chemiosmosis during aerobic respiration. Students use simple, everyday objects as hydrogen ions and electrons and play the roles of the various proteins embedded in the inner mitochondrial membrane to show how this specific process in cellular…

  5. Electronic Ticketing in Public Transport

    NARCIS (Netherlands)

    Dekkers, J.E.C.; Rietveld, P.

    2007-01-01

    The NoordNed Mobile Ticketing service (in this article referred to as M-Ticketing) is an early example of electronic ticketing in the Netherlands. Using this service, customers no longer need to buy a ticket at a ticket office or ticket machine. Instead, people can order M-Tickets through the

  6. Kinetics of MDR transport in tumor-initiating cells.

    Science.gov (United States)

    Koshkin, Vasilij; Yang, Burton B; Krylov, Sergey N

    2013-01-01

    Multidrug resistance (MDR) driven by ABC (ATP binding cassette) membrane transporters is one of the major causes of treatment failure in human malignancy. MDR capacity is thought to be unevenly distributed among tumor cells, with higher capacity residing in tumor-initiating cells (TIC) (though opposite finding are occasionally reported). Functional evidence for enhanced MDR of TICs was previously provided using a "side population" assay. This assay estimates MDR capacity by a single parameter - cell's ability to retain fluorescent MDR substrate, so that cells with high MDR capacity ("side population") demonstrate low substrate retention. In the present work MDR in TICs was investigated in greater detail using a kinetic approach, which monitors MDR efflux from single cells. Analysis of kinetic traces obtained allowed for the estimation of both the velocity (V max) and affinity (K M) of MDR transport in single cells. In this way it was shown that activation of MDR in TICs occurs in two ways: through the increase of V max in one fraction of cells, and through decrease of K M in another fraction. In addition, kinetic data showed that heterogeneity of MDR parameters in TICs significantly exceeds that of bulk cells. Potential consequences of these findings for chemotherapy are discussed.

  7. A kinetic model for runaway electrons in the ionosphere

    Directory of Open Access Journals (Sweden)

    G. Garcia

    2006-09-01

    Full Text Available Electrodynamic models and measurements with satellites and incoherent scatter radars predict large field aligned current densities on one side of the auroral arcs. Different authors and different kinds of studies (experimental or modeling agree that the current density can reach up to hundreds of µA/m2. This large current density could be the cause of many phenomena such as tall red rays or triggering of unstable ion acoustic waves. In the present paper, we consider the issue of electrons moving through an ionospheric gas of positive ions and neutrals under the influence of a static electric field. We develop a kinetic model of collisions including electrons/electrons, electrons/ions and electrons/neutrals collisions. We use a Fokker-Planck approach to describe binary collisions between charged particles with a long-range interaction. We present the essential elements of this collision operator: the Langevin equation for electrons/ions and electrons/electrons collisions and the Monte-Carlo and null collision methods for electrons/neutrals collisions. A computational example is given illustrating the approach to equilibrium and the impact of the different terms (electrons/electrons and electrons/ions collisions on the one hand and electrons/neutrals collisions on the other hand. Then, a parallel electric field is applied in a new sample run. In this run, the electrons move in the z direction parallel to the electric field. The first results show that all the electron distribution functions are non-Maxwellian. Furthermore, runaway electrons can carry a significant part of the total current density, up to 20% of the total current density.

  8. Filamentous bacteria transport electrons over centimetre distances

    DEFF Research Database (Denmark)

    Pfeffer, Christian; Larsen, Steffen; Song, Jie

    2012-01-01

    across centimetre-wide zones. Here we present evidence that the native conductors are long, filamentous bacteria. They abounded in sediment zones with electric currents and along their length they contained strings with distinct properties in accordance with a function as electron transporters. Living......Oxygen consumption in marine sediments is often coupled to the oxidation of sulphide generated by degradation of organic matter in deeper, oxygen-free layers. Geochemical observations have shown that this coupling can be mediated by electric currents carried by unidentified electron transporters...

  9. Electron transport through monovalent atomic wires

    DEFF Research Database (Denmark)

    Lee, Y. J.; Brandbyge, Mads; Puska, M. J.

    2004-01-01

    Using a first-principles density-functional method we model electron transport through linear chains of monovalent atoms between two bulk electrodes. For noble-metal chains the transport resembles that for free electrons over a potential barrier whereas for alkali-metal chains resonance states...... at the chain determine the conductance. As a result, the conductance for noble-metal chains is close to one quantum of conductance, and it oscillates moderately so that an even number of chain atoms yields a higher value than an odd number. The conductance oscillations are large for alkali-metal chains...

  10. Math modeling of electronic processes and deep level ionization kinetic

    Directory of Open Access Journals (Sweden)

    A. V. Budanov

    2016-01-01

    Full Text Available Mathematical model of kinetics of charge deep levels in the forbidden band of the semiconductor, which takes into account the processes of carriers charge exchange between deep levels and both allowed bands, which adequately describes the nature of the non-exponential relaxation capacity, is proposed. A method for determining the spectrum of deep level transient spectroscopy having greater accuracy and resolution in comparison with traditional methods using a relaxation time approximation. The results of numerical experiments using the kinetics charge deep levels model in the frameworks of proposed approximations are presented. Account of generational and recombination components of charge exchange processes of all deep levels in the forbidden band of the semiconductor leads to the conclusion that the kinetics of ionization of these centers, in general, does not obey the Boltzmann statistics. Account of charge exchange processes between the deep levels a significantly effects on their recharge kinetics. Numerical analysis results show that the processes of deep levels ionization are more complicated than the staged-type kinetics. It is shown that in most cases stagedtype kinetics at deep level transient spectroscopy leads to significant methodological error in the parameters determination. From the results of numerical analysis follows, that the density of surface electronic states has a significant impact on the overall recharged kinetics of deep levels. Donor deep levels recharge analysis revealed not only the features of the deep levels ionization in semiconductors, but also allowed to answer some questions that are typical to all deep-level transient spectroscopy in general.

  11. Semiconductor Nanostructures Quantum States and Electronic Transport

    CERN Document Server

    Ihn, Thomas

    2009-01-01

    This textbook describes the physics of semiconductor nanostructures with emphasis on their electronic transport properties. At its heart are five fundamental transport phenomena: quantized conductance, tunnelling transport, the Aharonov-Bohm effect, the quantum Hall effect, and the Coulomb blockade effect. The book starts out with the basics of solid state and semiconductor physics, such as crystal structure, band structure, and effective mass approximation, including spin-orbit interaction effects important for research in semiconductor spintronics. It contains material aspects such as band e

  12. Modeling transport kinetics in clinoptilolite-phosphate rock systems

    Science.gov (United States)

    Allen, E. R.; Ming, D. W.; Hossner, L. R.; Henninger, D. L.

    1995-01-01

    Nutrient release in clinoptilolite-phosphate rock (Cp-PR) systems occurs through dissolution and cation-exchange reactions. Investigating the kinetics of these reactions expands our understanding of nutrient release processes. Research was conducted to model transport kinetics of nutrient release in Cp-PR systems. The objectives were to identify empirical models that best describe NH4, K, and P release and define diffusion-controlling processes. Materials included a Texas clinoptilolite (Cp) and North Carolina phosphate rock (PR). A continuous-flow thin-disk technique was used. Models evaluated included zero order, first order, second order, parabolic diffusion, simplified Elovich, Elovich, and power function. The power-function, Elovich, and parabolic-diffusion models adequately described NH4, K, and P release. The power-function model was preferred because of its simplicity. Models indicated nutrient release was diffusion controlled. Primary transport processes controlling nutrient release for the time span observed were probably the result of a combination of several interacting transport mechanisms.

  13. Tycho 2: A Proxy Application for Kinetic Transport Sweeps

    Energy Technology Data Exchange (ETDEWEB)

    Garrett, Charles Kristopher [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Computer, Computational, and Statistical Sciences Division; Warsa, James S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Computer, Computational, and Statistical Sciences Division

    2016-09-14

    Tycho 2 is a proxy application that implements discrete ordinates (SN) kinetic transport sweeps on unstructured, 3D, tetrahedral meshes. It has been designed to be small and require minimal dependencies to make collaboration and experimentation as easy as possible. Tycho 2 has been released as open source software. The software is currently in a beta release with plans for a stable release (version 1.0) before the end of the year. The code is parallelized via MPI across spatial cells and OpenMP across angles. Currently, several parallelization algorithms are implemented.

  14. Electron transport in wurtzite InN

    Indian Academy of Sciences (India)

    Abstract. Using ensemble Monte Carlo simulation technique, we have calculated the transport properties of InN such as the drift velocity, the drift mobility, the average electron, energy relaxation times and momentum relaxation times at high electric field. The scattering mechanisms included are polar optical phonon, ionized ...

  15. Kinetic modelling of runaway electrons in dynamic scenarios

    CERN Document Server

    Stahl, A; Papp, G; Landreman, M; Fülöp, T

    2016-01-01

    Improved understanding of runaway-electron formation and decay processes are of prime interest for the safe operation of large tokamaks, and the dynamics of the runaway electrons during dynamical scenarios such as disruptions are of particular concern. In this paper, we present kinetic modelling of scenarios with time-dependent plasma parameters; in particular, we investigate hot-tail runaway generation during a rapid drop in plasma temperature. With the goal of studying runaway-electron generation with a self-consistent electric-field evolution, we also discuss the implementation of a conservative collision operator and demonstrate its properties. An operator for avalanche runaway-electron generation, which takes the energy dependence of the scattering cross section and the runaway distribution into account, is investigated. We show that the simpler avalanche model of Rosenbluth & Putvinskii [Nucl. Fusion 37, 1355 (1997)] can give very inaccurate results for the avalanche growth rate (either lower or hig...

  16. BITLLES: Electron Transport Simulation with Quantum Trajectories

    CERN Document Server

    Albareda, Guillermo; Benali, Abdelilah; Alarcón, Alfonso; Moises, Simeon; Oriols, Xavier

    2016-01-01

    After the seminal work of R. Landauer in 1957 relating the electrical resistance of a conductor to its scattering properties, much progress has been made in our ability to predict the performance of electron devices in the DC (stationary) regime. Computational tools to describe their dynamical behavior (including the AC, transient and noise performance), however, are far from being as trustworthy as would be desired by the electronic industry. While there is no fundamental limitation to correctly modeling the high-frequency quantum transport and its fluctuations, certainly more careful attention must be paid to delicate issues such as overall charge neutrality, total current conservation, or the back action of the measuring apparatus. In this review, we will show how the core ideas behind the Bohmian formulation of quantum mechanics can be exploited to design an efficient Monte Carlo algorithm that provides a quantitative description of electron transport in open quantum systems. By making the most of traject...

  17. A kinetic study of mercury(II transport through a membrane assisted by new transport reagent

    Directory of Open Access Journals (Sweden)

    Görgülü Ahmet

    2011-07-01

    Full Text Available Abstract Background A new organodithiophosphorus derivative, namely O-(1,3-Bispiperidino-2-propyl-4-methoxy phenyldithiophosphonate, was synthesized and then the kinetic behavior of the transport process as a function of concentration, temperature, stirring rate and solvents was investigated. Results The compound 1 was characterized by elemental analysis, IR, 1H and 31P NMR spectroscopies. The transport of mercury(II ion by a zwitterionic dithiophosphonate 1 in the liquid membrane was studied and the kinetic behavior of the transport process as a function of concentration, temperature, stirring rate and solvents was investigated. The compound 1 is expected to serve as a model liquid membrane transport with mercury(II ions. Conclusion A kinetic study of mercury(II transport through a membrane assisted by O-(1,3-Bispiperidino-2-propyl-4-methoxy phenyldithiophosphonate was performed. It can be concluded that the compound 1 can be provided a general and straightforward route to remove toxic metals ions such as mercury(II ion from water or other solution.

  18. Intensity dependence of electron gas kinetics in a laser corona

    Directory of Open Access Journals (Sweden)

    Mašek Martin

    2013-11-01

    Full Text Available In various experimental situations relevant to the laser fusion, such as plasma near the light entrance holes of hohlraum in the indirect drive experiments or more recently in the shock ignition direct drive a relatively long underdense plasma of corona type is encountered, which is subject to an intense nanosecond laser beam. The plasma is only weakly collisional and thus in the electron phase space a complicated kinetic evolution is going on, which is taking the electron gas fairly far from the thermal equilibrium and contributes to its unstable behaviour. These phenomena impede the absorption and thermalization of the incoming laser energy, create groups of fast electrons and also may lead to a non-linear reflection of the heating laser beam. One of the key processes leading to the electron acceleration is the stimulated Raman scattering (SRS in its non-linear phase. The SRS in the presence of electron-ion collisions requires a certain threshold intensity above which the mentioned non-dissipative phenomena can occur and develop to the stage, where they may become unpleasant for the fusion experiments. To assess this intensity limit a computational model has been developed based on the Vlasov-Maxwell kinetics describing such a plasma in 1D geometry. At a relatively high intensity of 1016 W/cm2 a number of non-linear phenomena are predicted by the code such as a saturation of Landau damping, which is then translated in an unfavourable time dependence of the reflected light intensity and formation of accelerated electron groups due to the electron trapping. The purpose of the present contribution is to map the intensity dependence of this non-linear development with the aim of assessing its weight in fusion relevant situations.

  19. Fully-kinetic Ion Simulation of Global Electrostatic Turbulent Transport in C-2U

    Science.gov (United States)

    Fulton, Daniel; Lau, Calvin; Bao, Jian; Lin, Zhihong; Tajima, Toshiki; TAE Team

    2017-10-01

    Understanding the nature of particle and energy transport in field-reversed configuration (FRC) plasmas is a crucial step towards an FRC-based fusion reactor. The C-2U device at Tri Alpha Energy (TAE) achieved macroscopically stable plasmas and electron energy confinement time which scaled favorably with electron temperature. This success led to experimental and theoretical investigation of turbulence in C-2U, including gyrokinetic ion simulations with the Gyrokinetic Toroidal Code (GTC). A primary objective of TAE's new C-2W device is to explore transport scaling in an extended parameter regime. In concert with the C-2W experimental campaign, numerical efforts have also been extended in A New Code (ANC) to use fully-kinetic (FK) ions and a Vlasov-Poisson field solver. Global FK ion simulations are presented. Future code development is also discussed.

  20. Electron transport in Tore Supra with fast wave electron heating

    Energy Technology Data Exchange (ETDEWEB)

    Hoang, G.T.; Aniel, T.; Ottaviani, M.; Garbet, X. [CEA/Cadarache, Dept. de Recherches sur la Fusion Controlee (DRFC), 13 - Saint-Paul-lez-Durance (France); Horton, W.; Zhu, P. [University of Texas at Austin (United States). Inst. for Fusion Studies

    1999-09-15

    The hot electron plasmas (T{sub e} > 2T{sub i}) in Tore Supra driven by Fast Wave Electron Heating (FWEH) are analyzed for thermal transport. Both neoclassical and anomalous transport processes are taken into account. The dominant power flow is through the electron channel of anomalous thermal diffusivity. The electron and ion temperature gradient driven instabilities are analyzed for a well documented discharge and shown to explain the diffusivities inferred from the steady power balance analysis. The discharges are maintained in a quasi-steady state for periods up to one hundred global energy replacement times. A large Tore S database is tested against two models for the turbulent electron thermal conductivity Good correlation is obtained with an updated version of the collisionless skin depth formula. The electrostatic turbulence-based formula performs poorly in the core but well in the outer plasma. The electromagnetic turbulence theory based formula is benchmarked with the empirical Taroni-Bohm formula derived from JET data. (author)

  1. A stochastic study of electron transfer kinetics in nano-particulate photocatalysis: a comparison of the quasi-equilibrium approximation with a random walking model.

    Science.gov (United States)

    Liu, Baoshun; Zhao, Xiujian; Yu, Jiaguo; Fujishima, Akira; Nakata, Kazuya

    2016-11-23

    In the photocatalysis of porous nano-crystalline materials, the transfer of electrons to O 2 plays an important role, which includes the electron transport to photocatalytic active centers and successive interfacial transfer to O 2 . The slowest of them will determine the overall speed of electron transfer in the photocatalysis reaction. Considering the photocatalysis of porous nano-crystalline TiO 2 as an example, although some experimental results have shown that the electron kinetics are limited by the interfacial transfer, we still lack the depth of understanding the microscopic mechanism from a theoretical viewpoint. In the present research, a stochastic quasi-equilibrium (QE) theoretical model and a stochastic random walking (RW) model were established to discuss the electron transport and electron interfacial transfer by taking the electron multi-trapping transport and electron interfacial transfer from the photocatalytic active centers to O 2 into consideration. By carefully investigating the effect of the electron Fermi level (E F ) and the photocatalytic center number on electron transport, we showed that the time taken for an electron to transport to a photocatalytic center predicated by the stochastic RW model was much lower than that predicted by the stochastic QE model, indicating that the electrons cannot reach a QE state during their transport to photocatalytic centers. The stochastic QE model predicted that the electron kinetics of a real photocatalysis for porous nano-crystalline TiO 2 should be limited by electron transport, whereas the stochastic RW model showed that the electron kinetics of a real photocatalysis can be limited by the interfacial transfer. Our simulation results show that the stochastic RW model was more in line with the real electron kinetics that have been observed in experiments, therefore it is concluded that the photoinduced electrons cannot reach a QE state before transferring to O 2 .

  2. Electron and proton transport by NADPH oxidases

    Science.gov (United States)

    Demaurex, Nicolas; Petheö, Gábor L

    2005-01-01

    The NADPH oxidase is the main weapon of phagocytic white blood cells that are the first line of defence of our body against invading pathogens, and patients lacking a functional oxidase suffer from severe and recurrent infections. The oxidase is a multisubunit enzyme complex that transports electrons from cytoplasmic NADPH to molecular oxygen in order to generate superoxide free radicals. Electron transport across the plasma membrane is electrogenic and is associated with the flux of protons through voltage-activated proton channels. Both proton and electron currents can be recorded with the patch-clamp technique, but whether the oxidase is a proton channel or a proton channel modulator remains controversial. Recently, we have used the inside–out configuration of the patch-clamp technique to record proton and electron currents in excised patches. This approach allows us to measure the oxidase activity under very controlled conditions, and has provided new information about the enzymatic activity of the oxidase and its coupling to proton channels. In this chapter I will discuss how the unique characteristics of the electron and proton currents associated with the redox activity of the NADPH oxidase have extended our knowledge about the thermodynamics and the physiological regulation of this remarkable enzyme. PMID:16321802

  3. Low energy electron transport in furfural

    Science.gov (United States)

    Lozano, Ana I.; Krupa, Kateryna; Ferreira da Silva, Filipe; Limão-Vieira, Paulo; Blanco, Francisco; Muñoz, Antonio; Jones, Darryl B.; Brunger, Michael J.; García, Gustavo

    2017-09-01

    We report on an initial investigation into the transport of electrons through a gas cell containing 1 mTorr of gaseous furfural. Results from our Monte Carlo simulation are implicitly checked against those from a corresponding electron transmission measurement. To enable this simulation a self-consistent cross section data base was constructed. This data base is benchmarked through new total cross section measurements which are also described here. In addition, again to facilitate the simulation, our preferred energy loss distribution function is presented and discussed.

  4. Spin dependent electron transport in nanostructures

    Science.gov (United States)

    Yanik, Ahmet Ali

    2007-12-01

    Spin-electronic devices, exploiting the spin degree of freedom of the current carrying particles, are currently a topic of great interest. In parallel with experimental developments, theoretical studies in this field have been mainly focused on the coherent transport regime characteristics of these devices. However, spin dephasing processes are still a fundamental concern [1-6]. The Landauer transmission formalism has been the widely used method in the coherent transport regime [7]. Recently this formalism has been adapted to incorporate spin scattering processes by introducing random disorder directly into the conducting medium and subsequently solving the disordered transport problem over a large ensemble of disorder distributions [8-10]. Although proposed to be a way of incorporating spin scattering processes, what this approach basically offers is an averaged way of adding random coherent scatterings (similar to the scatterings from boundaries) into the transport problem. Certainly such a treatment of spin-dephasing processes misses the incoherent and inelastic nature of the scattering processes. As a result, a rigorous way of treating the spin scattering processes is still needed [10-12]. The objective of this thesis is to present a quantum transport model based on non-equilibrium Green's function (NEGF) formalism providing a unified approach to incorporate spin scattering processes using generalized interaction Hamiltonians. Here, the NEGF formalism is presented for both coherent and incoherent transport regimes without going into derivational details. Subsequently, spin scattering operators are derived for the specific case of electron-impurity exchange interactions and the model is applied to clarify the experimental measurements [5]. Device characteristics of magnetic tunnel junctions (MTJs) with embedded magnetic impurity layers are studied as a function of tunnel junction thicknesses and barrier heights for varying impurity concentrations in comparison

  5. High-Fidelity Kinetics and Radiation Transport for NLTE Hypersonic Flows Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The modeling of NLTE hypersonic flows combines several disciplines: chemistry, kinetics, radiation transport, fluid mechanics, and surface science. No single code or...

  6. Electronic transport in methylated fragments of DNA

    Science.gov (United States)

    de Almeida, M. L.; Oliveira, J. I. N.; Lima Neto, J. X.; Gomes, C. E. M.; Fulco, U. L.; Albuquerque, E. L.; Freire, V. N.; Caetano, E. W. S.; de Moura, F. A. B. F.; Lyra, M. L.

    2015-11-01

    We investigate the electronic transport properties of methylated deoxyribonucleic-acid (DNA) strands, a biological system in which methyl groups are added to DNA (a major epigenetic modification in gene expression), sandwiched between two metallic platinum electrodes. Our theoretical simulations apply an effective Hamiltonian based on a tight-binding model to obtain current-voltage curves related to the non-methylated/methylated DNA strands. The results suggest potential applications in the development of novel biosensors for molecular diagnostics.

  7. Characterizing Destructive Quantum Interference in Electron Transport

    OpenAIRE

    Sam-ang, Panu; Reuter, Matthew G.

    2017-01-01

    Destructive quantum interference in electron transport through molecules provides an unconventional route for suppressing electric current. In this work we introduce "interference vectors" for each interference and use them to characterize the interference. An interference vector may be an orbital of the bare molecule, in which case the interference is very sensitive to perturbation. In contrast, an interference vector may be a combination of multiple molecular orbitals, leading to more robus...

  8. Electronic transport in methylated fragments of DNA

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, M. L. de; Oliveira, J. I. N.; Lima Neto, J. X.; Gomes, C. E. M.; Fulco, U. L., E-mail: umbertofulco@gmail.com; Albuquerque, E. L. [Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970 Natal-RN (Brazil); Freire, V. N. [Departamento de Física, Universidade Federal do Ceará, 60455-760 Fortaleza, CE (Brazil); Caetano, E. W. S. [Instituto Federal de Educação, Ciência e Tecnologia do Ceará, 60040-531 Fortaleza, CE (Brazil); Moura, F. A. B. F. de; Lyra, M. L. [Instituto de Física, Universidade Federal de Alagoas, 57072-900 Maceió-AL (Brazil)

    2015-11-16

    We investigate the electronic transport properties of methylated deoxyribonucleic-acid (DNA) strands, a biological system in which methyl groups are added to DNA (a major epigenetic modification in gene expression), sandwiched between two metallic platinum electrodes. Our theoretical simulations apply an effective Hamiltonian based on a tight-binding model to obtain current-voltage curves related to the non-methylated/methylated DNA strands. The results suggest potential applications in the development of novel biosensors for molecular diagnostics.

  9. Fused electron deficient semiconducting polymers for air stable electron transport

    KAUST Repository

    Onwubiko, Ada

    2018-01-23

    Conventional semiconducting polymer synthesis typically involves transition metal-mediated coupling reactions that link aromatic units with single bonds along the backbone. Rotation around these bonds contributes to conformational and energetic disorder and therefore potentially limits charge delocalisation, whereas the use of transition metals presents difficulties for sustainability and application in biological environments. Here we show that a simple aldol condensation reaction can prepare polymers where double bonds lock-in a rigid backbone conformation, thus eliminating free rotation along the conjugated backbone. This polymerisation route requires neither organometallic monomers nor transition metal catalysts and offers a reliable design strategy to facilitate delocalisation of frontier molecular orbitals, elimination of energetic disorder arising from rotational torsion and allowing closer interchain electronic coupling. These characteristics are desirable for high charge carrier mobilities. Our polymers with a high electron affinity display long wavelength NIR absorption with air stable electron transport in solution processed organic thin film transistors.

  10. Quantum electron transport in toroidal carbon nanotubes

    Science.gov (United States)

    Jack, Mark; Encinosa, Mario

    2008-03-01

    Electron transport under bias is treated in tight-binding approximation using a non-equilibrium Green's function approach. Density-of-states D(E), transmissivity T(E), and current ISD are calculated through a (3,3) armchair nanotorus with laterally attached metallic leads and a magnetic field penetrating the toroidal plane. Plateaus in T(E) through the torus are observed as a function of both the relative angle between leads and magnetic flux. Initial computational studies performed with 1800 atoms and attached leads show substantial computational slowdown when increasing the system size by a factor of two. Results are generated by inverting the device Hamiltonian with a standard recursion method extended to account for unit cell toroidal closure. Significant computational speed-up is expected for a parallelized code on a multiprocessor computer cluster. The dependence of electronic features on torus size and torus curvature is tested for three tori with 900, 1800 and 3600 carbon atoms, respectively. References: 1. M. Jack and M. Encinosa, Quantum electron transport in toroidal carbon nanotubes with metallic leads. ArXiv: quant-ph/0709.0760. 2. M. Encinosa and M. Jack, Dipole and solenoidal magnetic moments of electronic surface currents on toroidal nanostructures. J. Comp.-Aided Mat. Design (Springer), 14 (1) (2007) 65 -- 71.

  11. Electron and ion kinetics in a micro hollow cathode discharge

    Energy Technology Data Exchange (ETDEWEB)

    Kim, G J; Iza, F; Lee, J K [Electronics and Electrical Engineering Department, Pohang University of Science and Technology, Pohang, 790-784 (Korea, Republic of)

    2006-10-21

    Electron and ion kinetics in a micro hollow cathode discharge are investigated by means of two-dimensional axisymmetric particle-in-cell Monte Carlo collision simulations. Argon discharges at 10 and 300 Torr are studied for various driving currents. Electron and ion energy probability functions (IEPF) are shown at various times and locations to study the spatio-temporal behaviour of the discharge. The electron energy probability function (EEPF) evolves from the Druyvesteyn type in the early stages of the discharge into a two (or three) temperature distribution when steady state is reached. In steady state, secondary electrons accelerated across the cathode fall populate the high energy tail of the EEPF while the low energy region is populated by trapped electrons. The IEPF evolves from a Maxwellian in the negative glow (bulk) to a two temperature distribution on the cathode surface. The overpopulation of low energy ions near the cathode surface is attributed to a larger collision cross section for low energy ions and ionization within the cathode fall.

  12. Artemisinin inhibits chloroplast electron transport activity: mode of action.

    Directory of Open Access Journals (Sweden)

    Adyasha Bharati

    Full Text Available Artemisinin, a secondary metabolite produced in Artemisia plant species, besides having antimalarial properties is also phytotoxic. Although, the phytotoxic activity of the compound has been long recognized, no information is available on the mechanism of action of the compound on photosynthetic activity of the plant. In this report, we have evaluated the effect of artemisinin on photoelectron transport activity of chloroplast thylakoid membrane. The inhibitory effect of the compound, under in vitro condition, was pronounced in loosely and fully coupled thylakoids; being strong in the former. The extent of inhibition was drastically reduced in the presence of uncouplers like ammonium chloride or gramicidin; a characteristic feature described for energy transfer inhibitors. The compound, on the other hand, when applied to plants (in vivo, behaved as a potent inhibitor of photosynthetic electron transport. The major site of its action was identified to be the Q(B; the secondary quinone moiety of photosystemII complex. Analysis of photoreduction kinetics of para-benzoquinone and duroquinone suggest that the inhibition leads to formation of low pool of plastoquinol, which becomes limiting for electron flow through photosystemI. Further it was ascertained that the in vivo inhibitory effect appeared as a consequence of the formation of an unidentified artemisinin-metabolite rather than by the interaction of the compound per se. The putative metabolite of artemisinin is highly reactive in instituting the inhibition of photosynthetic electron flow eventually reducing the plant growth.

  13. Simulation of ITG instabilities with fully kinetic ions and drift-kinetic electrons in tokamaks

    Science.gov (United States)

    Hu, Youjun; Chen, Yang; Parker, Scott

    2017-10-01

    A turbulence simulation model with fully kinetic ions and drift-kinetic electrons is being developed in the toroidal electromagnetic turbulence code GEM. This is motivated by the observation that gyrokinetic ions are not well justified in simulating turbulence in tokamak edges with steep density profile, where ρi / L is not small enough to be used a small parameter needed by the gyrokinetic ordering (here ρi is the gyro-radius of ions and L is the scale length of density profile). In this case, the fully kinetic ion model may be useful. Our model uses an implicit scheme to suppress high-frequency compressional Alfven waves and waves associated with the gyro-motion of ions. The ion orbits are advanced by using the well-known Boris scheme, which reproduces correct drift-motion even with large time-step comparable to the ion gyro-period. The field equation in this model is Ampere's law with the magnetic field eliminated by using an implicit scheme of Faraday's law. The current contributed by ions are computed by using an implicit δf method. A flux tube approximation is adopted, which makes the field equation much easier to solve. Numerical results of electromagnetic ITG obtained from this model will be presented and compared with the gyrokinetic results. This work is supported by U.S. Department of Energy, Office of Fusion Energy Sciences under Award No. DE-SC0008801.

  14. Microbial respiration and dissolution precipitation reactions of minerals: thermo-kinetics and reactive transport modelling

    Science.gov (United States)

    Azaroual, M. M.; Parmentier, M.; Andre, L.; Croiset, N.; Pettenati, M.; Kremer, S.

    2010-12-01

    Microbial processes interact closely with abiotic geochemical reactions and mineralogical transformations in several hydrogeochemical systems. Reactive transport models are aimed to analyze these complex mechanisms integrating as well as the degradation of organic matter as the redox reactions involving successive terminal electron acceptors (TEAPs) mediated by microbes through the continuum of unsaturated zone (soil) - saturated zone (aquifer). The involvement of microbial processes in reactive transport in soil and subsurface geologic greatly complicates the mastery of the major mechanisms and the numerical modelling of these systems. The introduction of kinetic constraints of redox reactions in aqueous phase requires the decoupling of equilibrium reactions and the redefinition of mass balance of chemical elements including the concept of basis species and secondary species of thermodynamic databases used in geochemical modelling tools. An integrated methodology for modelling the reactive transport has been developed and implemented to simulate the transfer of arsenic, denitrification processes and the role of metastable aqueous sulfur species with pyrite and organic matter as electron donors entities. A mechanistic rate law of microbial respiration in various geochemical environments was used to simulate reactive transport of arsenic, nitrate and organic matter combined to the generalized rate law of mineral dissolution - precipitation reactions derived from the transition state theory was used for dissolution - precipitation of silica, aluminosilicate, carbonate, oxyhydroxide, and sulphide minerals. The kinetic parameters are compiled from the literature measurements based on laboratory constrained experiments and field observations. Numerical simulations, using the geochemical software PHREEQC, were performed aiming to identify the key reactions mediated by microbes in the framework of in the first hand the concept of the unsaturated - saturated zones of an

  15. Electron Transport in Quantum Dots and Heat Transport in Molecules

    DEFF Research Database (Denmark)

    Kirsanskas, Gediminas

    Since the invention of the transistor in 1947 and the development of integrated circuits in the late 1950’s, there was a rapid progress in the development and miniaturization of the solid state devices and electronic circuit components. This miniaturization raises a question “How small do we have...... and to perform electrical transport experiments at temperatures below one Kelvin (1 K), and thus to address such question. In this thesis we are concerned with the theoretical description of one kind of such devices called quantum dots. As the name suggest a quantum dot is a system where particles are confined...... in all three directions, which makes it effectively zero dimensional and corresponds to discrete electronic orbitals (levels) and excitation spectrum. This is analogous to the situation in atoms, where confinement potential replaces the potential of the nucleus, thus quantum dots are often referred...

  16. A kinetic concepto of lipid transport in ruminants.

    Science.gov (United States)

    Palmquist, D L

    1976-03-01

    Summarization of the literature shows a strong correlation between dietary fatty acid intake and total lipid concentration in plasma in lactating cows whereas total milk fat secreted is related to neither of these. In the process of plasma triglyceride removal, chylomicra and very low density lipoproteins are converted to low density lipoproteins. Limited kinetic data indicate that the fractional removal rates for chulomicra and very low density lipoproteins are rapid in lactating cows whereas fractional removal of low density lipoproteins is slower, resulting in accumulation of the latter in plasma. Under such conditions, low density lipoprotein concentrations of plasma would not be expected to reflect quantitatively the transfer of plasma triglyceride fatty acids to milk fat. Quantitative analysis or triglyceride fatty acid turnover in density less than 1.006 lipoproteins should delineate the role of plasma lipid transport in milk fat synthesis. High fat diets protected from rumen biohydrogenation have proven to be a useful approach in studying ruminant fat metabolism and may be used more extensively to elucidate the role of cholesterol in plasma lipid transport and the metabolism of essential fatty acids in ruminants.

  17. Electronic and transport properties of kinked graphene

    DEFF Research Database (Denmark)

    Rasmussen, Jesper Toft; Gunst, Tue; Bøggild, Peter

    2013-01-01

    Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction for the ads......Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction...... for the adsorption of atomic hydrogen at linear bends in graphene. We find a significant barrier lowering (≈15%) for realistic radii of curvature (≈20 Å) and that adsorption along the linear bend leads to a stable linear kink. We compute the electronic transport properties of individual and multiple kink lines......, and demonstrate how these act as efficient barriers for electron transport. In particular, two parallel kink lines form a graphene pseudo-nanoribbon structure with a semimetallic/semiconducting electronic structure closely related to the corresponding isolated ribbons; the ribbon band gap translates...

  18. Replacing Electron Transport Cofactors with Hydrogenases

    KAUST Repository

    Laamarti, Rkia

    2016-12-01

    Enzymes have found applications in a broad range of industrial production processes. While high catalytic activity, selectivity and mild reaction conditions are attractive advantages of the biocatalysts, particularly costs arising from required cofactors pose a sever limitation. While cofactor-recycling systems are available, their use implies constraints for process set-up and conditions, which are a particular problem e.g. for solid-gas-phase reactions. Several oxidoreductases are able to directly exchange electrons with electrodes. Hence, the co-immobilization of both, an electron-utilizing and an electron-generating oxidoreductase on conductive nanoparticles should facilitate the direct electron flow from an enzymatic oxidation to a reduction reaction circumventing redox-cofactors requirements. In such a set-up, hydrogenases could generate and provide electrons directly form gaseous hydrogen. This thesis describes the co-immobilization of the oxygen tolerant hydrogenases from C. eutropha or C. metallidurans and cytochrome P450BM3 as test system. Conductive material in the form of carbon nanotubes (CNT) serves as a suitable support. A combination of the hydrogenase and the catalytic domain of P450BM3 immobilized on carbon nanotubes were tested for the oxidation of lauric acid in the presence of hydrogen instead of an electron-transport cofactor. The GC-MS analysis reveals the conversion of 4% of lauric acid (LA) into three products, which correspond to the hydroxylated lauric acid in three different positions with a total turnover (TON) of 34. The product distribution is similar to that obtained when using the wildtype P450BM3 with the nicotinamide adenine dinucleotide phosphate (NADPH) cofactor. Such electronic coupling couldn’t be achieved for the conversion of other substrates such as propane and cyclohexane, probably due to the high uncoupling rate within the heme-domain of cytochrome P450BM3 when unnatural substrates are introduced.

  19. Electron transport in doped fullerene molecular junctions

    Science.gov (United States)

    Kaur, Milanpreet; Sawhney, Ravinder Singh; Engles, Derick

    The effect of doping on the electron transport of molecular junctions is analyzed in this paper. The doped fullerene molecules are stringed to two semi-infinite gold electrodes and analyzed at equilibrium and nonequilibrium conditions of these device configurations. The contemplation is done using nonequilibrium Green’s function (NEGF)-density functional theory (DFT) to evaluate its density of states (DOS), transmission coefficient, molecular orbitals, electron density, charge transfer, current, and conductance. We conclude from the elucidated results that Au-C16Li4-Au and Au-C16Ne4-Au devices behave as an ordinary p-n junction diode and a Zener diode, respectively. Moreover, these doped fullerene molecules do not lose their metallic nature when sandwiched between the pair of gold electrodes.

  20. Electronic transport properties of (fluorinated) metal phthalocyanine

    KAUST Repository

    Fadlallah, M M

    2015-12-21

    The magnetic and transport properties of the metal phthalocyanine (MPc) and F16MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S–Au wires are investigated by density functional theory within the local density approximation, including local electronic correlations on the central metal atom. The magnetic moments are found to be considerably modified under fluorination. In addition, they do not depend exclusively on the configuration of the outer electronic shell of the central metal atom (as in isolated MPc and F16MPc) but also on the interaction with the leads. Good agreement between the calculated conductance and experimental results is obtained. For M = Ag, a high spin filter efficiency and conductance is observed, giving rise to a potentially high sensitivity for chemical sensor applications.

  1. Convective and diffusive ULF wave driven radiation belt electron transport

    Science.gov (United States)

    Degeling, A. W.; Rankin, R.; Elkington, S. R.

    2011-12-01

    The process of magnetospheric radiation belt electron transport driven by ULF waves is studied using a 2-D ideal MHD model for ULF waves in the equatorial plane including day/night asymmetry and a magnetopause boundary, and a test kinetic model for equatorially mirroring electrons. We find that ULF wave disturbances originating along the magnetopause flanks in the afternoon sector can act to periodically inject phase space density from these regions into the magnetosphere. Closely spaced drift-resonant surfaces for electrons with a given magnetic moment in the presence of the ULF waves create a layer of stochastic dynamics for L-shells above 6.5-7 in the cases examined, extending to the magnetopause. The phase decorrelation time scale for the stochastic region is estimated by the relaxation time for the diffusion coefficient to reach a steady value. This is found to be of the order of 10-15 wave periods, which is commensurate with the typical duration of observed ULF wave packets in the magnetosphere. For L-shells earthward of the stochastic layer, transport is limited to isolated drift-resonant islands in the case of narrowband ULF waves. We examine the effect of increasing the bandwidth of the ULF wave driver by summing together wave components produced by a set of independent runs of the ULF wave model. The wave source spectrum is given a flat-top amplitude of variable width (adjusted for constant power) and random phase. We find that increasing bandwidth can significantly enhance convective transport earthward of the stochastic layer and extend the stochastic layer to lower L-shells.

  2. Optical, electronic and transport properties of tetrahedrites

    Science.gov (United States)

    Kohl, Simon; Vielma, Jason; Foster, David; Schneider, Guenter

    2014-03-01

    Doped Tetrahedrites Cu12-xTMxSb4S13 (TM=Fe,Mn,Zn) have recently attracted interest as thermoelectric materials. We present an ab-initio study based on density functional theory of the optical, electronic and transport properties of these materials. We find in Cu12-xZnxSb~4S13: 1. the band-gap can be tuned through chalcogenide substitution and the optical absorption is very large making tetrahedrites attractive also as solar absorber materials. A point defect study of the Zn rich tetrahedrite (x=2) based on supercell calculations indicates p-type conductivity and Cu-Zn antisite defects are the dominant acceptor defect with Cu-vacancies also contributing. The calculated hole concentration is much larger than what is expected from conductivity measurements. We discuss these results in the context of the observed unusual, variable range hoping like electronic transport properties. Finally we present results of thermopower calculations based on semiclassical Boltzmann theory and discuss the applicability of these approach for tetrahedrites.

  3. Electron thermal transport in tokamak plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Konings, J.A.

    1994-11-30

    The process of fusion of small nuclei thereby releasing energy, as it occurs continuously in the sun, is essential for the existence of mankind. The same process applied in a controlled way on earth would provide a clean and an abundant energy source, and be the long term solution of the energy problem. Nuclear fusion requires an extremely hot (10{sup 8} K) ionized gas, a plasma, that can only be maintained if it is kept insulated from any material wall. In the so called `tokamak` this is achieved by using magnetic fields. The termal insulation, which is essential if one wants to keep the plasma at the high `fusion` temperature, can be predicted using basic plasma therory. A comparison with experiments in tokamaks, however, showed that the electron enery losses are ten to hundred times larger than this theory predicts. This `anomalous transport` of thermal energy implies that, to reach the condition for nuclear fusion, a fusion reactor must have very large dimensions. This may put the economic feasibility of fusion power in jeopardy. Therefore, in a worldwide collaboration, physicists study tokamak plasmas in an attempt to understand and control the energy losses. From a scientific point of view, the mechanisms driving anomalous transport are one of the challenges in fudamental plasma physics. In Nieuwegein, a tokamak experiment (the Rijnhuizen Tokamak Project, RTP) is dedicated to the study of anomalous transport, in an international collaboration with other laboratories. (orig./WL).

  4. Kinetic Theory and Fast Wind Observations of the Electron Strahl

    Science.gov (United States)

    Horaites, Konstantinos; Boldyrev, Stanislav; Wilson, Lynn B., III; Viñas, Adolfo F.; Merka, Jan

    2018-02-01

    We develop a model for the strahl population in the solar wind - a narrow, low-density and high-energy electron beam centred on the magnetic field direction. Our model is based on the solution of the electron drift-kinetic equation at heliospheric distances where the plasma density, temperature and the magnetic field strength decline as power laws of the distance along a magnetic flux tube. Our solution for the strahl depends on a number of parameters that, in the absence of the analytic solution for the full electron velocity distribution function (eVDF), cannot be derived from the theory. We however demonstrate that these parameters can be efficiently found from matching our solution with observations of the eVDF made by the Wind satellite's SWE strahl detector. The model is successful at predicting the angular width (FWHM) of the strahl for the Wind data at 1 au, in particular by predicting how this width scales with particle energy and background density. We find that the strahl distribution is largely determined by the local temperature Knudsen number γ ∼ |T dT/dx|/n, which parametrizes solar wind collisionality. We compute averaged strahl distributions for typical Knudsen numbers observed in the solar wind, and fit our model to these data. The model can be matched quite closely to the eVDFs at 1 au; however, it then overestimates the strahl amplitude at larger heliocentric distances. This indicates that our model may be improved through the inclusion of additional physics, possibly through the introduction of 'anomalous diffusion' of the strahl electrons.

  5. Micromodel investigation of transport effect on the kinetics of reductive dissolution of hematite.

    Science.gov (United States)

    Zhang, Changyong; Liu, Chongxuan; Shi, Zhi

    2013-05-07

    Reductive dissolution of hematite in porous media was investigated using a micromodel (8.1 × 4.5 × 0.028 mm) with realistic pore network structures that include distinctive advection domain, macropores and micropores created in silicon substrate. The micromodel pore surface was sputter deposited with a thin layer (230 nm) of hematite. The hematite in the micromodel was reduced by injecting pH-varying solutions (pH 5.0, 6.0, 7.0) containing a reduced form of flavin mononucleotide (FMNH2, 100 μM), a biogenic soluble electron transfer mediator produced by Shewanella species. The reduction kinetics was determined by measuring effluent Fe(II) (aq) concentration and by spectroscopically monitoring the hematite dissolution front in the micromodel. Batch experiment was also performed to estimate the hematite reduction rate under the well-mixed condition. Results showed significant spatial variation in local redox reaction rate that was controlled by the coupled transport and reaction. The overall rate of the redox reaction in the micromodel required a three-domain numerical model to effectively describe reaction kinetics either with distinctive apparent rate parameters or mass transfer coefficients in different pore domains. Results from this study demonstrated the feasibility of a domain-based modeling approach for scaling reaction rates from batch to porous media systems where reactions may be significantly limited by transport.

  6. Ion age transport: developing devices beyond electronics

    Science.gov (United States)

    Demming, Anna

    2014-03-01

    There is more to current devices than conventional electronics. Increasingly research into the controlled movement of ions and molecules is enabling a range of new technologies. For example, as Weihua Guan, Sylvia Xin Li and Mark Reed at Yale University explain, 'It offers a unique opportunity to integrate wet ionics with dry electronics seamlessly'. In this issue they provide an overview of voltage-gated ion and molecule transport in engineered nanochannels. They cover the theory governing these systems and fabrication techniques, as well as applications, including biological and chemical analysis, and energy conversion [1]. Studying the movement of particles in nanochannels is not new. The transport of materials in rock pores led Klinkenberg to describe an analogy between diffusion and electrical conductivity in porous rocks back in 1951 [2]. And already in 1940, Harold Abramson and Manuel Gorin noted that 'When an electric current is applied across the living human skin, the skin may be considered to act like a system of pores through which transfer of substances like ragweed pollen extract may be achieved both by electrophoretic and by diffusion phenomena' [3]. Transport in living systems through pore structures on a much smaller scale has attracted a great deal of research in recent years as well. The selective transport of ions and small organic molecules across the cell membrane facilitates a number of functions including communication between cells, nerve conduction and signal transmission. Understanding these processes may benefit a wide range of potential applications such as selective separation, biochemical sensing, and controlled release and drug delivery processes. In Germany researchers have successfully demonstrated controlled ionic transport through nanopores functionalized with amine-terminated polymer brushes [4]. The polymer nanobrushes swell and shrink in response to changes in temperature, thus opening and closing the nanopore passage to ionic

  7. Characterizing destructive quantum interference in electron transport

    Science.gov (United States)

    Sam-ang, Panu; Reuter, Matthew G.

    2017-05-01

    Destructive quantum interference in electron transport through molecules provides an unconventional route for suppressing electric current. In this work we introduce ‘interference vectors’ for each interference and use them to characterize the interference. An interference vector may be a combination of multiple molecular orbitals (MOs), leading to more robust interference that is likelier to be experimentally observable. In contrast, an interference vector may itself be a MO, in which case the interference is not robust and will be harder to detect. Our characterization scheme quantifies these two possibilities through the degree of rotation and also assigns an order to each interference that describes the shape of the Landauer-Büttiker transmission function around the interference. Several examples are then presented, showcasing the generality of our theory and characterization scheme, which is not limited to specific classes of molecules or particular molecule-electrode coupling patterns.

  8. Photoinduced bimolecular electron transfer kinetics in small unilamellar vesicles

    Science.gov (United States)

    Choudhury, Sharmistha Dutta; Kumbhakar, Manoj; Nath, Sukhendu; Pal, Haridas

    2007-11-01

    Photoinduced electron transfer (ET) from N,N-dimethylaniline to some coumarin derivatives has been studied in small unilamellar vesicles (SUVs) of the phospholipid, DL-α-dimyristoyl-phosphatidylcholine, using steady-state and time-resolved fluorescence quenching, both below and above the phase transition temperature of the vesicles. The primary interest was to examine whether Marcus inversion [H. Sumi and R. A. Marcus, J. Chem. Phys. 84, 4894 (1986)] could be observed for the present ET systems in these organized assemblies. The influence of the topology of SUVs on the photophysical properties of the reactants and consequently on their ET kinetics has also been investigated. Absorption and fluorescence spectral data of the coumarins in SUVs and the variation of their fluorescence decays with temperature indicate that the dyes are localized in the bilayer of the SUVs. Time-resolved area normalized emission spectra analysis, however, reveals that the dyes are distributed in two different microenvironments in the SUVs, which we attribute to the two leaflets of the bilayer, one toward bulk water and the other toward the inner water pool. The microenvironments in the two leaflets are, however, not indicated to be that significantly different. Time-resolved anisotropy decays were biexponential for all the dyes in SUVs, and this has been interpreted in terms of the compound motion model according to which the dye molecules can experience a fast wobbling-in-cone type of motion as well as a slow overall rotating motion of the cone containing the molecule. The expected bimolecular diffusion-controlled rates in SUVs, as estimated by comparing the microviscosities in SUVs (determined from rotational correlation times) and that in acetonitrile solution, are much slower than the observed fluorescence quenching rates, suggesting that reactant diffusion (translational) does not play any role in the quenching kinetics in the present systems. Accordingly, clear inversions are

  9. Magnetoelectronic transport of the two-dimensional electron gas in ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 72; Issue 2 ... CdSe quantum wells; 2D electron gas; magneto-electronic transport. Abstract. Hall mobility and magnetoresistance coefficient for the two-dimensional (2D) electron transport parallel to the heterojunction interfaces in a single quantum well of CdSe are ...

  10. Electron scattering and transport in liquid argon

    Energy Technology Data Exchange (ETDEWEB)

    Boyle, G. J.; Cocks, D. G.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville 4810 (Australia); McEachran, R. P. [Research School of Physical Sciences and Engineering, Australian National University, Canberra ACT 0200 (Australia)

    2015-04-21

    The transport of excess electrons in liquid argon driven out of equilibrium by an applied electric field is revisited using a multi-term solution of Boltzmann’s equation together with ab initio liquid phase cross-sections calculated using the Dirac-Fock scattering equations. The calculation of liquid phase cross-sections extends previous treatments to consider multipole polarisabilities and a non-local treatment of exchange, while the accuracy of the electron-argon potential is validated through comparison of the calculated gas phase cross-sections with experiment. The results presented highlight the inadequacy of local treatments of exchange that are commonly used in liquid and cluster phase cross-section calculations. The multi-term Boltzmann equation framework accounting for coherent scattering enables the inclusion of the full anisotropy in the differential cross-section arising from the interaction and the structure factor, without an a priori assumption of quasi-isotropy in the velocity distribution function. The model, which contains no free parameters and accounts for both coherent scattering and liquid phase screening effects, was found to reproduce well the experimental drift velocities and characteristic energies.

  11. Gas transport in tight porous media Gas kinetic approach

    NARCIS (Netherlands)

    Shapiro, A. A.; Wesselingh, Johannes

    2008-01-01

    We describe the flow of gas in a porous medium in the kinetic regime, where the viscous flow structure is not formed in separate pores. Special attention is paid to the dense kinetic regime, where the interactions within the gas are as important as the interaction with the porous medium. The

  12. Python framework for kinetic modeling of electronically excited reaction pathways

    Science.gov (United States)

    Verboncoeur, John; Parsey, Guy; Guclu, Yaman; Christlieb, Andrew

    2012-10-01

    The use of plasma energy to enhance and control the chemical reactions during combustion, a technology referred to as ``plasma assisted combustion'' (PAC), can result in a variety of beneficial effects: e.g. stable lean operation, pollution reduction, and wider range of p-T operating conditions. While experimental evidence abounds, theoretical understanding of PAC is at best incomplete, and numerical tools still lack in reliable predictive capabilities. In the context of a joint experimental-numerical effort at Michigan State University, we present here an open-source modular Python framework dedicated to the dynamic optimization of non-equilibrium PAC systems. Multiple sources of experimental reaction data, e.g. reaction rates, cross-sections and oscillator strengths, are used in order to quantify the effect of data uncertainty and limiting assumptions. A collisional-radiative model (CRM) is implemented to organize reactions by importance and as a potential means of measuring a non-Maxwellian electron energy distribution function (EEDF), when coupled to optical emission spectroscopy data. Finally, we explore scaling laws in PAC parameter space using a kinetic global model (KGM) accelerated with CRM optimized reaction sequences and sparse stiff integrators.

  13. Charge transport kinetics in a robust radical-substituted polymer/nanocarbon composite electrode

    Science.gov (United States)

    Sato, Kan; Oyaizu, Kenichi; Nishide, Hiroyuki

    We have reported a series of organic radical-substituted polymers as new-type charge storage and transport materials which could be used for energy related devices such as batteries and solar cells. Redox-active radical moieties introduced to the non-conjugated polymer backbones enable the rapid electron transfer among the adjacent radical sites, and thus large diffusive flux of electrical charge at a bulk scale. Here we present the elucidated charge transport kinetics in a radical polymer/single-walled carbon nanotube (SWNT) composite electrode. The synergetic effect of electrical conduction by a three-dimensional SWNT network and electron self-exchange reaction by radical polymers contributed to the 105-fold (per 1 g of added SWNT) boosting of electrochemical reactions and exceptionally large current density (greater than 1 A/cm2) as a rechargeable electrode. A totally organic-based secondary battery with a submicron thickness was fabricated to demonstrate the splendid electrochemical performances. Grants-in-Aid for Scientific Research (No. 24225003, 15J00888) and the Leading Graduate Program in Science and Engineering, from the Japanese Ministry of Education, Culture, Sports, Science and Technology (MEXT).

  14. Analysis of Exchange Interaction and Electron Delocalization as Intramolecular Determinants of Intermolecular Electron-Transfer Kinetics.

    Science.gov (United States)

    Bominaar, E. L.; Achim, C.; Borshch, S. A.; Girerd, J.-J.; Münck, E.

    1997-08-13

    During the past decades, spectroscopic characterization of exchange interactions and electron delocalization has developed into a powerful tool for the recognition of metal clusters in metalloproteins. By contrast, the biological relevance of these interactions has received little attention thus far. This paper presents a theoretical study in which this problem is addressed. The rate constant for intermolecular electron-transfer reactions which are essential in many biological processes is investigated. An expression is derived for the dependence of the rate constant for self-exchange on the delocalization degree of the mixed-valence species. This result allows us to rationalize published kinetic data. In the simplest case of electron transfer from an exchange-coupled binuclear mixed-valence donor to a diamagnetic acceptor, the rate constant is evaluated, taking into account spin factors and exchange energies in the initial and final state. The theoretical analysis indicates that intramolecular spin-dependent electron delocalization (double exchange) and Heisenberg-Dirac-van Vleck (HDvV) exchange have an important impact on the rate constant for intermolecular electron transfer. This correlation reveals a novel relationship between magnetochemistry and electrochemistry. Contributions to the electron transfer from the ground and excited states of the exchange-coupled dimer have been evaluated. For clusters in which these states have different degrees of delocalization, the excited-state contributions to electron transfer may become dominant at potentials which are less reductive than the potential at which the rate constant for the transfer from the ground state is maximum. The rate constant shows a steep dependence on HDvV exchange, which suggests that an exchange-coupled cluster can act as a molecular switch for exchange-controlled electron gating. The relevance of this result is discussed in the context of substrate specificity of electron-transfer reactions in

  15. Problems of linear electron (polaron) transport theory in semiconductors

    CERN Document Server

    Klinger, M I

    1979-01-01

    Problems of Linear Electron (Polaron) Transport Theory in Semiconductors summarizes and discusses the development of areas in electron transport theory in semiconductors, with emphasis on the fundamental aspects of the theory and the essential physical nature of the transport processes. The book is organized into three parts. Part I focuses on some general topics in the theory of transport phenomena: the general dynamical theory of linear transport in dissipative systems (Kubo formulae) and the phenomenological theory. Part II deals with the theory of polaron transport in a crystalline semicon

  16. A conservative scheme of drift kinetic electrons for gyrokinetic simulation of kinetic-MHD processes in toroidal plasmas

    Science.gov (United States)

    Bao, J.; Liu, D.; Lin, Z.

    2017-10-01

    A conservative scheme of drift kinetic electrons for gyrokinetic simulations of kinetic-magnetohydrodynamic processes in toroidal plasmas has been formulated and verified. Both vector potential and electron perturbed distribution function are decomposed into adiabatic part with analytic solution and non-adiabatic part solved numerically. The adiabatic parallel electric field is solved directly from the electron adiabatic response, resulting in a high degree of accuracy. The consistency between electrostatic potential and parallel vector potential is enforced by using the electron continuity equation. Since particles are only used to calculate the non-adiabatic response, which is used to calculate the non-adiabatic vector potential through Ohm's law, the conservative scheme minimizes the electron particle noise and mitigates the cancellation problem. Linear dispersion relations of the kinetic Alfvén wave and the collisionless tearing mode in cylindrical geometry have been verified in gyrokinetic toroidal code simulations, which show that the perpendicular grid size can be larger than the electron collisionless skin depth when the mode wavelength is longer than the electron skin depth.

  17. Electronic transport in Si:P δ-doped wires

    DEFF Research Database (Denmark)

    Smith, J. S.; Drumm, D. W.; Budi, Akin

    2015-01-01

    Despite the importance of Si:P δ-doped wires for modern nanoelectronics, there are currently no computational models of electron transport in these devices. In this paper we present a nonequilibrium Green’s function model for electronic transport in a δ-doped wire, which is described by a tight...

  18. Kinetically influenced terms for solute transport affected by heterogeneous and homogeneous classical reactions

    Science.gov (United States)

    Bahr, J.M.

    1990-01-01

    This paper extends a four-step derivation procedure, previously presented for cases of transport affected by surface reactions, to transport problems involving homogeneous reactions. Derivations for these classes of reactions are used to illustrate the manner in which mathematical differences between reaction classes are reflected in the mathematical derivation procedures required to identify kinetically influenced terms. Simulation results for a case of transport affected by a single solution phase complexation reaction and for a case of transport affected by a precipitation-dissolution reaction are used to demonstrate the nature of departures from equilibrium-controlled transport as well as the use of kinetically influenced terms in determining criteria for the applicability of the local equilibrium assumption. A final derivation for a multireaction problem demonstrates the application of the generalized procedure to a case of transport affected by reactions of several classes. -from Author

  19. Spin transport in tilted electron vortex beams

    OpenAIRE

    Basu, Banasri; Chowdhury, Debashree

    2016-01-01

    In this paper we have enlightened the spin related issues of tilted Electron vortex beams. We have shown that in the skyrmionic model of electron we can have the spin Hall current considering the tilted type of electron vortex beam. We have considered the monopole charge of the tilted vortex as time dependent and through the time variation of the monopole charge we can explain the spin Hall effect of electron vortex beams. Besides, with an external magnetic field we can have a spin filter con...

  20. Terahertz electromodulation spectroscopy of electron transport in GaN

    Energy Technology Data Exchange (ETDEWEB)

    Engelbrecht, S. G.; Arend, T. R.; Kersting, R., E-mail: roland.kersting@lmu.de [Photonics and Optoelectronics Group, Physics Department and Center for NanoScience (CeNS), Ludwig-Maximilians-Universität, Amalienstr. 54, 80799 München (Germany); Zhu, T.; Kappers, M. J. [Department of Materials Science and Metallurgy, University of Cambridge, Cambridge CB3 0FS (United Kingdom)

    2015-03-02

    Time-resolved terahertz (THz) electromodulation spectroscopy is applied to investigate the high-frequency transport of electrons in gallium nitride at different doping concentrations and densities of threading dislocations. At THz frequencies, all structures reveal Drude transport. The analysis of the spectral response provides the fundamental transport properties, such as the electron scattering time and the electrons' conductivity effective mass. We observe the expected impact of ionized-impurity scattering and that scattering at threading dislocations only marginally affects the high-frequency mobility.

  1. Terahertz electromodulation spectroscopy of electron transport in GaN

    Science.gov (United States)

    Engelbrecht, S. G.; Arend, T. R.; Zhu, T.; Kappers, M. J.; Kersting, R.

    2015-03-01

    Time-resolved terahertz (THz) electromodulation spectroscopy is applied to investigate the high-frequency transport of electrons in gallium nitride at different doping concentrations and densities of threading dislocations. At THz frequencies, all structures reveal Drude transport. The analysis of the spectral response provides the fundamental transport properties, such as the electron scattering time and the electrons' conductivity effective mass. We observe the expected impact of ionized-impurity scattering and that scattering at threading dislocations only marginally affects the high-frequency mobility.

  2. Non-Equilibrium Kinetics and Transport Properties in Reacting Flows in Nozzles

    Science.gov (United States)

    Alexandrova, T. Yu.; Chikhaoui, A.; Kustova, E. V.; Nagnibeda, E. A.

    2003-05-01

    Non-equilibrium vibration-dissociation kinetics, transport properties and dissociation rate coefficients in expanding flows are studied on the basis of different kinetic theory approaches: state-to-state, multi-temperature and one-temperature ones. The limits of validity of more simple models are discussed, the influence of non-equilibrium vibrational distributions, initial conditions, nozzle profile on the macroscopic parameters, heat transfer and reaction rates is investigated.

  3. From quantum field theory to hydrodynamics: Transport coefficients and effective kinetic theory

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, S.; Yaffe, L.G. [Department of Physics, University of Washington, Seattle, Washington 98195-1560 (United States)

    1996-05-01

    The evaluation of hydrodynamic transport coefficients in relativistic field theory, and the emergence of an effective kinetic theory description, is examined. Even in a weakly coupled scalar field theory, interesting subtleties arise at high temperatures where thermal renormalization effects are important. In this domain, a kinetic theory description in terms of the fundamental particles ceases to be valid, but one may derive an effective kinetic theory describing excitations with temperature dependent properties. While the shear viscosity depends on the elastic scattering of typical excitations whose kinetic energies are comparable to the temperature, the bulk viscosity is sensitive to particle nonconserving processes at small energies. As a result, the shear and the bulk viscosities have very different dependence on the interaction strength and temperature, with the bulk viscosity providing an especially sensitive test of the validity of an effective kinetic theory description. {copyright} {ital 1996 The American Physical Society.}

  4. Transport assays in filamentous fungi: kinetic characterization of the UapC purine transporter of Aspergillus nidulans.

    Science.gov (United States)

    Krypotou, Emilia; Diallinas, George

    2014-02-01

    Transport assays allow the direct kinetic analysis of a specific transporter by measuring apparent Km and Vmax values, and permit the characterization of substrate specificity profiles through competition assays. In this protocol we describe a rapid and easy method for performing uptake assays in the model filamentous ascomycete Aspergillus nidulans. Our method makes use of A. nidulans germinating conidiospores at a defined morphological stage in which most transporters show maximal expression, avoiding technical difficulties associated with the use of mycelia. In combination with the ease of construction of genetic null mutants in A. nidulans, our method allows the rigorous characterization of any transporter in genetic backgrounds that are devoid of other transporters of similar specificity. Here, we use this method to characterize the kinetic parameters and the specificity profile of UapC, a uric acid-xanthine transporter present in all ascomycetes and member of the ubiquitous Nucleobase-Ascorbate Transporter family, in specific genetic backgrounds lacking other relevant transporters. Copyright © 2014. Published by Elsevier Inc.

  5. An ab initio electronic transport database for inorganic materials

    Science.gov (United States)

    Ricci, Francesco; Chen, Wei; Aydemir, Umut; Snyder, G. Jeffrey; Rignanese, Gian-Marco; Jain, Anubhav; Hautier, Geoffroy

    2017-07-01

    Electronic transport in materials is governed by a series of tensorial properties such as conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the understanding of materials in many fields from thermoelectrics to electronics and photovoltaics. Transport properties can be calculated from a material's band structure using the Boltzmann transport theory framework. We present here the largest computational database of electronic transport properties based on a large set of 48,000 materials originating from the Materials Project database. Our results were obtained through the interpolation approach developed in the BoltzTraP software, assuming a constant relaxation time. We present the workflow to generate the data, the data validation procedure, and the database structure. Our aim is to target the large community of scientists developing materials selection strategies and performing studies involving transport properties.

  6. Nonequilibrium electron transport through quantum dots in the Kondo regime

    DEFF Research Database (Denmark)

    Wölfle, Peter; Paaske, Jens; Rosch, Achim

    2005-01-01

    Electron transport at large bias voltage through quantum dots in the Kondo regime is described within the perturbative renormalization group extended to nonequilibrium. The conductance, local magnetization, dynamical spin susceptibility and local spectral function are calculated. We show how...

  7. Extracellular Electron Transport Coupling Biogeochemical Processes Centimeters

    DEFF Research Database (Denmark)

    Risgaard-Petersen, Nils; Fossing, Henrik; Christensen, Peter Bondo

    2010-01-01

    Recent observations in marine sediment have revealed  conductive networks transmitting electrons from oxidation processes in the anoxic zone to oxygen reduction in the oxiczone [1]. The electrochemical processes and conductors seem to be biologically controlled and may account for more than half...... of the oxygen uptake in laboratory incubations of initially homogenized and stabilized sediment. Using microsensors and process rate measurements we further investigated the effect of the electric currents on sediment biogeochemistry. Dissolved sulfide readily donated electrons to the networks and could...... confirmed the depth range of the electric communication and indicated donation of electrons directly from organotrophic bacteria. The separation of oxidation and reduction processes created steep pH gradients eventually causing carbonate precipitation at the surface. The results indicate that electron...

  8. Kinetics of lactate and pyruvate transport in cultured rat myotubes

    DEFF Research Database (Denmark)

    von Grumbckow, Lena; Elsner, Peter; Hellsten, Ylva

    1999-01-01

    Skeletal muscle transport of lactate and pyruvate was studied in primary cultures of rat myotubes, applying the pH-sensitive fluorescent indicator 2', 7'-bis(carboxyethyl)-5(6)-carboxyfluorescein. The initial rate of decrease in intracellular pH (pHi) upon lactate or pyruvate incubation was used......, respectively. Furthermore, it was observed that the two monocarboxylate transporter isoforms present in mature skeletal muscles, MCT1 and MCT4 (formerly called MCT3 (M.C. Wilson, V.N. Jackson, C. Heddle, N.T. Price, H. Pilegaard, C. Juel, A. Bonen, I. Montgomery, O.F. Hutter, A.P. Halestrap, Lactic acid efflux...... from white skeletal muscle is catalyzed by the monocarboxylate transporter isoform MCT3, J. Biol. Chem. 273 (1998) 15920-15926)), were also expressed in primary culture of myotubes....

  9. Simulations of eddy kinetic energy transport in barotropic turbulence

    Science.gov (United States)

    Grooms, Ian

    2017-11-01

    Eddy energy transport in rotating two-dimensional turbulence is investigated using numerical simulation. Stochastic forcing is used to generate an inhomogeneous field of turbulence and the time-mean energy profile is diagnosed. An advective-diffusive model for the transport is fit to the simulation data by requiring the model to accurately predict the observed time-mean energy distribution. Isotropic harmonic diffusion of energy is found to be an accurate model in the case of uniform, solid-body background rotation (the f plane), with a diffusivity that scales reasonably well with a mixing-length law κ ∝V ℓ , where V and ℓ are characteristic eddy velocity and length scales. Passive tracer dynamics are added and it is found that the energy diffusivity is 75 % of the tracer diffusivity. The addition of a differential background rotation with constant vorticity gradient β leads to significant changes to the energy transport. The eddies generate and interact with a mean flow that advects the eddy energy. Mean advection plus anisotropic diffusion (with reduced diffusivity in the direction of the background vorticity gradient) is moderately accurate for flows with scale separation between the eddies and mean flow, but anisotropic diffusion becomes a much less accurate model of the transport when scale separation breaks down. Finally, it is observed that the time-mean eddy energy does not look like the actual eddy energy distribution at any instant of time. In the future, stochastic models of the eddy energy transport may prove more useful than models of the mean transport for predicting realistic eddy energy distributions.

  10. Hot electrons in superlattices: quantum transport versus Boltzmann equation

    DEFF Research Database (Denmark)

    Wacker, Andreas; Jauho, Antti-Pekka; Rott, S.

    1999-01-01

    A self-consistent solution of the transport equation is presented for semiconductor superlattices within different approaches: (i) a full quantum transport model based on nonequilibrium Green functions, (ii) the semiclassical Boltzmann equation for electrons in a miniband, and (iii) Boltzmann...... equation for electrons in Wannier-Stark states. We find good quantitative agreement of the approximations (ii) and (iii) with (i) in their respective ranges of validity. (C) 1999 Elsevier Science B.V. All rights reserved....

  11. Hydrogen vacancies facilitate hydrogen transport kinetics in sodium hydride nanocrystallites

    NARCIS (Netherlands)

    Singh, S.; Eijt, S.W.H.

    2008-01-01

    We report ab initio calculations based on density-functional theory, of the vacancy-mediated hydrogen migration energy in bulk NaH and near the NaH(001) surface. The estimated rate of the vacancy mediated hydrogen transport, obtained within a hopping diffusion model, is consistent with the reaction

  12. Electron transport in wurtzite InN

    Indian Academy of Sciences (India)

    This critical field is strongly dependent on InN parameters. The steady-state transport parameters are in fair agreement with other recent calculations. Author Affiliations. F M Abou El-Ela1 B M El-Assy1. Department of Physics, Faculty of Girls, Ain Shams University, Heliopolis, Cairo, Egypt. Dates. Manuscript received: 4 July ...

  13. Unconventional aspects of electronic transport in delafossite oxides

    OpenAIRE

    Daou, Ramzy; Frésard, Raymond; Eyert, Volker; Hébert, Sylvie; Maignan, Antoine

    2017-01-01

    The electronic transport properties of the delafossite oxides ABO$_2$ are usually understood in terms of two well separated entities, namely, the triangular A$^+$ and (BO$_2$)$^-$ layers. Here we review several cases among this extensive family of materials where the transport depends on the interlayer coupling and displays unconventional properties. We review the doped thermoelectrics based on CuRhO$_2$ and CuCrO$_2$, which show a high-temperature recovery of Fermi-liquid transport exponents...

  14. Electron and proton kinetics and dynamics in flaring atmospheres

    CERN Document Server

    Zharkova, Valentina

    2012-01-01

    This timely book presents new research results on high-energy particle physics related to solar flares, covering the theory and applications of the reconnection process in a clear and comprehensible way. It investigates particle kinetics and dynamics in flaring atmospheres and their diagnostics from spectral observations, while providing an analysis of the observation data and techniques and comparing various models. Written by an internationally acclaimed expert, this is vital reading for all solar, astro-, and plasma physicists working in the field.

  15. Lactate/H+ transport kinetics in rat skeletal muscle related to fibre type and changes in transport capacity

    DEFF Research Database (Denmark)

    Juel; Pilegaard

    1998-01-01

    muscles, muscles of old rats and rats that had been subjected to high-intensity training, endurance training, repeated exposure to hypoxia, and hypothyroid or hyperthyroid treatments. The lactate/H+ transport capacity of red muscles was greater than that of white muscles, and this difference......Lactate/H+ transport kinetics were determined by means of the pH-sensitive probe BCECF in sarcolemmal giant vesicles, obtained from rat skeletal muscle, and related to variations in lactate/H+ transport capacity. Vesicle preparations were made from red and white muscles, mixed muscles, denervated...... and hypothyroidism was due to a decrease in Vmax. The denervation-induced decline in lactate/H+ transport capacity resulted from both an increased Km and a reduced Vmax. The present data show that muscle type differences and most changes in the lactate/H+ transport capacity are mediated by modifications in Vmax...

  16. Transport properties of copper phthalocyanine based organic electronic divices

    OpenAIRE

    Opitz, Andreas

    2010-01-01

    Transport properties of copper phthalocyanine based organic electronic divices / W. Brütting ... - In: Cooperative phenomena in solids with electronic correlations / Ed. by: U. Eckern ... - Les Ulis : EDP Sciences, 2010. - S. 117-134. - (The European physical journal : special topics ; 180)

  17. Effects of model approximations for electron, hole, and photon transport in swift heavy ion tracks

    Science.gov (United States)

    Rymzhanov, R. A.; Medvedev, N. A.; Volkov, A. E.

    2016-12-01

    The event-by-event Monte Carlo code, TREKIS, was recently developed to describe excitation of the electron subsystems of solids in the nanometric vicinity of a trajectory of a nonrelativistic swift heavy ion (SHI) decelerated in the electronic stopping regime. The complex dielectric function (CDF) formalism was applied in the used cross sections to account for collective response of a matter to excitation. Using this model we investigate effects of the basic assumptions on the modeled kinetics of the electronic subsystem which ultimately determine parameters of an excited material in an SHI track. In particular, (a) effects of different momentum dependencies of the CDF on scattering of projectiles on the electron subsystem are investigated. The 'effective one-band' approximation for target electrons produces good coincidence of the calculated electron mean free paths with those obtained in experiments in metals. (b) Effects of collective response of a lattice appeared to dominate in randomization of electron motion. We study how sensitive these effects are to the target temperature. We also compare results of applications of different model forms of (quasi-) elastic cross sections in simulations of the ion track kinetics, e.g. those calculated taking into account optical phonons in the CDF form vs. Mott's atomic cross sections. (c) It is demonstrated that the kinetics of valence holes significantly affects redistribution of the excess electronic energy in the vicinity of an SHI trajectory as well as its conversion into lattice excitation in dielectrics and semiconductors. (d) It is also shown that induced transport of photons originated from radiative decay of core holes brings the excess energy faster and farther away from the track core, however, the amount of this energy is relatively small.

  18. Transport Phenomena and Interfacial Kinetics in Multiphase Combustion Systems

    Science.gov (United States)

    1991-02-01

    Transport phenomena involving the motion of small (mass-)loaded aerosol systems, the literature of this particles suspended in gaseous media and theit depo...flowing nonisothermal gaseous would expect S k to have a similar influence on the media , simultaneously including for the first time the convective...is in the tihermal BL and its infuence on the total much larger than the characteristic time re- deposition rate is taken into account. Since the im

  19. Transport of secondary electrons and reactive species in ion tracks

    CERN Document Server

    Surdutovich, Eugene

    2015-01-01

    The transport of reactive species brought about by ions traversing tissue-like medium is analysed analytically. Secondary electrons ejected by ions are capable of ionizing other molecules; the transport of these generations of electrons is studied using the random walk approximation until these electrons remain ballistic. Then, the distribution of solvated electrons produced as a result of interaction of low-energy electrons with water molecules is obtained. The radial distribution of energy loss by ions and secondary electrons to the medium yields the initial radial dose distribution, which can be used as initial conditions for the predicted shock waves. The formation, diffusion, and chemical evolution of hydroxyl radicals in liquid water are studied as well.

  20. The role of three-dimensional transport in driving enhanced electron acceleration during magnetic reconnection

    Science.gov (United States)

    Dahlin, J. T.; Drake, J. F.; Swisdak, M.

    2017-09-01

    Magnetic reconnection is an important driver of energetic particles in many astrophysical phenomena. Using kinetic particle-in-cell simulations, we explore the impact of three-dimensional reconnection dynamics on the efficiency of particle acceleration. In two-dimensional systems, Alfvénic outflows expel energetic electrons into flux ropes where they become trapped and disconnected from acceleration regions. However, in three-dimensional systems these flux ropes develop an axial structure that enables particles to leak out and return to acceleration regions. This requires a finite guide field so that particles may move quickly along the flux rope axis. We show that greatest energetic electron production occurs when the guide field is of the same order as the reconnecting component: large enough to facilitate strong transport, but not so large as to throttle the dominant Fermi mechanism responsible for efficient electron acceleration. This suggests a natural explanation for the envelope of electron acceleration during the impulsive phase of eruptive flares.

  1. Structural disorder and electron transport in graphene at low temperatures

    Science.gov (United States)

    Bobenko, N. G.; Egorushkin, V. E.; Melnikova, N. V.; Ponomarev, A. N.; Belosludtseva, A. A.; Barkalov, L. D.

    2017-12-01

    A theoretical study of electron transport characteristics of metalized epitaxial graphene with impurities and structural inhomogeneous of the short-range order type was performed. The electron relaxation time, mean free path, and diffusion coefficient were calculated and shown to be of the same order of magnitude as the corresponding values for phonon characteristics. It means that electron scattering on the short-range ordered domains has to be taken into account, especially at low temperatures when it may dominate phonon scattering.

  2. Monte Carlo simulation of heavy ion induced kinetic electron emission from an Al surface

    CERN Document Server

    Ohya, K

    2002-01-01

    A Monte Carlo simulation is performed in order to study heavy ion induced kinetic electron emission from an Al surface. In the simulation, excitation of conduction band electrons by the projectile ion and recoiling target atoms is treated on the basis of the partial wave expansion method, and the cascade multiplication process of the excited electrons is simulated as well as collision cascade of the recoiling target atoms. Experimental electron yields near conventional threshold energies of heavy ions are simulated by an assumption of a lowering in the apparent surface barrier for the electrons. The present calculation derives components for electron excitations by the projectile ion, the recoiling target atoms and the electron cascades, from the calculated total electron yield. The component from the recoiling target atoms increases with increasing projectile mass, whereas the component from the electron cascade decreases. Although the components from the projectile ion and the electron cascade increase with...

  3. Electron transport in stretched monoatomic gold wires.

    Science.gov (United States)

    Grigoriev, A; Skorodumova, N V; Simak, S I; Wendin, G; Johansson, B; Ahuja, R

    2006-12-08

    The conductance of monoatomic gold wires containing 3-7 gold atoms has been obtained from ab initio calculations. The transmission is found to vary significantly depending on the wire stretching and the number of incorporated atoms. Such oscillations are determined by the electronic structure of the one-dimensional (1D) part of the wire between the contacts. Our results indicate that the conductivity of 1D wires can be suppressed without breaking the contact.

  4. Non-equilibrium reacting gas flows kinetic theory of transport and relaxation processes

    CERN Document Server

    Nagnibeda, Ekaterina; Nagnibeda, Ekaterina

    2009-01-01

    This volume develops the kinetic theory of transport phenomena and relaxation processes in the flows of reacting gas mixtures. The theory is applied to the modeling of non-equilibrium flows behind strong shock waves, in the boundary layer, and in nozzles.

  5. Particle transport and deposition: basic physics of particle kinetics.

    Science.gov (United States)

    Tsuda, Akira; Henry, Frank S; Butler, James P

    2013-10-01

    The human body interacts with the environment in many different ways. The lungs interact with the external environment through breathing. The enormously large surface area of the lung with its extremely thin air-blood barrier is exposed to particles suspended in the inhaled air. The particle-lung interaction may cause deleterious effects on health if the inhaled pollutant aerosols are toxic. Conversely, this interaction can be beneficial for disease treatment if the inhaled particles are therapeutic aerosolized drugs. In either case, an accurate estimation of dose and sites of deposition in the respiratory tract is fundamental to understanding subsequent biological response, and the basic physics of particle motion and engineering knowledge needed to understand these subjects is the topic of this article. A large portion of this article deals with three fundamental areas necessary to the understanding of particle transport and deposition in the respiratory tract. These are: (i) the physical characteristics of particles, (ii) particle behavior in gas flow, and (iii) gas-flow patterns in the respiratory tract. Other areas, such as particle transport in the developing lung and in the diseased lung are also considered. The article concludes with a summary and a brief discussion of areas of future research. © 2013 American Physiological Society. Compr Physiol 3:1437-1471, 2013.

  6. Effect of impurities on kinetic transport processes in fusion plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Braun, Stefanie

    2010-12-10

    Within the framework of this thesis, different problems arising in connection with impurities have been investigated. Collisional damping of zonal flows in tokamaks: Since the Coulomb collision frequency increases with increasing ion charge, heavy, highly charged impurities play an important role in this process. The effect of such impurities on the linear response of the plasma to an external potential perturbation, as caused by zonal flows, is calculated with analytical methods. In comparison with a pure plasma, the damping of the flows occurs, as expected, considerably faster; for experimentally relevant parameters, the enhancement exceeds the effective charge Z{sub eff} of the plasma. Impurity transport driven by microturbulence in tokamaks: With regard to impurities, it is especially important whether the resulting flows are directed inwards or outwards, since they are deleterious for core energy confinement on the one hand, but on the other hand help protecting plasma-facing components from too high energy fluxes in the edge region. A semi-analytical model is presented describing the resulting impurity fluxes and the stability boundary of the underlying mode. The main goal is to bridge the gap between, on the one hand, costly numerical simulations, which are applicable to a broad range of problems but yield scarcely traceable results, and, on the other hand, analytical theory, which might ease the interpretation of the results but is so far rather rudimentary. The model is based on analytical formulae whenever possible but resorts to a numerical treatment when the approximations necessary for an analytical solution would lead to a substantial distortion of the results. Both the direction of the impurity flux and the stability boundary are found to depend sensitively on the plasma parameters such as the impurity density and the temperature gradient. Pfirsch-Schlueter transport in stellarators: Due to geometry effects, collisional transport plays a much more

  7. Kinetics of electrons and neutral particles in radio-frequency transformer coupled plasma H- ion source at Seoul National University

    Science.gov (United States)

    Chung, K. J.; Dang, J. J.; Kim, J. Y.; Cho, W. H.; Hwang, Y. S.

    2016-10-01

    In volume production H- ion sources, control of electron temperature is essential due to its close correlation with the generation of vibrationally-excited hydrogen molecules in the driver region as well as the generation of H- ions by dissociative attachment in the extraction region. In the ion source group at Seoul National University (SNU) in Korea, a lot of research effort has been made to the development of a volume production H- ion source based on radio-frequency (RF) transformer-coupled plasma (TCP) for long lifetime continuous wave (CW) operation. It has a spiral RF antenna located outside the discharge chamber to generate a plasma with high electron temperature in the driver region and employs a magnetic filter field to prevent high energy electrons from being transported to the extraction region. In this paper, we present the recent progress on understanding of the underlying physics of the RF TCP H- ion source at SNU. Special attention is paid to the characterization of electron kinetics regime for controlling electron energy distribution and the influence of relaxation of neutral particles during the transport across the magnetic filter region. Effect of the degree of dissociation on the production of H- ions is also discussed.

  8. Vibrationally coupled electron transport through single-molecule junctions

    Energy Technology Data Exchange (ETDEWEB)

    Haertle, Rainer

    2012-04-26

    Single-molecule junctions are among the smallest electric circuits. They consist of a molecule that is bound to a left and a right electrode. With such a molecular nanocontact, the flow of electrical currents through a single molecule can be studied and controlled. Experiments on single-molecule junctions show that a single molecule carries electrical currents that can even be in the microampere regime. Thereby, a number of transport phenomena have been observed, such as, for example, diode- or transistor-like behavior, negative differential resistance and conductance switching. An objective of this field, which is commonly referred to as molecular electronics, is to relate these transport phenomena to the properties of the molecule in the contact. To this end, theoretical model calculations are employed, which facilitate an understanding of the underlying transport processes and mechanisms. Thereby, one has to take into account that molecules are flexible structures, which respond to a change of their charge state by a profound reorganization of their geometrical structure or may even dissociate. It is thus important to understand the interrelation between the vibrational degrees of freedom of a singlemolecule junction and the electrical current flowing through the contact. In this thesis, we investigate vibrational effects in electron transport through singlemolecule junctions. For these studies, we calculate and analyze transport characteristics of both generic and first-principles based model systems of a molecular contact. To this end, we employ a master equation and a nonequilibrium Green's function approach. Both methods are suitable to describe this nonequilibrium transport problem and treat the interactions of the tunneling electrons on the molecular bridge non-perturbatively. This is particularly important with respect to the vibrational degrees of freedom, which may strongly interact with the tunneling electrons. We show in detail that the resulting

  9. Advances in Studies of Electrode Kinetics and Mass Transport in AMTEC Cells (abstract)

    Science.gov (United States)

    Williams, R. M.; Jeffries-Nakamura, B.; Ryan, M. A.; Underwood, M. L.; Kisor, A.; O'Connor, D.; Kikkert, S.

    1993-01-01

    Previous work reported from JPL has included characterization of electrode kinetics and alkali atom transport from electrodes including Mo, W, WRh(sub x), WPt(sub x)(Mn), in sodium AMTEC cells and vapor exposure cells, and Mo in potassium vapor exposure cells. These studies were generally performed in cells with small area electrodes (about 1 to 5 cm(sup 2)), and device geometry had little effect on transport. Alkali diffusion coefficients through these electrodes have been characterized, and approximate surface diffusion coefficients derived in cases of activated transport. A basic model of electrode kinetic at the alkali metal vapor/porous metal electrode/alkali beta'-alumina solid electrolyte three phase boundary has been proposed which accounts for electrochemical reaction rates with a collision frequency near the three phase boundary and tunneling from the porous electrode partially covered with adsorbed alkali metal atoms. The small electrode effect in AMTEC cells has been discussed in several papers, but quantitative investigations have described only the overall effect and the important contribution of electrolyte resistance. The quantitative characterization of transport losses in cells with large area electrodes has been limited to simulations of large area electrode effects, or characterization of transport losses from large area electrodes with significant longitudinal temperature gradients. This paper describes new investigations of electrochemical kinetics and transport, particularily with WPt(sub 3.5) electrodes, including the influence of electrode size on the mass transport loss in the AMTEC cell. These electrodes possess excellent sodium transport properties making verification of device limitations on transport much more readily attained.

  10. Electron kinetic effects on optical diagnostics in fusion plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Mirnov, V. V.; Den Hartog, D. J.; Duff, J.; Parke, E. [University of Wisconsin-Madison and the Center for Magnetic Self-Organization in Laboratory and Astrophysical Plasmas, Madison, Wisconsin (United States); Brower, D. L., E-mail: vvmirnov@wisc.edu; Ding, W. X. [University of California Los Angeles, Los Angeles, California (United States)

    2014-08-21

    At anticipated high electron temperatures in ITER, the effects of electron thermal motion on Thomson scattering (TS), toroidal interferometer/polarimeter (TIP) and poloidal polarimeter (PoPola) diagnostics will be significant and must be accurately treated. We calculate electron thermal corrections to the interferometric phase and polarization state of an EM wave propagating along tangential and poloidal chords (Faraday and Cotton-Mouton polarimetry) and perform analysis of the degree of polarization for incoherent TS. The precision of the previous lowest order linear in τ = T{sub e}/m{sub e}c{sup 2} model may be insufficient; we present a more precise model with τ{sup 2}-order corrections to satisfy the high accuracy required for ITER TIP and PoPola diagnostics. The linear model is extended from Maxwellian to a more general class of anisotropic electron distributions that allows us to take into account distortions caused by equilibrium current, ECRH and RF current drive effects. The classical problem of degree of polarization of incoherent Thomson scattered radiation is solved analytically exactly without any approximations for the full range of incident polarizations, scattering angles, and electron thermal motion from non-relativistic to ultra-relativistic. The results are discussed in the context of the possible use of the polarization properties of Thomson scattered light as a method of T{sup e} measurement relevant to ITER operational scenarios.

  11. On the accuracy of the noninteracting electron approximation for vibrationally coupled electron transport

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Haobin, E-mail: haobin.wang@ucdenver.edu [Department of Chemistry, University of Colorado Denver, Denver, CO 80217-3364 (United States); Thoss, Michael [Institut für Theoretische Physik und Interdisziplinäres Zentrum für Molekulare Materialien, Friedrich-Alexander-Universität Erlangen-Nürnberg, Staudtstr. 7/B2, D-91058 (Germany)

    2016-12-20

    The accuracy of the noninteracting electron approximation is examined for a model of vibrationally coupled electron transport in single molecule junction. In the absence of electronic-vibrational coupling, steady state transport in this model is described exactly by Landauer theory. Including coupling, both electronic-vibrational and vibrationally induced electron–electron correlation effects may contribute to the real time quantum dynamics. Using the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory to describe nuclear dynamics exactly while maintaining the noninteracting electron approximation for the electronic dynamics, the correlation effects are analyzed in different physical regimes. It is shown that although the noninteracting electron approximation may be reasonable for describing short time dynamics, it does not give the correct long time limit for certain initial conditions.

  12. Superconductivity, Antiferromagnetism, and Kinetic Correlation in Strongly Correlated Electron Systems

    Directory of Open Access Journals (Sweden)

    Takashi Yanagisawa

    2015-01-01

    Full Text Available We investigate the ground state of two-dimensional Hubbard model on the basis of the variational Monte Carlo method. We use wave functions that include kinetic correlation and doublon-holon correlation beyond the Gutzwiller ansatz. It is still not clear whether the Hubbard model accounts for high-temperature superconductivity. The antiferromagnetic correlation plays a key role in the study of pairing mechanism because the superconductive phase exists usually close to the antiferromagnetic phase. We investigate the stability of the antiferromagnetic state when holes are doped as a function of the Coulomb repulsion U. We show that the antiferromagnetic correlation is suppressed as U is increased exceeding the bandwidth. High-temperature superconductivity is possible in this region with enhanced antiferromagnetic spin fluctuation and pairing interaction.

  13. Alfven Waves and Electron Energization and Their Interaction with Auroral Ionospheric Plasma Transport

    Science.gov (United States)

    Jaafari, F. B.; Horwitz, J. L.; Jones, S.; Su, Y.; Zeng, W.

    2008-12-01

    When inertial Alfvén waves propagate along auroral field lines, they involve parallel electric fields which can accelerate auroral electrons. Here, we simulate the propagation of Alfvén waves through O+ and H+ auroral ionosphere-magnetosphere density profiles obtained from the UT Arlington Dynamic Fluid- Kinetic (DyFK) ionospheric plasma transport model. A linear one dimensional gyrofluid code [Jones and Parker, 2003] is used for the Alfvén wave description, incorporating electron inertia, electron pressure gradient and finite ion gyroradius effects. Then, the test particle approach of Su et al. [2004] is used to simulate the response of a distribution of electrons to these Alfvén wave electric fields. These electrons are incorporated into the DyFK model to produce a partially-self-consistent approach to producing the associated ionization and thermal electron heating within the ionosphere-magnetosphere system. Jones, S. T., and S. E. Parker (2003), Including electron inertia without advancing electron flow, J. Comput. Phys., 191, 322. Su, Y.-J., S. T. Jones, R. E. Ergun, and S. E. Parker (2004), Modeling of field-aligned electron bursts by dispersive Alfvén waves in the dayside auroral region, J. Geophys. Res., 109, A11201, doi:10.1029/2003JA010344.

  14. Electron transport in InAs nanowire quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Fuhrer, Andreas [Nanometer Structure Consortium, Lund Universtity, Box 118, S-221 00 Lund (Sweden); School of Physics, University of New South Wales, Sydney, New South Wales 2052 (Australia); Fasth, Carina; Samuelson, Lars [Nanometer Structure Consortium, Lund Universtity, Box 118, S-221 00 Lund (Sweden)

    2008-07-01

    We investigate electron transport in single and double quantum dots defined in catalytically grown InAs nanowires containing down to a single electron. We determine g-factor and strength of the spin-orbit interaction directly from excited state measurements in these few electron quantum dots. Using local gates to deplete homogeneous InAs nanowires offers a high degree of tunability for defining double quantum dots. Here we show that such systems are ideally suited to manipulate single spins and charges for electron pumping, charge read-out and spin manipulation applications.

  15. Thermodynamic, kinetic and electronic structure aspects of a charge ...

    Indian Academy of Sciences (India)

    Our recent work on charge transfer in the electronically push-pull dimethylaminoazobenzene-fullerene C60 donor-bridge-acceptor dyad through orbital picture revealed charge displacement from the n(N=N) (non-bonding) and (N=N) type orbitals centred on the donor part to the purely fullerene centred LUMOs and ...

  16. Illustrating the Mass Transport Effect on Enzyme Cascade Reaction Kinetics Using a Rotating Ring Disk Electrode.

    Science.gov (United States)

    Wu, Zeng-Qiang; Liu, Jun-Jun; Li, Jin-Yi; Xu, Dan; Xia, Xing-Hua

    2017-11-07

    Electrochemical biosensors based on enzymatic reaction have been applied into a wide range of fields. As the trend continues to grow, these biosensors are approaching to the limit imposed by physics and chemistry. To further improve the performance of the biosensors, the interplay of mass transport and enzymatic reaction kinetics, especially in the enzyme cascade systems, should be considered at the design of biosensors. Herein, we propose a simple approach to the studying on the influence of mass transport and enzyme molecules motion on the kinetics of enzyme cascade reactions. β-galactosidase (β-Gal) and glucose oxidase (GOx) of the enzyme cascade reaction are precisely immobilized onto the disk and ring electrodes of rotating ring disk electrode (RRDE) via covalent attachment method, respectively. At a low rotating speed (<600 rpm), the convective transport promotes the enzyme cascade reaction. When the rotating speed is higher than 600 rpm, the cascade reaction develops into kinetics controlled. Further increase of the rotating speed results in slow decline in reaction rate possibly due to the production inhibition effect. In addition, the conformation change of the enzyme at higher centrifugal forces on enzyme activity should be considered. This study would shine lights on the effect of convective force on regulation of kinetics of enzyme cascade reaction, offering an ideal platform for studying other enzyme cascade reactions and providing fundamentals to design high performance of biosensors, biofuel cells and bioelectronics.

  17. Electron transport through a quantum interferometer: a theoretical study

    Science.gov (United States)

    Maiti, Santanu K.

    2010-05-01

    In the present work, we explore the properties of electron transport through a quantum interferometer attached symmetrically to two one-dimensional semi-infinite metallic electrodes, namely the source and the drain. The interferometer is made up of two sub-rings where individual sub-rings are penetrated by the Aharonov-Bohm (AB) fluxes phi1 and phi2, respectively. We adopt a simple tight-binding framework to describe the model, and all the calculations are done based on the single-particle Green's function formalism. Our exact numerical calculations describe two-terminal conductance and current as functions of the interferometer-to-electrode coupling strength, magnetic fluxes threaded by left and right sub-rings of the interferometer and the difference of these two fluxes. Our theoretical results reveal several interesting features of electron transport across the interferometer, and these aspects may be utilized to study electron transport in AB geometries.

  18. Kinetic approach to the helium transport in a divertor plasma along the magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Krasheninnikov, S.I.; Soboleva, T.K. (I.V. Kurchatov Inst. of Atomic Energy, Ploshchad akademika Kurchatova, 123281 Moscos (SU)); Gac, K. (Instytut Fizyki Plazmy i Laserowej Mikrosyntezy, Warsaw (Poland))

    1990-11-01

    This paper considers impurity (helium) ion transport kinetics in a tokamak divertor along magnetic field lines, both analytically and numerically, for the case when the ratio of collisional mean-free-path to the characteristic length of plasma parameter variation is not too small. To obtain the numerical solution of the kinetics equation, the stochastic modeling method is used. For International Thermonuclear Experimental Reactor (ITER) divertor plasma conditions, the influence of thermal force on helium ions is expected to be decreased considerably. As a result, the helium ion flux toward the divertor plates may be significantly enhanced compared to that predicted by the hydrodynamics approach.

  19. Electron-transfer kinetics in cyanobacterial cells: methyl viologen is a poor inhibitor of linear electron flow.

    Science.gov (United States)

    Sétif, Pierre

    2015-02-01

    The inhibitor methyl viologen (MV) has been widely used in photosynthesis to study oxidative stress. Its effects on electron transfer kinetics in Synechocystis sp. PCC6803 cells were studied to characterize its electron-accepting properties. For the first hundreds of flashes following MV addition at submillimolar concentrations, the kinetics of NADPH formation were hardly modified (less than 15% decrease in signal amplitude) with a significant signal decrease only observed after more flashes or continuous illumination. The dependence of the P700 photooxidation kinetics on the MV concentration exhibited a saturation effect at 0.3 mM MV, a concentration which inhibits the recombination reactions in photosystem I. The kinetics of NADPH formation and decay under continuous light with MV at 0.3 mM showed that MV induces the oxidation of the NADP pool in darkness and that the yield of linear electron transfer decreased by only 50% after 1.5-2 photosystem-I turnovers. The unexpectedly poor efficiency of MV in inhibiting NADPH formation was corroborated by in vitro flash-induced absorption experiments with purified photosystem-I, ferredoxin and ferredoxin-NADP(+)-oxidoreductase. These experiments showed that the second-order rate constants of MV reduction are 20 to 40-fold smaller than the competing rate constants involved in reduction of ferredoxin and ferredoxin-NADP(+)-oxidoreductase. The present study shows that MV, which accepts electrons in vivo both at the level of photosystem-I and ferredoxin, can be used at submillimolar concentrations to inhibit recombination reactions in photosystem-I with only a moderate decrease in the efficiency of fast reactions involved in linear electron transfer and possibly cyclic electron transfer. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. Dissipationless transport of spin-polarized electrons and Cooper pairs in an electron waveguide

    Science.gov (United States)

    Levy, J.; Annadi, A.; Lu, S.; Cheng, G.; Tylan-Tyler, A.; Briggeman, M.; Tomczyk, M.; Huang, M.; Pekker, D.; Irvin, P.; Lee, H.; Lee, J.-W.; Eom, C.-B.

    Electron systems undergo profound changes in their behavior when constrained to move along a single axis. To date, clean one-dimensional (1D) electron transport has only been observed in carbon-based nanotubes and nanoribbons, and compound semiconductor nanowires. Complex-oxide heterostructures can possess conductive two-dimensional (2D) interfaces with much richer chemistries and properties, e.g., superconductivity, but with mobilities that appear to preclude ballistic transport in 1D. Here we show that nearly ideal 1D electron waveguides exhibiting ballistic transport of electrons and non-superconducting Cooper pairs can be formed at the interface between the two band insulators LaAlO3 and SrTiO3. The electron waveguides possess gate and magnetic-field selectable spin and charge degrees of freedom, and can be tuned to the one-dimensional limit of a single spin-polarized quantum channel. The strong attractive electron-electron interactions enable a new mode of dissipationless transport of electron pairs that is not superconducting. The selectable spin and subband quantum numbers of these electron waveguides may be useful for quantum simulation, quantum informatio We gratefully acknowledge financial support from ONR N00014-15-1-2847 (JL), AFOSR (FA9550-15-1-0334 (CBE) and FA9550-12-1-0057 (JL, CBE)), AOARD FA2386-15-1-4046 (CBE) and NSF (DMR-1104191 (JL), DMR-1124131 (CBE, JL) and DMR-1234096 (CBE)).

  1. Power electronics applied to industrial systems and transports

    CERN Document Server

    Patin, Nicolas

    2015-01-01

    If the operation of electronic components switching scheme to reduce congestion and losses (in power converters in general and switching power supplies in particular), it also generates electromagnetic type of pollution in its immediate environment. Power Electronics for Industry and Transport, Volume 4 is devoted to electromagnetic compatibility. It presents the sources of disturbance and the square wave signal, spectral modeling generic perturbation. Disturbances propagation mechanisms called ""lumped"" by couplings such as a common impedance, a parasitic capacitance or a mutual and ""dis

  2. Time-of-flight electron spectrometer for a broad range of kinetic energies

    Energy Technology Data Exchange (ETDEWEB)

    Kothe, Alexander; Metje, Jan; Wilke, Martin; Moguilevski, Alexandre; Engel, Nicholas; Al-Obaidi, Ruba; Richter, Clemens; Golnak, Ronny; Kiyan, Igor Yu.; Aziz, Emad F. [Joint Ultrafast Dynamics Lab in Solutions and at Interfaces (JULiq), Helmholtz-Zentrum Berlin fuer Materialien und Energie (HZB), Albert-Einstein-Str. 15, 12489 Berlin (Germany) and Freie Universitaet Berlin, Fachbereich Physik, Arnimallee 14, 14195 Berlin (Germany)

    2013-02-15

    A newly constructed time-of-flight electron spectrometer of the magnetic bottle type is characterized for electron detection in a broad range of kinetic energies. The instrument is designed to measure the energy spectra of electrons generated from liquids excited by strong laser fields and photons in the range of extreme ultra violet and soft X-rays. Argon inner shell electrons were recorded to calibrate the spectrometer and investigate its characteristics, such as energy resolution and collection efficiency. Its energy resolution {Delta}E/E of 1.6% allows resolving the Ar 2p spin orbit structure at kinetic energies higher than 100 eV. The collection efficiency is determined and compared to that of the spectrometer in its field-free configuration.

  3. Electronic transport in amorphous phase-change materials

    Energy Technology Data Exchange (ETDEWEB)

    Luckas, Jennifer Maria

    2012-09-14

    Phase change materials combine a pronounced contrast in resistivity and reflectivity between their disordered amorphous and ordered crystalline state with very fast crystallization kinetics. Due to this exceptional combination of properties phase-change materials find broad application in non-volatile optical memories such as CD, DVD or Bluray Disc. Furthermore, this class of materials demonstrates remarkable electrical transport phenomena in their disordered state, which have shown to be crucial for their application in electronic storage devices. The threshold switching phenomenon denotes the sudden decrease in resistivity beyond a critical electrical threshold field. The threshold switching phenomenon facilitates the phase transitions at practical small voltages. Below this threshold the amorphous state resistivity is thermally activated and is observed to increase with time. This effect known as resistance drift seriously hampers the development of multi-level storage devices. Hence, understanding the physical origins of threshold switching and resistance drift phenomena is crucial to improve non-volatile phase-change memories. Even though both phenomena are often attributed to localized defect states in the band gap, the defect state density in amorphous phase-change materials has remained poorly studied. Starting from a brief introduction of the physics of phase-change materials this thesis summarizes the most important models behind electrical switching and resistance drift with the aim to discuss the role of localized defect states. The centerpiece of this thesis is the investigation of defects state densities in different amorphous phase-change materials and electrical switching chalcogenides. On the basis of Modulated Photo Current (MPC) Experiments and Photothermal Deflection Spectroscopy, a sophisticated band model for the disordered phase of the binary phase-change alloy GeTe has been developed. By this direct experimental approach the band-model for a

  4. Transport phenomena and kinetic theory applications to gases, semiconductors, photons, and biological systems

    CERN Document Server

    Gabetta, Ester

    2007-01-01

    The study of kinetic equations related to gases, semiconductors, photons, traffic flow, and other systems has developed rapidly in recent years because of its role as a mathematical tool in many applications in areas such as engineering, meteorology, biology, chemistry, materials science, nanotechnology, and pharmacy. Written by leading specialists in their respective fields, this book presents an overview of recent developments in the field of mathematical kinetic theory with a focus on modeling complex systems, emphasizing both mathematical properties and their physical meaning. The overall presentation covers not only modeling aspects and qualitative analysis of mathematical problems, but also inverse problems, which lead to a detailed assessment of models in connection with their applications, and to computational problems, which lead to an effective link of models to the analysis of real-world systems. "Transport Phenomena and Kinetic Theory" is an excellent self-study reference for graduate students, re...

  5. Calcium ion transport kinetics during dentinogenesis: effects of disrupting odontoblast cellular transport systems.

    Science.gov (United States)

    Lundgren, T; Linde, A

    1992-10-01

    Due to strongly discrepant results in the literature, controversy exists about the timing of the transport of Ca2+ ions to the mineralization front during dentinogenesis and the role of the odontoblasts in this transport. The present study gives evidence, by means of autoradiography as well as by a radiochemical technique, that the transport time for Ca2+ ions into the dentin mineral phase is about 10-15 min in the rat incisor. The results also show that technical factors, such as mode of tracer injection and the use of perfusion fixation, may influence the results more or less strongly. Finally, by disturbing odontoblast microtubules, involved in intracellular transport processes, and by blocking odontoblast calcium uptake channels by nifedipine and neomycin, the Ca2+ ion transport into dentin mineral was found to be strongly impaired. This may be taken as an indication that transcellular calcium transport mechanisms have a role during dentinogenesis.

  6. Field ionization kinetic and electron impact studies of gas phase transition states - The cyclic bromonium ion

    Science.gov (United States)

    Green, M. M.; Giguere, R. J.; Falick, A. M.; Aberth, W.; Burlingame, A. L.

    1978-01-01

    Cis- and trans-isomers of 4-t-butylcyclohexyl bromide were studied to determine the mechanism of cyclic bromonium ion formation. The field ionization kinetic and electron impact data indicate that the formation of the cyclic structure occurs simultaneously with loss of the neutral fragment. The data also show that little or no gas-phase cis-trans isomerization occurs.

  7. Marcus Theory: Thermodynamics CAN Control the Kinetics of Electron Transfer Reactions

    Science.gov (United States)

    Silverstein, Todd P.

    2012-01-01

    Although it is generally true that thermodynamics do not influence kinetics, this is NOT the case for electron transfer reactions in solution. Marcus Theory explains why this is so, using straightforward physical chemical principles such as transition state theory, Arrhenius' Law, and the Franck-Condon Principle. Here the background and…

  8. Electron beam induced electronic transport in alkyl amine-intercalated VOx nanotubes

    NARCIS (Netherlands)

    O'Dwyer, C.; Lavayen, V.; Clavijo Cedeno, C.E.; Sotomayor Torres, C.M.

    2008-01-01

    The electron beam induced electronic transport in primary alkyl amine-intercalated V2O5 nanotubes is investigated where the organic amine molecules are employed as molecular conductive wires to an aminosilanized substrate surface and contacted to Au interdigitated electrode contacts. The results

  9. Photosynthetic electron transport system promotes synthesis of Au-nanoparticles.

    Directory of Open Access Journals (Sweden)

    Nisha Shabnam

    Full Text Available In this communication, a novel, green, efficient and economically viable light mediated protocol for generation of Au-nanoparticles using most vital organelle, chloroplasts, of the plant system is portrayed. Thylakoids/chloroplasts isolated from Potamogeton nodosus (an aquatic plant and Spinacia oleracea (a terrestrial plant turned Au³⁺ solutions purple in presence of light of 600 µmol m⁻² s⁻¹ photon flux density (PFD and the purple coloration intensified with time. UV-Vis spectra of these purple colored solutions showed absorption peak at ∼545 nm which is known to arise due to surface plasmon oscillations specific to Au-nanoparticles. However, thylakoids/chloroplasts did not alter color of Au³⁺ solutions in dark. These results clearly demonstrated that photosynthetic electron transport can reduce Au³⁺ to Au⁰ which nucleate to form Au-nanoparticles in presence of light. Transmission electron microscopic studies revealed that Au-nanoparticles generated by light driven photosynthetic electron transport system of thylakoids/chloroplasts were in range of 5-20 nm. Selected area electron diffraction and powder X-ray diffraction indicated crystalline nature of these nanoparticles. Energy dispersive X-ray confirmed that these nanoparticles were composed of Au. To confirm the potential of light driven photosynthetic electron transport in generation of Au-nanoparticles, thylakoids/chloroplasts were tested for their efficacy to generate Au-nanoparticles in presence of light of PFD ranging from 60 to 600 µmol m⁻² s⁻¹. The capacity of thylakoids/chloroplasts to generate Au-nanoparticles increased remarkably with increase in PFD, which further clearly demonstrated potential of light driven photosynthetic electron transport in reduction of Au³⁺ to Au⁰ to form nanoparticles. The light driven donation of electrons to metal ions by thylakoids/chloroplasts can be exploited for large scale production of nanoparticles.

  10. Role of hot electron transport in scintillators: A theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Huihui [SZU-NUS Collaborative Innovation Center for Optoelectronic Science and Technology, Key Lab. of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Optoelectronic Engineering, Shenzhen Univ. (China); Li, Qi [Physical Sciences Division, IBM TJ Watson Research Center, Yorktown Heights, NY (United States); Department of Computer Science, University of Illinois at Urbana-Champaign, Urbana, IL (United States); Lu, Xinfu; Williams, R.T. [Department of Physics, Wake Forest University, Winston Salem, NC (United States); Qian, Yiyang [College of Engineering and Applied Science, Nanjing University (China); Wu, Yuntao [Scintillation Materials Research Center, University of Tennessee, Knoxville, TN (United States)

    2016-10-15

    Despite recent intensive study on scintillators, several fundamental questions on scintillator properties are still unknown. In this work, we use ab-initio calculations to determine the energy dependent group velocity of the hot electrons from the electronic structures of several typical scintillators. Based on the calculated group velocities and optical phonon frequencies, a Monte-Carlo simulation of hot electron transport in scintillators is carried out to calculate the thermalization time and diffusion range in selected scintillators. Our simulations provide physical insights on a recent trend of improved proportionality and light yield from mixed halide scintillators. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Computation of electron transport and relaxation properties in gases based on improved multi-term approximation of Boltzmann equation

    Science.gov (United States)

    Cai, X. J.; Wang, X. X.; Zou, X. B.; Lu, Z. W.

    2018-01-01

    An understanding of electron kinetics is of importance in various applications of low temperature plasmas. We employ a series of model and real gases to investigate electron transport and relaxation properties based on improved multi-term approximation of the Boltzmann equation. First, a comparison of different methods to calculate the interaction integrals has been carried out; the effects of free parameters, such as vmax, lmax, and the arbitrary temperature Tb, on the convergence of electron transport coefficients are analyzed. Then, the modified attachment model of Ness et al. and SF6 are considered to investigate the effect of attachment on the electron transport properties. The deficiency of the pulsed Townsend technique to measure the electron transport and reaction coefficients in electronegative gases is highlighted when the reduced electric field is small. In order to investigate the effect of external magnetic field on the electron transport properties, Ar plasmas in high power impulse sputtering devices are considered. In the end, the electron relaxation properties of the Reid model under the influence of electric and magnetic fields are demonstrated.

  12. Magnetoelectronic transport of the two-dimensional electron gas in ...

    Indian Academy of Sciences (India)

    Abstract. Hall mobility and magnetoresistance coefficient for the two-dimensional (2D) electron transport parallel to the heterojunction interfaces in a single quantum well of. CdSe are calculated with a numerical iterative technique in the framework of Fermi–Dirac statistics. Lattice scatterings due to polar-mode longitudinal ...

  13. Thermal and electronic transport characteristics of highly stretchable graphene kirigami.

    Science.gov (United States)

    Mortazavi, Bohayra; Lherbier, Aurélien; Fan, Zheyong; Harju, Ari; Rabczuk, Timon; Charlier, Jean-Christophe

    2017-10-20

    For centuries, cutting and folding papers with special patterns have been used to build beautiful, flexible and complex three-dimensional structures. Inspired by the old idea of kirigami (paper cutting), and the outstanding properties of graphene, recently graphene kirigami structures were fabricated to enhance the stretchability of graphene. However, the possibility of further tuning the electronic and thermal transport along the 2D kirigami structures has remained original to investigate. We therefore performed extensive atomistic simulations to explore the electronic, heat and load transfer along various graphene kirigami structures. The mechanical response and thermal transport were explored using classical molecular dynamics simulations. We then used a real-space Kubo-Greenwood formalism to investigate the charge transport characteristics in graphene kirigami. Our results reveal that graphene kirigami structures present highly anisotropic thermal and electrical transport. Interestingly, we show the possibility of tuning the thermal conductivity of graphene by four orders of magnitude. Moreover, we discuss the engineering of kirigami patterns to further enhance their stretchability by more than 10 times as compared with pristine graphene. Our study not only provides a general understanding concerning the engineering of electronic, thermal and mechanical response of graphene, but more importantly can also be useful to guide future studies with respect to the synthesis of other 2D material kirigami structures, to reach highly flexible and stretchable nanostructures with finely tunable electronic and thermal properties.

  14. Electron transport and coherence in semiconductor quantum dots and rings

    NARCIS (Netherlands)

    Van der Wiel, W.G.

    2002-01-01

    A number of experiments on electron transport and coherence in semiconductor vertical and lateral quantum dots and semiconductor rings is described. Quantum dots are often referred to as "artificial atoms", because of their similarities with real atoms. Examples of such atom-like properties that

  15. Maternal-fetal transport kinetics of manganese in perfused human placental lobule in vitro.

    Science.gov (United States)

    Nandakumaran, Moorkath; Al-Sannan, Baydaa; Al-Sarraf, Hameed; Al-Shammari, Majed

    2016-01-01

    There have been no detailed reports relating to maternal-fetal transport kinetics of manganese, an essential trace element in the human pregnancies, and hence we have attempted to study the transport kinetics of this trace element in the human placenta in vitro. Human placentae from normal uncomplicated pregnancies were collected postpartum. Manganese chloride solution (GFS Chem Inc., Columbus, OH), 10 times the physiological concentrations, along with antipyrine (Sigma Chem Co., St. Louis, MO) as reference marker were then injected as a single bolus (100 µl) into the maternal arterial circulation of perfused placental lobules and perfusate samples collected from maternal and fetal circulations over a period of five minutes. National Culture and Tissue Collection medium, diluted with Earle's buffered salt solution was used as the perfusate and serial perfusate samples from fetal venous perfusate collected for a period of 30 min. Concentration of manganese in perfusate samples was assessed by atomic absorption spectrophotometry, while that of antipyrine was assessed by spectrophotometry. Transport kinetics of substances studied were computed using established permeation parameters. Differential transport rates of manganese and antipyrine in 12 perfusions differed significantly for 25.75, 90% efflux fractions (ANOVA test, p manganese averaged 54.9% of bolus dose in 12 perfusions, whereas that of antipyrine averaged 89% of bolus dose, representing 61.80% of reference marker TF. The difference observed in TF values of manganese and antipyrine was statistically significant (Student's t-test, p manganese compared to reference marker were significantly different (ANOVA test, p manganese in human placenta in vitro. Considering the restricted transfer of this essential trace element despite its small molecular weight, we hypothesize possibility of active transport of manganese across the human placental membrane. Further studies relating to manganese placental

  16. Electronic repository and standardization of processes and electronic documents in transport

    Directory of Open Access Journals (Sweden)

    Tomasz DĘBICKI

    2007-01-01

    Full Text Available The article refers to the idea of the use of electronic repository to store standardised scheme of processes between a Logistics Service Provider and its business partners. Application of repository for automatic or semi-automatic configuration of interoperability in electronic data interchange between information systems of differentcompanies based on transport (road, rail, sea and combined related processes. Standardisation includes processes, scheme of cooperation and related to them, electronic messages.

  17. Pair tunneling resonance in the single-electron transport regime.

    Science.gov (United States)

    Leijnse, M; Wegewijs, M R; Hettler, M H

    2009-10-09

    We predict a new electron pair tunneling (PT) resonance in nonlinear transport through quantum dots with positive charging energies exceeding the broadening due to thermal and quantum fluctuations. The PT resonance shows up in the single-electron transport (SET) regime as a peak in the derivative of the nonlinear conductance, d(2)I/dV(2), when the electrochemical potential of one electrode matches the average of two subsequent charge addition energies. For a single level quantum dot (Anderson model) we find the analytic peak shape and the dependence on temperature, magnetic field, and junction asymmetry and compare with the inelastic cotunneling peak which is of the same order of magnitude. In experimental transport spectroscopy the PT resonance may be mistaken for a weak SET resonance judging only by the voltage dependence of its position. Our results provide essential clues to avoid such erroneous interpretation.

  18. Role of reaction kinetics and mass transport in glucose sensing with nanopillar array electrodes

    OpenAIRE

    Rao Yeswanth L; Kim Euihyeon; Yang Xiaoling; Anandan Venkataramani; Zhang Guigen

    2007-01-01

    Abstract The use of nanopillar array electrodes (NAEs) for biosensor applications was explored using a combined experimental and simulation approach to characterize the role of reaction kinetics and mass transport in glucose detection with NAEs. Thin gold electrodes with arrays of vertically standing gold nanopillars were fabricated and their amperometric current responses were measured under bare and functionalized conditions. Results show that the sensing performances of both the bare and f...

  19. Kinetic simulations of ladder climbing by electron plasma waves

    Science.gov (United States)

    Hara, Kentaro; Barth, Ido; Kaminski, Erez; Dodin, I. Y.; Fisch, N. J.

    2017-05-01

    The energy of plasma waves can be moved up and down the spectrum using chirped modulations of plasma parameters, which can be driven by external fields. Depending on whether the wave spectrum is discrete (bounded plasma) or continuous (boundless plasma), this phenomenon is called ladder climbing (LC) or autoresonant acceleration of plasmons. It was first proposed by Barth et al. [Phys. Rev. Lett. 115, 075001 (2015), 10.1103/PhysRevLett.115.075001] based on a linear fluid model. In this paper, LC of electron plasma waves is investigated using fully nonlinear Vlasov-Poisson simulations of collisionless bounded plasma. It is shown that, in agreement with the basic theory, plasmons survive substantial transformations of the spectrum and are destroyed only when their wave numbers become large enough to trigger Landau damping. Since nonlinear effects decrease the damping rate, LC is even more efficient when practiced on structures like quasiperiodic Bernstein-Greene-Kruskal (BGK) waves rather than on Langmuir waves per se.

  20. Human ceruloplasmin. Intramolecular electron transfer kinetics and equilibration

    DEFF Research Database (Denmark)

    Farver, O; Bendahl, L; Skov, L K

    1999-01-01

    and indeed electron equilibration between T1A and the trinuclear copper center in the domain 1-6 interface takes place with a rate constant of 2.9 +/- 0.6 s(-1). The equilibrium constant is 0.17. Following reduction of T1A Cu(II), another ET process takes place between RSSR(-) and T1B copper(II) of domain 4......) copper centers, the following is proposed. The first T1 copper(II) ion to be reduced in ceruloplasmin is the blue copper center of domain 6 (T1A) by ET from RSSR(-) of domain 5. The rate constant is 28 +/- 2 s(-1) at 279 K and pH 7.0. T1A is in close covalent contact with the type 3 copper pair...... with a rate constant of 3.9 +/- 0.8. No reoxidation of T1B Cu(I) could be resolved. It appears that the third T1 center (T1C of domain 2) is not participating in intramolecular ET, as it seems to be in a reduced state in the resting enzyme....

  1. Kinetic Features Observed in the Solar Wind Electron Distributions

    Science.gov (United States)

    Pierrard, V.; Lazar, M.; Poedts, S.

    2016-12-01

    More than 120 000 of velocity distributions measured by Helios, Cluster and Ulysses in the ecliptic have been analyzed within an extended range of heliocentric distances from 0.3 to over 4 AU. The velocity distribution of electrons reveal a dual structure with a thermal (Maxwellian) core and a suprathermal (Kappa) halo. A detailed observational analysis of these two components provides estimations of their temperatures and temperature anisotropies, and we decode any potential interdependence that their properties may indicate. The core temperature is found to decrease with the radial distance, while the halo temperature slightly increases, clarifying an apparent contradiction in previous observational analysis and providing valuable clues about the temperature of the Kappa-distributed populations. For low values of the power-index kappa, these two components manifest a clear tendency to deviate from isotropy in the same direction, that seems to confirm the existence of mechanisms with similar effects on both components, e.g., the solar wind expansion, or the particle heating by the fluctuations. However, the existence of plasma states with anti-correlated anisotropies of the core and halo populations and the increase of their number for high values of the power-index kappa suggest a dynamic interplay of these components, mediated most probably by the anisotropy-driven instabilities. Estimating the temperature of the solar wind particles and their anisotropies is particularly important for understanding the origin of these deviations from thermal equilibrium as well as their effects.

  2. Power electronics for renewable energy systems, transportation and industrial applications

    CERN Document Server

    Malinowski, Mariusz; Al-Haddad, Kamal

    2014-01-01

    Power Electronics for Renewable Energy, Transportation, and Industrial Applications combines state-of-the-art global expertise to present the latest research on power electronics and its application in transportation, renewable energy, and different industrial applications. This timely book aims to facilitate the implementation of cutting-edge techniques to design problems offering innovative solutions to the growing power demands in small- and large-size industries. Application areas in the book range from smart homes and electric and plug-in hybrid electrical vehicles (PHEVs), to smart distribution and intelligence operation centers where significant energy efficiency improvements can be achieved through the appropriate use and design of power electronics and energy storage devices.

  3. Advanced electronic displays and their potential in future transport aircraft

    Science.gov (United States)

    Hatfield, J. J.

    1981-01-01

    It is pointed out that electronic displays represent one of the keys to continued integration and improvement of the effectiveness of avionic systems in future transport aircraft. An employment of modern electronic display media and generation has become vital in connection with the increases in modes and functions of modern aircraft. Requirements for electronic systems of future transports are examined, and a description is provided of the tools which are available for cockpit integration, taking into account trends in information processing and presentation, trends in integrated display devices, and trends concerning input/output devices. Developments related to display media, display generation, and I/O devices are considered, giving attention to a comparison of CRT and flat-panel display technology, advanced HUD technology and multifunction controls. Integrated display formats are discussed along with integrated systems and cockpit configurations.

  4. Electron kinetic effects in atmosphere breakdown by an intense electromagnetic pulse.

    Science.gov (United States)

    Solovyev, A A; Terekhin, V A; Tikhonchuk, V T; Altgilbers, L L

    1999-12-01

    A physical model is proposed for description of electron kinetics driven by a powerful electromagnetic pulse in the Earth's atmosphere. The model is based on a numerical solution to the Boltzmann kinetic equation for two groups of electrons. Slow electrons (with energies below a few keV) are described in a two-term approximation assuming a weak anisotropy of the electron distribution function. Fast electrons (with energies above a few keV) are described by a modified macroparticle method, taking into account the electron acceleration in the electric field, energy losses in the continuous deceleration approximation, and the multiple pitch angle scattering. The model is applied to a problem of the electric discharge in a nitrogen, which is preionized by an external gamma-ray source. It is shown that the runaway electrons have an important effect on the energy distribution of free electrons, and on the avalanche ionization rate. This mechanism might explain the observation of multiple lightning discharges observed in the Ivy-Mike thermonuclear test in the early 1950's.

  5. 2D particle-in-cell simulations of the electron drift instability and associated anomalous electron transport in Hall-effect thrusters

    Science.gov (United States)

    Croes, Vivien; Lafleur, Trevor; Bonaventura, Zdeněk; Bourdon, Anne; Chabert, Pascal

    2017-03-01

    In this work we study the electron drift instability in Hall-effect thrusters (HETs) using a 2D electrostatic particle-in-cell (PIC) simulation. The simulation is configured with a Cartesian coordinate system modeling the radial-azimuthal (r{--}θ ) plane for large radius thrusters. A magnetic field, {{B}}0, is aligned along the Oy axis (r direction), a constant applied electric field, {{E}}0, along the Oz axis (perpendicular to the simulation plane), and the {{E}}0× {{B}}0 direction is along the Ox axis (θ direction). Although electron transport can be well described by electron-neutral collisions for low plasma densities, at high densities (similar to those in typical HETs), a strong instability is observed that enhances the electron cross-field mobility; even in the absence of electron-neutral collisions. The instability generates high frequency (of the order of MHz) and short wavelength (of the order of mm) fluctuations in both the azimuthal electric field and charged particle densities, and propagates in the {{E}}0× {{B}}0 direction with a velocity close to the ion sound speed. The correlation between the electric field and density fluctuations (which leads to an enhanced electron-ion friction force) is investigated and shown to be directly responsible for the increased electron transport. Results are compared with a recent kinetic theory, showing good agreement with the instability properties and electron transport.

  6. Ultrafast electron transport in graphene and magnetic nanostructures

    Science.gov (United States)

    Turchinovich, Dmitry

    2016-03-01

    Ultrafast terahertz spectroscopy is an ideal tool for observation of dynamics of charge, lattice and spin in solids on the most elementary timescale: in the regime ωτ ~ 1, where ω is the electromagnetic wave oscillation frequency, and τ is the characteristic timescale at which the fundamental phenomena in the three subsystems comprising the solid occur. In this paper two case studies will be discussed. (i) Ultrafast electron transport in graphene. We will show, that the free-carrier conductivity of graphene in arbitrary ultrafast, (sub-)picosecond electric fields is defined by the thermodynamic balance maintained within the electronic structure of graphene acting as thermalized electron gas. Within this simple thermodynamic picture, the electron gas quasi-instantaneously increases its temperature by absorbing the energy of driving ultrafast electric field, and at the same time cools down via a time-retarded, few picosecond-long process of phonon emission. The asymmetry in electron heating and cooling dynamics leads to heat accumulation in the electron population of graphene, concomitantly lowering the chemical potential for hotter electrons, and thereby reducing the intraband conductivity of graphene - an effect crucially important for understanding of ultrafast graphene transistors and photodetectors. (ii) We will also discuss the fundamental observation of spin-controlled electron conduction of Fermilevel electrons in ferromagnetic metals, and will directly quantify the Mott picture of conduction in ferromagnets - the effect directly employed in modern magnetic sensor technologies such as giant magnetoresistance.

  7. Electrogenic Binding of Intracellular Cations Defines a Kinetic Decision Point in the Transport Cycle of the Human Serotonin Transporter.

    Science.gov (United States)

    Hasenhuetl, Peter S; Freissmuth, Michael; Sandtner, Walter

    2016-12-09

    The plasmalemmal monoamine transporters clear the extracellular space from their cognate substrates and sustain cellular monoamine stores even during neuronal activity. In some instances, however, the transporters enter a substrate-exchange mode, which results in release of intracellular substrate. Understanding what determines the switch between these two transport modes demands time-resolved measurements of intracellular (co-)substrate binding and release. Here, we report an electrophysiological investigation of intracellular solute-binding to the human serotonin transporter (SERT) expressed in HEK-293 cells. We measured currents induced by rapid application of serotonin employing varying intracellular (co-)substrate concentrations and interpreted the data using kinetic modeling. Our measurements revealed that the induction of the substrate-exchange mode depends on both voltage and intracellular Na(+) concentrations because intracellular Na(+) release occurs before serotonin release and is highly electrogenic. This voltage dependence was blunted by electrogenic binding of intracellular K(+) and, notably, also H(+) In addition, our data suggest that Cl(-) is bound to SERT during the entire catalytic cycle. Our experiments, therefore, document an essential role of electrogenic binding of K(+) or of H(+) to the inward-facing conformation of SERT in (i) cancelling out the electrogenic nature of intracellular Na(+) release and (ii) in selecting the forward-transport over the substrate-exchange mode. Finally, the kinetics of intracellular Na(+) release and K(+) (or H(+)) binding result in a voltage-independent rate-limiting step where SERT may return to the outward-facing state in a KCl- or HCl-bound form. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  8. A kinetic sensitivity analysis for the SO2 and NOx removal using the electron beam technology

    Science.gov (United States)

    Zwolińska, Ewa; Gogulancea, Valentina; Sun, Yongxia; Lavric, Vasile; Chmielewski, Andrzej

    2017-09-01

    The mathematical modeling of the phenomena taking place during the electron beam flue gas treatment is a complex endeavor due to the different time scales of the processes occurring as accelerated electrons are bombarding the flue gas. The paper presents a complex kinetic model for these gas phase interactions, consisting of 1034 chemical reactions with the participation of 115 reactive species. The mathematical model couples the complex gas phase kinetics with a liquid phase kinetic model, taking into account the nucleation and condensation phenomena occurring due to the presence of sulfuric acid. The modeling results for both coupled and uncoupled gas phase kinetics are validated against a set of literature experimental data with satisfactory outcome. The work aims to identify the most important chemical reactions influencing the pollutants removal, proposing a sensitivity analysis using the concept of generated entropy. To the best of the authors' knowledge a sensitivity analysis of this extent has not been performed for the electron beam flue gas treatment. The results of this analysis emphasize the link between the removal efficiencies of NOx and SO2, the importance of hydroxyl radicals and can aid in future model reduction efforts.

  9. The Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks

    CERN Document Server

    Yao, Kun

    2015-01-01

    We demonstrate a convolutional neural network trained to reproduce the Kohn-Sham kinetic energy of hydrocarbons from electron density. The output of the network is used as a non-local correction to the conventional local and semi-local kinetic functionals. We show that this approximation qualitatively reproduces Kohn-Sham potential energy surfaces when used with conventional exchange correlation functionals. Numerical noise inherited from the non-linearity of the neural network is identified as the major challenge for the model. Finally we examine the features in the density learned by the neural network to anticipate the prospects of generalizing these models.

  10. Kinetic Cascade in Solar-wind Turbulence: 3D3V Hybrid-kinetic Simulations with Electron Inertia

    Science.gov (United States)

    Cerri, Silvio Sergio; Servidio, Sergio; Califano, Francesco

    2017-09-01

    Understanding the nature of the turbulent fluctuations below the ion gyroradius in solar-wind (SW) turbulence is a great challenge. Recent studies have been mostly in favor of kinetic Alfvén wave (KAW)-type fluctuations, but other kinds of fluctuations with characteristics typical of magnetosonic, whistler, and ion-Bernstein modes could also play a role depending on the plasma parameters. Here, we investigate the properties of the subproton-scale cascade with high-resolution hybrid-kinetic simulations of freely decaying turbulence in 3D3V phase space, including electron inertia effects. Two proton plasma beta are explored: the “intermediate” β p = 1 and “low” β p = 0.2 regimes, both typically observed in the SW and corona. The magnetic energy spectum exhibits {k}\\perp -8/3 and {k}\\parallel -7/2 power laws at β p = 1, while they are slightly steeper at β p = 0.2. Nevertheless, both regimes develop a spectral anisotropy consistent with {k}\\parallel ˜ {k}\\perp 2/3 at {k}\\perp {ρ }p> 1 and pronounced small-scale intermittency. In this context, we find that the kinetic-scale cascade is dominated by KAW-like fluctuations at β p = 1, whereas the low-β case presents a more complex scenario suggesting the simultaneous presence of different types of fluctuations. In both regimes, however, a possible role of the ion-Bernstein-type fluctuations at the smallest scales cannot be excluded.

  11. Modelling of electron transport and of sawtooth activity in tokamaks

    Energy Technology Data Exchange (ETDEWEB)

    Angioni, C

    2001-10-01

    Transport phenomena in tokamak plasmas strongly limit the particle and energy confinement and represent a crucial obstacle to controlled thermonuclear fusion. Within the vast framework of transport studies, three topics have been tackled in the present thesis: first, the computation of neoclassical transport coefficients for general axisymmetric equilibria and arbitrary collisionality regime; second, the analysis of the electron temperature behaviour and transport modelling of plasma discharges in the Tokamak a configuration Variable (TCV); third, the modelling and simulation of the sawtooth activity with different plasma heating conditions. The work dedicated to neoclassical theory has been undertaken in order to first analytically identify a set of equations suited for implementation in existing Fokker-Planck codes. Modifications of these codes enabled us to compute the neoclassical transport coefficients considering different realistic magnetic equilibrium configurations and covering a large range of variation of three key parameters: aspect ratio, collisionality, and effective charge number. A comparison of the numerical results with an analytical limit has permitted the identification of two expressions for the trapped particle fraction, capable of encapsulating the geometrical effects and thus enabling each transport coefficient to be fitted with a single analytical function. This has allowed us to provide simple analytical formulae for all the neoclassical transport coefficients valid for arbitrary aspect ratio and collisionality in general realistic geometry. This work is particularly useful for a correct evaluation of the neoclassical contribution in tokamak scenarios with large bootstrap cur- rent fraction, or improved confinement regimes with low anomalous transport and for the determination of the plasma current density profile, since the plasma conductivity is usually assumed neoclassical. These results have been included in the plasma transport code

  12. Mechanisms of electron transport and recombination in ZnO nanostructures for dye-sensitized solar cells.

    Science.gov (United States)

    Vega-Poot, Alberto G; Macías-Montero, Manuel; Idígoras, Jesus; Borrás, Ana; Barranco, Angel; Gonzalez-Elipe, Agustín R; Lizama-Tzec, Francisco I; Oskam, Gerko; Anta, Juan A

    2014-04-14

    ZnO is an attractive material for applications in dye-sensitized solar cells and related devices. This material has excellent electron-transport properties in the bulk but its electron diffusion coefficient is much smaller in mesoporous films. In this work the electron-transport properties of two different kinds of dye-sensitized ZnO nanostructures are investigated by small-perturbation electrochemical techniques. For nanoparticulate ZnO photoanodes prepared via a wet-chemistry technique, the diffusion coefficient is found to reproduce the typical behavior predicted by the multiple-trapping and the hopping models, with an exponential increase with respect to the applied bias. In contrast, in ZnO nanostructured thin films of controlled texture and crystallinity prepared via a plasma chemical vapor deposition method, the diffusion coefficient is found to be independent of the electrochemical bias. This observation suggests a different transport mechanism not controlled by trapping and electron accumulation. In spite of the quite different transport features, the recombination kinetics, the electron-collection efficiency and the photoconversion efficiency are very similar for both kinds of photoanodes, an observation that indicates that surface properties rather than electron transport is the main efficiency-determining factor in solar cells based on ZnO nanostructured photoanodes. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Extracellular Electron Transport (EET): Metal Cycling in Extreme Places

    Science.gov (United States)

    Nealson, K. H.

    2014-12-01

    Extracellular electron transport, or EET, is the process whereby bacteria either donate electrons to an electron acceptor (usually insoluble), or take up electrons from and electron donor (usually insoluble) that is located outside the cell. Iron cycling is inherently linked to EET, as both reduced iron (electron donors), and oxidized iron (electron acceptors) can be found as insoluble minerals, and require specialized molecular machines to accomplish these extracellular geobiological reactions. Bacteria in the group Shewanella are able to catalyze EET in both directions, and are involved with a number of different iron conversions, but are not good role models for extreme conditions - to our knowledge there are no shewanellae that are tolerant to extremes of temperature or pH, the two usual. This being said, when cells are energy starved via limitation for electron acceptors, they respond by turning on the system(s) for EET. Thus, in this presentation the known mechanism(s) of EET will be discussed, along with recent findings and reports of EET-capable organisms from a variety of extreme environments. From these data, I put forward the hypothesis that there are many microbes (many of them from extreme environments) that will be resistant to cultivation by "standard microbiological methods", yet lend themselves well to cultivation via electrochemical methods.

  14. Electronic transport in benzodifuran single-molecule transistors

    Science.gov (United States)

    Xiang, An; Li, Hui; Chen, Songjie; Liu, Shi-Xia; Decurtins, Silvio; Bai, Meilin; Hou, Shimin; Liao, Jianhui

    2015-04-01

    Benzodifuran (BDF) single-molecule transistors have been fabricated in electromigration break junctions for electronic measurements. The inelastic electron tunneling spectrum validates that the BDF molecule is the pathway of charge transport. The gating effect is analyzed in the framework of a single-level tunneling model combined with transition voltage spectroscopy (TVS). The analysis reveals that the highest occupied molecular orbital (HOMO) of the thiol-terminated BDF molecule dominates the charge transport through Au-BDF-Au junctions. Moreover, the energy shift of the HOMO caused by the gate voltage is the main reason for conductance modulation. In contrast, the electronic coupling between the BDF molecule and the gold electrodes, which significantly affects the low-bias junction conductance, is only influenced slightly by the applied gate voltage. These findings will help in the design of future molecular electronic devices.Benzodifuran (BDF) single-molecule transistors have been fabricated in electromigration break junctions for electronic measurements. The inelastic electron tunneling spectrum validates that the BDF molecule is the pathway of charge transport. The gating effect is analyzed in the framework of a single-level tunneling model combined with transition voltage spectroscopy (TVS). The analysis reveals that the highest occupied molecular orbital (HOMO) of the thiol-terminated BDF molecule dominates the charge transport through Au-BDF-Au junctions. Moreover, the energy shift of the HOMO caused by the gate voltage is the main reason for conductance modulation. In contrast, the electronic coupling between the BDF molecule and the gold electrodes, which significantly affects the low-bias junction conductance, is only influenced slightly by the applied gate voltage. These findings will help in the design of future molecular electronic devices. Electronic supplementary information (ESI) available: The fabrication procedure for BDF single

  15. A kinetic Monte Carlo approach to study fluid transport in pore networks

    Science.gov (United States)

    Apostolopoulou, M.; Day, R.; Hull, R.; Stamatakis, M.; Striolo, A.

    2017-10-01

    The mechanism of fluid migration in porous networks continues to attract great interest. Darcy's law (phenomenological continuum theory), which is often used to describe macroscopically fluid flow through a porous material, is thought to fail in nano-channels. Transport through heterogeneous and anisotropic systems, characterized by a broad distribution of pores, occurs via a contribution of different transport mechanisms, all of which need to be accounted for. The situation is likely more complicated when immiscible fluid mixtures are present. To generalize the study of fluid transport through a porous network, we developed a stochastic kinetic Monte Carlo (KMC) model. In our lattice model, the pore network is represented as a set of connected finite volumes (voxels), and transport is simulated as a random walk of molecules, which "hop" from voxel to voxel. We simulated fluid transport along an effectively 1D pore and we compared the results to those expected by solving analytically the diffusion equation. The KMC model was then implemented to quantify the transport of methane through hydrated micropores, in which case atomistic molecular dynamic simulation results were reproduced. The model was then used to study flow through pore networks, where it was able to quantify the effect of the pore length and the effect of the network's connectivity. The results are consistent with experiments but also provide additional physical insights. Extension of the model will be useful to better understand fluid transport in shale rocks.

  16. Kinetics of Transferrin and Transferrin-Receptor during Iron Transport through Blood Brain Barrier

    Science.gov (United States)

    Khan, Aminul; Liu, Jin; Dutta, Prashanta

    2017-11-01

    Transferrin and its receptors play an important role during the uptake and transcytosis of iron by blood brain barrier (BBB) endothelial cells to maintain iron homeostasis in BBB endothelium and brain. In the blood side of BBB, ferric iron binds with the apo-transferrin to form holo-transferrin which enters the endothelial cell via transferrin receptor mediated endocytosis. Depending on the initial concentration of iron inside the cell endocytosed holo-transferrin can either be acidified in the endosome or exocytosed through the basolateral membrane. Acidification of holo-transferrin in the endosome releases ferrous irons which may either be stored and used by the cell or transported into brain side. Exocytosis of the holo-transferrin through basolateral membrane leads to transport of iron bound to transferrin into brain side. In this work, kinetics of internalization, recycling and exocytosis of transferrin and its receptors are modeled by laws of mass action during iron transport in BBB endothelial cell. Kinetic parameters for the model are determined by least square analysis. Our results suggest that the cell's initial iron content determines the extent of the two possible iron transport pathways, which will be presented in this talk Research reported in this publication was supported by the National Institute of General Medical Sciences of the National Institutes of Health under Award Number R01GM122081.

  17. Semiclassical electronic transport in MnAs thin films

    Energy Technology Data Exchange (ETDEWEB)

    Helman, C. [Dpto de Fisica, ' Juan Jose Giambiagi' , Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Unidad de Actividad Fisica, Centro Atomico Constituyentes, Comision Nacional de Energia Atomica, Buenos Aires (Argentina)], E-mail: helman@tandar.cnea.gov.ar; Milano, J.; Steren, L. [Departamento de Fisica, Centro Atomico Bariloche, Comision Nacional de Energia Atomica, S.C. Bariloche (Argentina); Llois, A.M. [Dpto de Fisica, ' Juan Jose Giambiagi' , Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Unidad de Actividad Fisica, Centro Atomico Constituyentes, Comision Nacional de Energia Atomica, Buenos Aires (Argentina)

    2008-07-15

    Magneto-transport experiments have been recently performed on MnAs thin films. Hall effect and transverse magnetoresistance measurements have shown interesting and, until now, unknown results. For instance, the transverse magnetoresistance shows no saturation in the presence of very high magnetic fields. In order to understand the contribution of the electronic band structure to the non-saturating magnetoresistance, we perform ab initio calculations, using the Wien2K code and analyze the magneto-transport properties within the semiclassical approximation. We show that non-saturation may be due to the presence of open orbits on the majority Fermi surface.

  18. Europium Effect on the Electron Transport in Graphene Ribbons

    Energy Technology Data Exchange (ETDEWEB)

    Bobadilla, Alfredo D.; Ocola, Leonidas E.; Sumant, Anirudha V.; Kaminski, Michael; Kumar, Narendra; Seminario, Jorge M.

    2015-10-01

    We report in this complementary theoretical-experimental work the effect of gating on the election transport of grapheme ribbons when exposed to very low concentration of europium in an aqueous solution. We find a direct correlation between the level of concentration of europium ions in the solvent and the change in electron transport in graphene, observing a change of up to 3 orders of magnitude at the lowest level of concentration tested (0.1 mM), suggesting a possibility that graphene ribbons can be used for detecting very low concentrations of europium in liquid solutions.

  19. Electronic transport across metal-graphene edge contact

    Science.gov (United States)

    Gong, Cheng; Zhang, Chenxi; Oh, Young Jun; Wang, Weichao; Lee, Geunsik; Shan, Bin; Wallace, Robert M.; Cho, Kyeongjae

    2017-06-01

    The electronic transport across metal-graphene edge-contact structures is studied by first principles methods. Unusual double-dip transmission as a function of Fermi level is found for a Pd electrode over varying grapheme lengths. Interface metal-carbon hybridization is shown to introduce random distribution of π-orbital local density of states at different carbon sites leading to transmission suppression. For a Ti electrode, two dips are merged into one with a ~0.2 eV transport gap opening. Our work sheds light on the origin of intrinsic contact resistance at metal-graphene edge contact.

  20. Kinetic modeling of pH-dependent antimony (V) sorption and transport in iron oxide-coated sand.

    Science.gov (United States)

    Cai, Yongbing; Li, Lulu; Zhang, Hua

    2015-11-01

    Understanding the mechanisms and kinetics controlling the retention and transport of antimony (Sb) is prerequisite for evaluating the risk of groundwater contamination by the toxic element. In this study, kinetic batch and saturated miscible displacement experiments were performed to investigate effects of protonation-deprotonation reactions on sorption-desorption and transport of Sb(V) in iron oxide-coated sand (IOCS). Results clearly demonstrated that Sb(V) sorption was highly nonlinear and time dependent, where both sorption capacity and kinetic rates decreased with increasing solution pH. Breakthrough curves (BTCs) obtained at different solution pH exhibited that mobility of Sb(V) were higher under neutral to alkaline condition than under acidic condition. Because of the nonlinear and non-equilibrium nature of Sb(V) retention and transport, multi-reaction models (MRM) with equilibrium and kinetic sorption expressions were utilized successfully to simulate the experiment data. Equilibrium distribution coefficient (Ke) and reversible kinetic retention parameters (k1 and k2) of both kinetic sorption and transport experiment showed marked decrease as pH increased from 4.0 to 7.5. Surface complexation is suggested as the dominant mechanism for the observed pH-dependent phenomena, which need to be incorporated into the kinetic models to accurately simulate the reactive transport of Sb(V) in vadose zone and aquifers. Copyright © 2015. Published by Elsevier Ltd.

  1. Fabrication and electronic transport studies of single nanocrystal systems

    Energy Technology Data Exchange (ETDEWEB)

    Klein, David Louis [Univ. of California, Berkeley, CA (United States). Dept. of Physics

    1997-05-01

    Semiconductor and metallic nanocrystals exhibit interesting electronic transport behavior as a result of electrostatic and quantum mechanical confinement effects. These effects can be studied to learn about the nature of electronic states in these systems. This thesis describes several techniques for the electronic study of nanocrystals. The primary focus is the development of novel methods to attach leads to prefabricated nanocrystals. This is because, while nanocrystals can be readily synthesized from a variety of materials with excellent size control, means to make electrical contact to these nanocrystals are limited. The first approach that will be described uses scanning probe microscopy to first image and then electrically probe surfaces. It is found that electronic investigations of nanocrystals by this technique are complicated by tip-sample interactions and environmental factors such as salvation and capillary forces. Next, an atomic force microscope technique for the catalytic patterning of the surface of a self assembled monolayer is described. In principle, this nano-fabrication technique can be used to create electronic devices which are based upon complex arrangements of nanocrystals. Finally, the fabrication and electrical characterization of a nanocrystal-based single electron transistor is presented. This device is fabricated using a hybrid scheme which combines electron beam lithography and wet chemistry to bind single nanocrystals in tunneling contact between closely spaced metallic leads. In these devices, both Au and CdSe nanocrystals show Coulomb blockade effects with characteristic energies of several tens of meV. Additional structure is seen the transport behavior of CdSe nanocrystals as a result of its electronic structure.

  2. Electron Bifurcation: Thermodynamics and Kinetics of Two-Electron Brokering in Biological Redox Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Peng; Yuly, Jonathon L.; Lubner, Carolyn E. [National Renewable Energy Laboratory, Golden, Colorado 80401, United States; Mulder, David W. [National Renewable Energy Laboratory, Golden, Colorado 80401, United States; King, Paul W. [National Renewable Energy Laboratory, Golden, Colorado 80401, United States; Peters, John W. [Institute; Beratan, David N. [Department

    2017-08-23

    How can proteins drive two electrons from a redox active donor onto two acceptors at very different potentials and distances? And how can this transaction be conducted without dissipating very much energy or violating the laws of thermodynamics? Nature appears to have addressed these challenges by coupling thermodynamically uphill and downhill electron transfer reactions, using two-electron donor cofactors that have very different potentials for the removal of the first and second electron. Although electron bifurcation is carried out with near perfection from the standpoint of energy conservation and electron delivery yields, it is a biological energy transduction paradigm that has only come into focus recently. This Account provides an exegesis of the biophysical principles that underpin electron bifurcation.

  3. Electronic transport properties of graphene doped by gallium

    Science.gov (United States)

    Mach, J.; Procházka, P.; Bartošík, M.; Nezval, D.; Piastek, J.; Hulva, J.; Švarc, V.; Konečný, M.; Kormoš, L.; Šikola, T.

    2017-10-01

    In this work we present the effect of low dose gallium (Ga) deposition (graphene grown by chemical vapor deposition. In situ graphene transport measurements performed with a graphene field-effect transistor structure show that at low Ga coverages a graphene layer tends to be strongly n-doped with an efficiency of 0.64 electrons per one Ga atom, while the further deposition and Ga cluster formation results in removing electrons from graphene (less n-doping). The experimental results are supported by the density functional theory calculations and explained as a consequence of distinct interaction between graphene and Ga atoms in case of individual atoms, layers, or clusters.

  4. Power electronics applied to industrial systems and transports

    CERN Document Server

    Patin, Nicolas

    2015-01-01

    This book provides a comprehensive overview of power electronic converters (DC / DC, DC / AC, AC / DC and AC / AC) conventionally used in industrial and transportation applications, specifically for the supply of electric machines with variable speed drop off window. From the perspective of design and sizing, this book presents the different functions encountered in a modular way for power electronics.Power Converters and Their Control details less traditional topics such as matrix converters and multilevel converters. This book also features a case study design of an industrial controller, wh

  5. Power electronics applied to industrial systems and transports

    CERN Document Server

    Patin, Nicolas

    2015-01-01

    Some power electronic converters are specifically designed to power equipment under a smoothed DC voltage. Therefore, the filtering part necessarily involves the use of auxiliary passive components (inductors and capacitors). This book deals with technical aspects such as classical separation between isolated and non-isolated power supplies, and soft switching through a special converter. It addresses the problem of regulating the output voltage of the switching power supplies in terms of modeling and obtaining transfer of SMPS functions.Power Electronics for Industry and Transport, Volume 3,

  6. Design and engineering of a man-made diffusive electron-transport protein.

    Science.gov (United States)

    Fry, Bryan A; Solomon, Lee A; Leslie Dutton, P; Moser, Christopher C

    2016-05-01

    Maquettes are man-made cofactor-binding oxidoreductases designed from first principles with minimal reference to natural protein sequences. Here we focus on water-soluble maquettes designed and engineered to perform diffusive electron transport of the kind typically carried out by cytochromes, ferredoxins and flavodoxins and other small proteins in photosynthetic and respiratory energy conversion and oxido-reductive metabolism. Our designs were tested by analysis of electron transfer between heme maquettes and the well-known natural electron transporter, cytochrome c. Electron-transfer kinetics were measured from seconds to milliseconds by stopped-flow, while sub-millisecond resolution was achieved through laser photolysis of the carbon monoxide maquette heme complex. These measurements demonstrate electron transfer from the maquette to cytochrome c, reproducing the timescales and charge complementarity modulation observed in natural systems. The ionic strength dependence of inter-protein electron transfer from 9.7×10(6) M(-1) s(-1) to 1.2×10(9) M(-1) s(-1) follows a simple Debye-Hückel model for attraction between +8 net charged oxidized cytochrome c and -19 net charged heme maquette, with no indication of significant protein dipole moment steering. Successfully recreating essential components of energy conversion and downstream metabolism in man-made proteins holds promise for in vivo clinical intervention and for the production of fuel or other industrial products. This article is part of a Special Issue entitled Biodesign for Bioenergetics--the design and engineering of electronic transfer cofactors, proteins and protein networks, edited by Ronald L. Koder and J.L. Ross Anderson. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. On the ultrafast kinetics of the energy and electron transfer reactions in photosystem I

    Energy Technology Data Exchange (ETDEWEB)

    Slavov, Chavdar Lyubomirov

    2009-07-09

    The subject of the current work is one of the main participants in the light-dependent phase of oxygenic photosynthesis, Photosystem I (PS I). This complex carries an immense number of cofactors: chlorophylls (Chl), carotenoids, quinones, etc, which together with the protein entity exhibit several exceptional properties. First, PS I has an ultrafast light energy trapping kinetics with a nearly 100% quantum efficiency. Secondly, both of the electron transfer branches in the reaction center are suggested to be active. Thirdly, there are some so called 'red' Chls in the antenna system of PS I, absorbing light with longer wavelengths than the reaction center. These 'red' Chls significantly modify the trapping kinetics of PS I. The purpose of this thesis is to obtain better understanding of the above-mentioned, specific features of PS I. This will not merely cast more light on the mechanisms of energy and electron transfer in the complex, but also will contribute to the future developments of optimized artificial light-harvesting systems. In the current work, a number of PS I complexes isolated from different organisms (Thermosynechococcus elongatus, Chlamydomonas reinhardtii, Arabidopsis thaliana) and possessing distinctive features (different macroorganisation, monomers, trimers, monomers with a semibelt of peripheral antenna attached; presence of 'red' Chls) is investigated. The studies are primarily focused on the electron transfer kinetics in each of the cofactor branches in the PS I reaction center, as well as on the effect of the antenna size and the presence of 'red' Chls on the trapping kinetics of PS I. These aspects are explored with the help of several ultrafast optical spectroscopy methods: (i) time-resolved fluorescence ? single photon counting and synchroscan streak camera; and (ii) ultrafast transient absorption. Physically meaningful information about the molecular mechanisms of the energy trapping in PS I is

  8. Nanoscale electron transport at the surface of a topological insulator

    Science.gov (United States)

    Bauer, Sebastian; Bobisch, Christian A.

    2016-01-01

    The use of three-dimensional topological insulators for disruptive technologies critically depends on the dissipationless transport of electrons at the surface, because of the suppression of backscattering at defects. However, in real devices, defects are unavoidable and scattering at angles other than 180° is allowed for such materials. Until now, this has been studied indirectly by bulk measurements and by the analysis of the local density of states in close vicinity to defect sites. Here, we directly measure the nanoscale voltage drop caused by the scattering at step edges, which occurs if a lateral current flows along a three-dimensional topological insulator. The experiments were performed using scanning tunnelling potentiometry for thin Bi2Se3 films. So far, the observed voltage drops are small because of large contributions of the bulk to the electronic transport. However, for the use of ideal topological insulating thin films in devices, these contributions would play a significant role. PMID:27098939

  9. Memory function approach to correlated electron transport: A comprehensive review

    Science.gov (United States)

    Das, Nabyendu; Bhalla, Pankaj; Singh, Navinder

    2016-09-01

    Memory function formalism or projection operator technique is an extremely useful method to study the transport and optical properties of various condensed matter systems. A recent revival of its uses in various correlated electronic systems is being observed. It is being used and discussed in various contexts, ranging from non-equilibrium dynamics to the optical properties of various strongly correlated systems such as high temperature superconductors. However, a detailed discussion on this method, starting from its origin to its present day applications at one place is lacking. In this article we attempt a comprehensive review of the memory function approach focusing on its uses in studying the dynamics and the transport properties of correlated electronic systems.

  10. Kinetic modeling of the electronic response of a dielectric plasma-facing solid

    Science.gov (United States)

    Bronold, Franz X.; Fehske, Holger

    2017-07-01

    We present a self-consistent kinetic theory for the electronic response of a plasma-facing dielectric solid. Based on the Poisson equation and two sets of spatially separated Boltzmann equations, one for electrons and ions in the plasma and one for conduction band electrons and valence band holes in the dielectric, the approach gives the quasi-stationary density and potential profiles of the electric double layer forming at the interface due to the permanent influx of electrons and ions from the plasma. The two sets of Boltzmann equations are connected by quantum-mechanical matching conditions for the electron distribution functions and a semi-empirical model for hole injection mimicking the neutralization of ions at the surface. Essential for the kinetic modeling is the ambipolarity inside the wall, leading to an electron-hole recombination condition, and the merging of the double layer with the quasi-neutral, field-free regions deep inside the wall and the plasma. To indicate the feasibility as well as the potential of the approach we apply it to a collisionless, perfectly absorbing interface using intrinsic and extrinsic silicon dioxide and silicon surfaces in contact with a two-temperature hydrogen plasma as an example.

  11. Electronic, adsorption, and transport properties of diamondoid-based complexes

    OpenAIRE

    Adhikari, Bibek

    2017-01-01

    Quantum simulation is an invaluable tool to researchers from various fields of scientific research. It allows the investigation of various complex condensed matter in the regimes of physics, chemistry, and biology. In this work, we focused our attention in unraveling the physical, chemical, electronic, transport, and optical properties of diamondoids and their complexes through quantum simulations. We have implemented a bottom-up approach where we move from the doping and functionalization of...

  12. Quantum effective potential, electron transport and conformons in biopolymers

    Energy Technology Data Exchange (ETDEWEB)

    Dandoloff, Rossen [Laboratoire de Physique Theorique et Modelisation, Universite de Cergy-Pontoise, F-95302 Cergy-Pontoise (France); Balakrishnan, Radha [The Institute of Mathematical Sciences, Chennai 600113 (India)

    2005-07-08

    In the Kirchhoff model of a biopolymer, conformation dynamics can be described in terms of solitary waves, for certain special cross-section asymmetries. Applying this to the problem of electron transport, we show that the quantum effective potential arising due to the bends and twists of the polymer enables us to formalize and quantify the concept of a conformon that has been hypothesized in biology. Its connection to the soliton solution of the cubic nonlinear Schroedinger equation emerges in a natural fashion.

  13. Transport of solar electrons in the turbulent interplanetary magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Ablaßmayer, J.; Tautz, R. C., E-mail: robert.c.tautz@gmail.com [Zentrum für Astronomie und Astrophysik, Technische Universität Berlin, Hardenbergstraße 36, D-10623 Berlin (Germany); Dresing, N., E-mail: dresing@physik.uni-kiel.de [Institut für Experimentelle und Angewandte Physik, Christian-Albrechts-Universität zu Kiel, Leibnizstraße 11, D-24118 Kiel (Germany)

    2016-01-15

    The turbulent transport of solar energetic electrons in the interplanetary magnetic field is investigated by means of a test-particle Monte-Carlo simulation. The magnetic fields are modeled as a combination of the Parker field and a turbulent component. In combination with the direct calculation of diffusion coefficients via the mean-square displacements, this approach allows one to analyze the effect of the initial ballistic transport phase. In that sense, the model complements the main other approach in which a transport equation is solved. The major advancement is that, by recording the flux of particles arriving at virtual detectors, intensity and anisotropy-time profiles can be obtained. Observational indications for a longitudinal asymmetry can thus be explained by tracing the diffusive spread of the particle distribution. The approach may be of future help for the systematic interpretation of observations for instance by the solar terrestrial relations observatory (STEREO) and advanced composition explorer (ACE) spacecrafts.

  14. Decoupling diffusion from the bimolecular photoinduced electron transfer reaction: a combined ultrafast spectroscopic and kinetic analysis.

    Science.gov (United States)

    Mukherjee, Puspal; Sen, Pratik

    2017-05-10

    We have studied the bimolecular photoinduced electron transfer (PET) reaction between benzophenone (Bp) and DABCO using femtosecond broadband transient absorption spectroscopy in different compositions of acetonitrile/1-butanol binary solvent mixtures. With the increase in the 1-butanol percentage in the mixture, we have observed an increase in the onset delay time of Bp˙(-), which is the product of the reaction. As 1-butanol is more viscous than acetonitrile, we related the onset time to the change in medium viscosity. Moreover, we undertook a complete kinetic analysis of the bimolecular PET reaction under different conditions to show that from transient absorption spectroscopy, we can get the exact rate of electron transfer. This kind of kinetic analysis along with the experimental data is the first of its kind to prove that transient absorption spectroscopy is probably the most useful tool in studying the PET reaction.

  15. Detecting Electron Transport of Amino Acids by Using Conductance Measurement

    Directory of Open Access Journals (Sweden)

    Wei-Qiong Li

    2017-04-01

    Full Text Available The single molecular conductance of amino acids was measured by a scanning tunneling microscope (STM break junction. Conductance measurement of alanine gives out two conductance values at 10−1.85 G0 (1095 nS and 10−3.7 G0 (15.5 nS, while similar conductance values are also observed for aspartic acid and glutamic acid, which have one more carboxylic acid group compared with alanine. This may show that the backbone of NH2–C–COOH is the primary means of electron transport in the molecular junction of aspartic acid and glutamic acid. However, NH2–C–COOH is not the primary means of electron transport in the methionine junction, which may be caused by the strong interaction of the Au–SMe (methyl sulfide bond for the methionine junction. The current work reveals the important role of the anchoring group in the electron transport in different amino acids junctions.

  16. Heat Transport in Interacting Magnetized Electron Temperature Filaments

    Science.gov (United States)

    Sydora, Richard; Karbashewski, Scott; van Compernolle, Bart; Poulos, Matt; Morales, George

    2017-10-01

    Results are presented from basic heat transport experiments and numerical simulations of multiple magnetized electron temperature filaments in close proximity. This arrangement samples cross-field transport from nonlinear drift-Alfven waves and large scale convective cells. Experiments are performed in the Large Plasma Device (LAPD) at UCLA. The setup consists of three biased CeB6 crystal cathodes that inject low energy electrons (below ionization energy) along a strong magnetic field into a pre-existing large and cold plasma forming 3 electron temperature filaments embedded in a colder plasma, and far from the machine walls. A triangular spatial pattern is chosen for the thermal sources and multiple axial and transverse probe measurements allow for determination of the cross-field mode patterns and axial filament length. We have characterized the spontaneous thermal waves and drift-Alfven waves that develop on an individual filament when a single source is activated. When the 3 sources are activated, and in close proximity, a complex wave pattern emerges due to interference of the various wave modes leading to enhanced cross-field transport and chaotic mixing. Steep thermal gradients develop in a periphery region of the filaments where higher azimuthal wavenumber drift-Alfven modes are excited. Detailed spectral analysis and comparison with nonlinear fluid and gyrokinetic simulations will be reported. Work Supported by NSERC, Canada and NSF-DOE, USA.

  17. Electron transport through a quantum dot assisted by cavity photons

    Science.gov (United States)

    Abdullah, Nzar Rauf; Tang, Chi-Shung; Manolescu, Andrei; Gudmundsson, Vidar

    2013-11-01

    We investigate transient transport of electrons through a single quantum dot controlled by a plunger gate. The dot is embedded in a finite wire with length Lx assumed to lie along the x-direction with a parabolic confinement in the y-direction. The quantum wire, originally with hard-wall confinement at its ends, ±Lx/2, is weakly coupled at t = 0 to left and right leads acting as external electron reservoirs. The central system, the dot and the finite wire, is strongly coupled to a single cavity photon mode. A non-Markovian density-matrix formalism is employed to take into account the full electron-photon interaction in the transient regime. In the absence of a photon cavity, a resonant current peak can be found by tuning the plunger-gate voltage to lift a many-body state of the system into the source-drain bias window. In the presence of an x-polarized photon field, additional side peaks can be found due to photon-assisted transport. By appropriately tuning the plunger-gate voltage, the electrons in the left lead are allowed to undergo coherent inelastic scattering to a two-photon state above the bias window if initially one photon was present in the cavity. However, this photon-assisted feature is suppressed in the case of a y-polarized photon field due to the anisotropy of our system caused by its geometry.

  18. Simulations of electron transport in GaN devices

    CERN Document Server

    Arabshahi, H

    2002-01-01

    model of a device with traps to investigate this suggestion. The model includes the simulation of the capture and release of electrons by traps whose charge has a direct effect on the current flowing through the transistor terminals. The influence of temperature and light on the occupancy of the traps and the I-V characteristics are considered. It is concluded that traps are likely to play a substantial role in the behaviour of GaN field effect transistors. Further simulations were performed to model electron transport in AIGaN/GaN heterojunction FETs. So called HFET structures with a 78 nm Al sub 0 sub . sub 2 Ga sub 0 sub . sub 8 N pseudomorphically strained layer have been simulated, with the inclusion of spontaneous and piezoelectric polarization effects in the strained layer. The polarization effects are shown to not only increase the current density, but also improve the electron transport by inducing a higher electron density close to the positive charge sheet that occurs in the channel. This thesis de...

  19. The kinetic structure of the electron diffusion region observed by MMS during asymmetric reconnection

    Science.gov (United States)

    Jan, Egedal; Wetherton, Blake; Le, Ari; Daughton, William

    2017-10-01

    During asymmetric magnetic reconnection in the dayside magnetopause in situ spacecraft measurements by NASA's MMS mission provide new detailed information on the electron dynamics within the electron diffusion region. In particular, we report here on observations by MMS4 which traveled the closest on the topological X-line in the event on October 16, 2015, first reported by Burch et al.,. In addition to crescent shaped electron distributions, the measurements include electron beams flowing in toward the diffusion region. These beams of incoming electrons are formed by E∥ acceleration along the high-density side separatrices. They penetrate across the electron diffusion region, where their directions are nearly unaffected by the rapid changes in the magnetic field geometry. Matching electron beam features are observed in 2.5D kinetic simulations, revealing their role in breaking the electron frozen-in-law through contributions to the off-diagonal stress in the electron pressure tensor. This work was supported by NSF GEM Award No. 1405166.

  20. Laboratory investigation of the role of desorption kinetics on americium transport associated with bentonite colloids.

    Science.gov (United States)

    Dittrich, Timothy Mark; Boukhalfa, Hakim; Ware, Stuart Douglas; Reimus, Paul William

    2015-10-01

    Understanding the parameters that control colloid-mediated transport of radionuclides is important for the safe disposal of used nuclear fuel. We report an experimental and reactive transport modeling examination of americium transport in a groundwater-bentonite-fracture fill material system. A series of batch sorption and column transport experiments were conducted to determine the role of desorption kinetics from bentonite colloids in the transport of americium through fracture materials. We used fracture fill material from a shear zone in altered granodiorite collected from the Grimsel Test Site (GTS) in Switzerland and colloidal suspensions generated from FEBEX bentonite, a potential repository backfill material. The colloidal suspension (100 mg L(-1)) was prepared in synthetic groundwater that matched the natural water chemistry at GTS and was spiked with 5.5 × 10(-10) M (241)Am. Batch characterizations indicated that 97% of the americium in the stock suspension was adsorbed to the colloids. Breakthrough experiments conducted by injecting the americium colloidal suspension through three identical columns in series, each with mean residence times of 6 h, show that more than 95% of the bentonite colloids were transported through each of the columns, with modeled colloid filtration rates (k(f)) of 0.01-0.02 h(-1). Am recoveries in each column were 55-60%, and Am desorption rate constants from the colloids, determined from 1-D transport modeling, were 0.96, 0.98, and 0.91 h(-1) in the three columns, respectively. The consistency in Am recoveries and desorption rate constants in each column indicates that the Am was not associated with binding sites of widely-varying strengths on the colloids, as one binding site with fast kinetics represented the system accurately for all three sequential columns. Our data suggest that colloid-mediated transport of Am in a bentonite-fracture fill material system is unlikely to result in transport over long distance scales because

  1. Control of electronic transport in graphene by electromagnetic dressing.

    Science.gov (United States)

    Kristinsson, K; Kibis, O V; Morina, S; Shelykh, I A

    2016-02-03

    We demonstrated theoretically that the renormalization of the electron energy spectrum near the Dirac point of graphene by a strong high-frequency electromagnetic field (dressing field) drastically depends on polarization of the field. Namely, linear polarization results in an anisotropic gapless energy spectrum, whereas circular polarization leads to an isotropic gapped one. As a consequence, the stationary (dc) electronic transport in graphene strongly depends on parameters of the dressing field: A circularly polarized field monotonically decreases the isotropic conductivity of graphene, whereas a linearly polarized one results in both giant anisotropy of conductivity (which can reach thousands of percents) and the oscillating behavior of the conductivity as a function of the field intensity. Since the predicted phenomena can be observed in a graphene layer irradiated by a monochromatic electromagnetic wave, the elaborated theory opens a substantially new way to control electronic properties of graphene with light.

  2. Creation, Transport and Measurement of Bright Relativistic Electron Beams.

    Science.gov (United States)

    McKee, Chad Bennett

    This thesis deals with three topics relevant to linac-driven free electron lasers: the creation, transport and measurement of bright relativistic electron beams. Thermionic microwave electron guns produce bright electron beams that are well suited to drive free electron lasers, FELs. The rf fields in the gun cause some of the emitted electrons to reverse direction and strike the cathode. These back-bombarding electrons heat the cathode limiting both the pulse length and time averaged current. The cathode heating is reduced if a transverse magnetic field is applied across the gun cavity to deflect back-bombarding electrons. We improve the thermionic microwave electron gun by redesigning the deflection magnet to minimize the back-heating power. Computer simulations show that transverse magnetic fields with rapid axial falloffs reduce the back-heating power more than fields that are axially constant. Experiments verify these simulations. The deflection magnet presently installed on the Mark III gun has a slow axial falloff and reduces the back-heating power by 31%. Using the simulation results we design a new deflection magnet having a rapid axial falloff. This magnet has been installed on the NCCU gun and reduces the back-heating power by 63%. Improper transport of the electron beam through the beam line degrades the quality of the electron beam and lowers the performance of the FEL. We propose to improve the beam line commissioning and control procedures on linac -driven FELs by experimentally measuring the transfer matrix of each beam line section. The transfer matrix of a given section is measured by dithering the electron beam, measuring the beam vector before and after the section and inverting the subsequent data matrix. We minimize the beam line errors by minimizing the deviation between the experimentally measured transfer matrix and the design transfer matrix of each beam line section. While not experimentally verified, computer simulations show that this

  3. Gyrokinetic calculations of steady-state particle transport in electron internal transport barriers

    Energy Technology Data Exchange (ETDEWEB)

    Fable, E; Sauter, O [Centre de Recherches en Physique des Plasmas, Association EURATOM-Confederation Suisse, Ecole Polytechnique Federale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Angioni, C [Max-Planck-Institut fuer Plasmaphysik, EURATOM Association, 85748 Garching (Germany)], E-mail: emiliano.fable@epfl.ch

    2008-11-15

    The appearance of an internal particle transport barrier, correlated with a heat transport barrier, during strongly electron heated discharges in reversed magnetic shear scenario is well-established experimental evidence. Turbulent transport is believed to be responsible for the observed inward pinch. The mechanisms for the sustainment of such peaked density profiles in the absence of core particle sources are analysed in the framework of collisionless linear gyrokinetic turbulence theory. In particular, it is elucidated how the thermodiffusive pinch can become the dominant contribution to the total inward pinch. In stationary conditions, the pinch is shown to be carried mostly by trapped electrons, while passing electrons give a smaller contribution. The pinch is maximized when two different microinstabilities, namely the ion temperature gradient mode and the trapped electron mode are believed to coexist at similar linear growth rates. To reach this state at high values of the normalized density gradient, it is necessary to reduce the trapped electron mode activity via different stabilizing mechanisms. The role of impurities is also briefly discussed. A comprehensive analytical-numerical study of the linear stability properties of the modes allows the understanding of the physical mechanism in detail and the clarification of the possible drive of the observed pinch.

  4. Selfconsistent vibrational and free electron kinetics for CO2 dissociation in cold plasmas

    Science.gov (United States)

    Capitelli, Mario

    2016-09-01

    The activation of CO2 by cold plasmas is receiving new theoretical interest thanks to two European groups. The Bogaerts group developed a global model for the activation of CO2 trying to reproduce the experimental values for DBD and microwave discharges. The approach of Pietanza et al was devoted to understand the dependence of electron energy distribution function (eedf) of pure CO2 on the presence of concentrations of electronically and vibrationally excited states taken as parameter. To understand the importance of the vibrational excitation in the dissociation process Pietanza et al compared an upper limit to the dissociation process from a pure vibrational mechanism (PVM) with the corresponding electron impact dissociation rate, the prevalence of the two models depending on the reduced electric field and on the choice of the electron molecule cross section database. Improvement of the Pietanza et al model is being considered by coupling the time dependent Boltzmann solver with the non equilibrium vibrational kinetics of asymmetric mode and with simplified plasma chemistry kinetics describing the ionization/recombination process and the excitation-deexcitation of a metastable level at 10.5eV. A new PVM mechanism is also considered. Preliminary results, for both discharge and post discharge conditions, emphasize the action of superelastic collisions involving both vibrationally and electronically excited states in affecting the eedf. The new results can be used to plan a road map for future developments of numerical codes for rationalizing existing experimental values, as well as, for indicating new experimental situations.

  5. The macro response Monte Carlo method for electron transport

    Science.gov (United States)

    Svatos, Michelle Marie

    1998-10-01

    This thesis proves the feasibility of basing depth dose calculations for electron radiotherapy on first- principles single scatter physics, in an amount of time that is comparable to or better than current electron Monte Carlo methods. The Macro Response Monte Carlo (MRMC) method achieves run times that have potential to be much faster than conventional electron transport methods such as condensed history. This is possible because MRMC is a Local-to- Global method, meaning the problem is broken down into two separate transport calculations. The first stage is a local, single scatter calculation, which generates probability distribution functions (PDFs) to describe the electron's energy, position and trajectory after leaving the local geometry, a small sphere or 'kugel'. A number of local kugel calculations were run for calcium and carbon, creating a library of kugel data sets over a range of incident energies (0.25 MeV-8 MeV) and sizes (0.025 cm to 0.1 cm in radius). The second transport stage is a global calculation, where steps that conform to the size of the kugels in the library are taken through the global geometry, which in this case is a CT (computed tomography) scan of a patient or phantom. For each step, the appropriate PDFs from the MRMC library are sampled to determine the electron's new energy, position and trajectory. The electron is immediately advanced to the end of the step and then chooses another kugel to sample, which continues until transport is completed. The MRMC global stepping code was benchmarked as a series of subroutines inside of the Peregrine Monte Carlo code against EGS4 and MCNP for depth dose in simple phantoms having density inhomogeneities. The energy deposition algorithms for spreading dose across 5-10 zones per kugel were tested. Most resulting depth dose calculations were within 2-3% of well-benchmarked codes, with one excursion to 4%. This thesis shows that the concept of using single scatter-based physics in clinical radiation

  6. Anomalously Hot Electrons due to Rescatter of Stimulated Raman Scattering in the Kinetic Regime

    CERN Document Server

    Winjum, B J; Tsung, F S; Mori, W B

    2012-01-01

    Using particle-in-cell simulations, we examine hot electron generation from electron plasma waves excited by stimulated Raman scattering and rescattering in the kinetic regime where the wavenumber times the Debye length (k\\lambda_D) is greater than 0.3 for backscatter. We find that for laser and plasma conditions of possible relevance to experiments at the National Ignition Facility (NIF), anomalously energetic electrons can be produced through the interaction of a discrete spectrum of plasma waves generated from SRS (back and forward scatter), rescatter, and the Langmuir decay of the rescatter-generated plasma waves. Electrons are bootstrapped in energy as they propagate into plasma waves with progressively higher phase velocities.

  7. Electron trapping and acceleration by kinetic Alfven waves in the inner magnetosphere

    Science.gov (United States)

    Artemyev, A. V.; Rankin, R.; Blanco, M.

    2015-12-01

    In this paper we study the interaction of kinetic Alfven waves generated near the equatorial plane of the magnetosphere with electrons having initial energies up to ˜100 eV. Wave-particle interactions are investigated using a theoretical model of trapping into an effective potential generated by the wave parallel electric field and the mirror force acting along geomagnetic field lines. It is demonstrated that waves with an effective potential amplitude on the order of ˜100-400 V and with perpendicular wavelengths on the order of the ion gyroradius can trap and efficiently accelerate electrons up to energies of several keV. Trapping acceleration corresponds to conservation of the electron magnetic moment and, thus, results in a significant decrease of the electron equatorial pitch angle with time. Analytical and numerical estimates of the maximum energy and probability of trapping are presented, and the application of the proposed model is discussed.

  8. Non-renewal statistics for electron transport in a molecular junction with electron-vibration interaction

    Science.gov (United States)

    Kosov, Daniel S.

    2017-09-01

    Quantum transport of electrons through a molecule is a series of individual electron tunneling events separated by stochastic waiting time intervals. We study the emergence of temporal correlations between successive waiting times for the electron transport in a vibrating molecular junction. Using the master equation approach, we compute the joint probability distribution for waiting times of two successive tunneling events. We show that the probability distribution is completely reset after each tunneling event if molecular vibrations are thermally equilibrated. If we treat vibrational dynamics exactly without imposing the equilibration constraint, the statistics of electron tunneling events become non-renewal. Non-renewal statistics between two waiting times τ1 and τ2 means that the density matrix of the molecule is not fully renewed after time τ1 and the probability of observing waiting time τ2 for the second electron transfer depends on the previous electron waiting time τ1. The strong electron-vibration coupling is required for the emergence of the non-renewal statistics. We show that in the Franck-Condon blockade regime, extremely rare tunneling events become positively correlated.

  9. Time-of-flight studies of electron-collection kinetics in polymer: Fullerene bulk-heterojunction solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Morfa, Anthony J. [School of Chemistry and Bio21 Institute, University of Melbourne, Parkville 3010, Victoria (Australia); Nardes, Alexandre M.; Kopidakis, Nikos; Lagemaat, Jao van de [National Renewable Energy Laboratory, Golden, Colorado, 80401 (United States); Shaheen, Sean E. [National Renewable Energy Laboratory, Golden, Colorado, 80401 (United States); Department of Physics and Astronomy, University of Denver, Denver, Colorado 80210 (United States)

    2011-07-08

    The charge-collection dynamics in poly(3-hexylthiophene:[6,6]-phenyl-C{sub 61}-butyric acid methyl ester) (P3HT:PCBM) bulk heterojunctions are studied in thick (>1 {mu}m) devices using time-of-flight measurements and external quantum-efficiency measurements. The devices show Schottky-diode behavior with a large field-free region in the device. Consequently, electron transport occurs by diffusion in the bulk of the active layer. At high applied biases where the depletion region spans the entire active layer, normal time-of-flight transients are observed from which the electron mobility can be determined. Here, the electron mobility follows Poole-Frenkel behavior as a function of field. At lower applied biases, where the depletion region only spans a small portion of the active layer, due to a high density of dark holes, the recombination kinetics follow a first-order rate law with a rate constant about two orders of magnitude lower than that predicted by Langevin recombination. Transient photoconductivity measurements Schottky solar cells of poly(3-hexylthiophene:[6,6]-phenyl-C{sub 61}-butyric acid methyl ester) (P3HT:PCBM) at several voltages demonstrate the dependence of charge collection on transit time. The applied bias is controlled, which tunes the depletion layer width, and thus the field-free region. The total charge collected versus the average transit time is then calculated. First-order charge kinetics are demonstrated. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. On the Monte Carlo simulation of electron transport in the sub-1 keV energy range.

    Science.gov (United States)

    Thomson, Rowan M; Kawrakow, Iwan

    2011-08-01

    The validity of "classic" Monte Carlo (MC) simulations of electron and positron transport at sub-1 keV energies is investigated in the context of quantum theory. Quantum theory dictates that uncertainties on the position and energy-momentum four-vectors of radiation quanta obey Heisenberg's uncertainty relation; however, these uncertainties are neglected in "classical" MC simulations of radiation transport in which position and momentum are known precisely. Using the quantum uncertainty relation and electron mean free path, the magnitudes of uncertainties on electron position and momentum are calculated for different kinetic energies; a validity bound on the classical simulation of electron transport is derived. In order to satisfy the Heisenberg uncertainty principle, uncertainties of 5% must be assigned to position and momentum for 1 keV electrons in water; at 100 eV, these uncertainties are 17 to 20% and are even larger at lower energies. In gaseous media such as air, these uncertainties are much smaller (less than 1% for electrons with energy 20 eV or greater). The classical Monte Carlo transport treatment is questionable for sub-1 keV electrons in condensed water as uncertainties on position and momentum must be large (relative to electron momentum and mean free path) to satisfy the quantum uncertainty principle. Simulations which do not account for these uncertainties are not faithful representations of the physical processes, calling into question the results of MC track structure codes simulating sub-1 keV electron transport. Further, the large difference in the scale at which quantum effects are important in gaseous and condensed media suggests that track structure measurements in gases are not necessarily representative of track structure in condensed materials on a micrometer or a nanometer scale.

  11. Simulating kinetic parameters in transporter mediated permeability across Caco-2 cells. A case study on estrange-3-sulphate

    DEFF Research Database (Denmark)

    Rolsted, Kamilla; Rapin, Nicolas; Steffansen, Bente

    2011-01-01

    Substances that compete for the same saturable intestinal transporters may when dosed together lead to altered permeability and hence influence bioavailability. The aim was to simulate kinetic parameters, i.e. K(m) and J(max), for transporter mediated E(1)S permeability across Caco-2 cells...

  12. kinetics

    Directory of Open Access Journals (Sweden)

    D. E. Panayotounakos

    2002-01-01

    Full Text Available We present the construction of the general solutions concerning the one-dimensional (1D fully dynamic nonlinear partial differential equations (PDEs, for the erosion kinetics. After an uncoupling procedure of the above mentioned equations a second–order nonlinear PDE of the Monge type governing the porosity is derived, the general solution of which is constructed in the sense that a full complement of arbitrary functions (as many as the order is introduced. Afterwards, we specify the above solution according to convenient initial conditions.

  13. Electronic transport in narrow-gap semiconductor nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Bloemers, Christian

    2012-10-19

    Throughout this work the electronic transport properties of InAs, InN, and GaAs/InAs core/shell nanowires have been analyzed. This includes the analysis of specific resistivity at room temperature and low temperatures as well as the breakdown of resistivity by a contribution of mobility and carrier concentration using gate measurements. While the InN nanowires showed homogeneous transport properties, there was a large statistical spread in the properties of InAs nanowires. Differing crystal structures and the surface conditions are identified to be the main reasons for the statistical spread. Both quantities of influence have been pointed out by comparing the transport parameters before and after a surface treatment (electron irradiation and long time ambient air exposure), and by comparing the transport parameters of wires grown by different growth methods which exhibit different kinds of crystal structure. In particular, the temperature dependence of the conductivity revealed different activation energies in nanowires with differing crystal structures. An explanation has been suggested in terms of stacking fault induced potential barriers. A field-effect measurement setup has been utilized to determine the nanowire mobility and carrier concentration. Even though this method is widely used for nanowires, it is subject to a serious disadvantage concerning the influence of surface and interface states on the measurements. As an alternative method which does not suffer from this drawback, Hall measurements have been successfully performed on InAs nanowires for the first time. These measurements became possible because of the utilization of a new electron beam lithographic procedure with an alignment accuracy in the 5 nm range. Carrier concentration values could be determined and compared to the ones obtained from conventional field-effect measurements. The results of the Hall measurements revealed a methodical overestimation of the carrier concentrations obtained

  14. Long-distance electron transport occurs globally in marine sediments

    Science.gov (United States)

    Burdorf, Laurine D. W.; Tramper, Anton; Seitaj, Dorina; Meire, Lorenz; Hidalgo-Martinez, Silvia; Zetsche, Eva-Maria; Boschker, Henricus T. S.; Meysman, Filip J. R.

    2017-02-01

    Recently, long filamentous bacteria have been reported conducting electrons over centimetre distances in marine sediments. These so-called cable bacteria perform an electrogenic form of sulfur oxidation, whereby long-distance electron transport links sulfide oxidation in deeper sediment horizons to oxygen reduction in the upper millimetres of the sediment. Electrogenic sulfur oxidation exerts a strong impact on the local sediment biogeochemistry, but it is currently unknown how prevalent the process is within the seafloor. Here we provide a state-of-the-art assessment of its global distribution by combining new field observations with previous reports from the literature. This synthesis demonstrates that electrogenic sulfur oxidation, and hence microbial long-distance electron transport, is a widespread phenomenon in the present-day seafloor. The process is found in coastal sediments within different climate zones (off the Netherlands, Greenland, the USA, Australia) and thrives on a range of different coastal habitats (estuaries, salt marshes, mangroves, coastal hypoxic basins, intertidal flats). The combination of a widespread occurrence and a strong local geochemical imprint suggests that electrogenic sulfur oxidation could be an important, and hitherto overlooked, component of the marine cycle of carbon, sulfur and other elements.

  15. Nanoscale Electron Transport Measurements of Immobilized Cytochrome P450 Proteins

    Science.gov (United States)

    Bostick, Christopher D.; Flora, Darcy R.; Gannett, Peter M.; Tracy, Timothy S.; Lederman, David

    2015-01-01

    Gold nanopillars, functionalized with an organic self-assembled monolayer, can be used to measure the electrical conductance properties of immobilized proteins without aggregation. Measurements of the conductance of nanopillars with cytochrome P450 2C9 (CYP2C9) proteins using conducting probe atomic force microscopy demonstrate that a correlation exists between the energy barrier height between hopping sites and CYP2C9 metabolic activity. Measurements performed as a function of tip force indicate that, when subjected to a large force, the protein is more stable in the presence of a substrate. This agrees with the hypothesis that substrate entry into the active site helps to stabilize the enzyme. The relative distance between hopping sites also increases with increasing force, possibly because protein functional groups responsible for electron transport depend on the structure of the protein. The inhibitor sulfaphenazole, in addition to the previously studied aniline, increased the barrier height for electron transfer and thereby makes CYP2C9 reduction more difficult and inhibits metabolism. This suggests that P450 Type II binders may decrease the ease of electron transport processes in the enzyme, in addition to occupying the active site. PMID:25804257

  16. Theory of Fast Electron Transport for Fast Ignition

    CERN Document Server

    Robinson, A P L; Davies, J R; Gremillet, L; Honrubia, J J; Johzaki, T; Kingham, R J; Sherlock, M; Solodov, A A

    2013-01-01

    Fast Ignition Inertial Confinement Fusion is a variant of inertial fusion in which DT fuel is first compressed to high density and then ignited by a relativistic electron beam generated by a fast (< 20 ps) ultra-intense laser pulse, which is usually brought in to the dense plasma via the inclusion of a re-entrant cone. The transport of this beam from the cone apex into the dense fuel is a critical part of this scheme, as it can strongly influence the overall energetics. Here we review progress in the theory and numerical simulation of fast electron transport in the context of Fast Ignition. Important aspects of the basic plasma physics, descriptions of the numerical methods used, a review of ignition-scale simulations, and a survey of schemes for controlling the propagation of fast electrons are included. Considerable progress has taken place in this area, but the development of a robust, high-gain FI `point design' is still an ongoing challenge.

  17. Helium, Iron and Electron Particle Transport and Energy Transport Studies on the TFTR Tokamak

    Science.gov (United States)

    Synakowski, E. J.; Efthimion, P. C.; Rewoldt, G.; Stratton, B. C.; Tang, W. M.; Grek, B.; Hill, K. W.; Hulse, R. A.; Johnson, D .W.; Mansfield, D. K.; McCune, D.; Mikkelsen, D. R.; Park, H. K.; Ramsey, A. T.; Redi, M. H.; Scott, S. D.; Taylor, G.; Timberlake, J.; Zarnstorff, M. C. (Princeton Univ., NJ (United States). Plasma Physics Lab.); Kissick, M. W. (Wisconsin Univ., Madison, WI (United States))

    1993-03-01

    Results from helium, iron, and electron transport on TFTR in L-mode and Supershot deuterium plasmas with the same toroidal field, plasma current, and neutral beam heating power are presented. They are compared to results from thermal transport analysis based on power balance. Particle diffusivities and thermal conductivities are radially hollow and larger than neoclassical values, except possibly near the magnetic axis. The ion channel dominates over the electron channel in both particle and thermal diffusion. A peaked helium profile, supported by inward convection that is stronger than predicted by neoclassical theory, is measured in the Supershot The helium profile shape is consistent with predictions from quasilinear electrostatic drift-wave theory. While the perturbative particle diffusion coefficients of all three species are similar in the Supershot, differences are found in the L-Mode. Quasilinear theory calculations of the ratios of impurity diffusivities are in good accord with measurements. Theory estimates indicate that the ion heat flux should be larger than the electron heat flux, consistent with power balance analysis. However, theoretical values of the ratio of the ion to electron heat flux can be more than a factor of three larger than experimental values. A correlation between helium diffusion and ion thermal transport is observed and has favorable implications for sustained ignition of a tokamak fusion reactor.

  18. Elastic properties and electron transport in InAs nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Migunov, Vadim

    2013-02-22

    The electron transport and elastic properties of InAs nanowires grown by chemical vapor deposition on InAs (001) substrate were studied experimentally, in-situ in a transmission electron microscope (TEM). A TEM holder allowing the measurement of a nanoforce while simultaneous imaging nanowire bending was used. Diffraction images from local areas of the wire were recorded to correlate elastic properties with the atomic structure of the nanowires. Another TEM holder allowing the application of electrical bias between the nanowire and an apex of a metallic needle while simultaneous imaging the nanowire in TEM or performing electron holography was used to detect mechanical vibrations in mechanical study or holographical observation of the nanowire inner potential in the electron transport studies. The combination of the scanning probe methods with TEM allows to correlate the measured electric and elastic properties of the nanowires with direct identification of their atomic structure. It was found that the nanowires have different atomic structures and different stacking fault defect densities that impacts critically on the elastic properties and electric transport. The unique methods, that were applied in this work, allowed to obtain dependencies of resistivity and Young's modulus of left angle 111 right angle -oriented InAs nanowires on defect density and diameter. It was found that the higher is the defect density the higher are the resistivity and the Young's modulus. Regarding the resistivity, it was deduced that the stacking faults increase the scattering of the electrons in the nanowire. These findings are consistent with the literature, however, the effect described by the other groups is not so pronounced. This difference can be attributed to the significant incompleteness of the physical models used for the data analysis. Regarding the elastic modulus, there are several mechanisms affecting the elasticity of the nanowires discussed in the thesis. It

  19. Coherent manipulation of thermal transport by tunable electron-photon and electron-phonon interaction

    Science.gov (United States)

    Paolucci, Federico; Timossi, Giuliano; Solinas, Paolo; Giazotto, Francesco

    2017-06-01

    We propose a system where coherent thermal transport between two reservoirs in non-galvanic contact is modulated by independently tuning the electron-photon and the electron-phonon coupling. The scheme is based on two gate-controlled electrodes capacitively coupled through a dc-SQUID (superconducting quantum interference device) as an intermediate phase-tunable resonator. Thereby the electron-photon interaction is modulated by controlling the flux threading the dc-SQUID (superconducting quantum interference device) and the impedance of the two reservoirs, while the electron-phonon coupling is tuned by controlling the charge carrier concentration in the electrodes. To quantitatively evaluate the behavior of the system, we propose to exploit the graphene reservoirs. In this case, the scheme can work at temperatures reaching 1 K, with unprecedented temperature modulations as large as 245 mK, transmittance up to 99%, and energy conversion efficiency up to 50%. Finally, the accuracy of heat transport control allows us to use this system as an experimental tool to determine the electron-phonon coupling in two-dimensional electronic systems.

  20. Kinetics of ion and prompt electron emission from laser-produced plasma

    Science.gov (United States)

    Farid, N.; Harilal, S. S.; Ding, H.; Hassanein, A.

    2013-07-01

    We investigated ion emission dynamics of laser-produced plasma from several elements, comprised of metals and non-metals (C, Al, Si, Cu, Mo, Ta, W), under vacuum conditions using a Faraday cup. The estimated ion flux for various targets studied showed a decreasing tendency with increasing atomic mass. For metals, the ion flux is found to be a function of sublimation energy. A comparison of temporal ion profiles of various materials showed only high-Z elements exhibited multiple structures in the ion time of flight profile indicated by the observation of higher peak kinetic energies, which were absent for low-Z element targets. The slower ions were seen regardless of the atomic number of target material propagated with a kinetic energy of 1-5 keV, while the fast ions observed in high-Z materials possessed significantly higher energies. A systematic study of plasma properties employing fast photography, time, and space resolved optical emission spectroscopy, and electron analysis showed that there existed different mechanisms for generating ions in laser ablation plumes. The origin of high kinetic energy ions is related to prompt electron emission from high-Z targets.

  1. Kinetics of ion and prompt electron emission from laser-produced plasma

    Energy Technology Data Exchange (ETDEWEB)

    Farid, N. [Center for Materials Under Extreme Environment, School of Nuclear Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, School of Physics and Optical Engineering, Dalian University of Technology, Dalian (China); Harilal, S. S.; Hassanein, A. [Center for Materials Under Extreme Environment, School of Nuclear Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Ding, H. [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, School of Physics and Optical Engineering, Dalian University of Technology, Dalian (China)

    2013-07-15

    We investigated ion emission dynamics of laser-produced plasma from several elements, comprised of metals and non-metals (C, Al, Si, Cu, Mo, Ta, W), under vacuum conditions using a Faraday cup. The estimated ion flux for various targets studied showed a decreasing tendency with increasing atomic mass. For metals, the ion flux is found to be a function of sublimation energy. A comparison of temporal ion profiles of various materials showed only high-Z elements exhibited multiple structures in the ion time of flight profile indicated by the observation of higher peak kinetic energies, which were absent for low-Z element targets. The slower ions were seen regardless of the atomic number of target material propagated with a kinetic energy of 1–5 keV, while the fast ions observed in high-Z materials possessed significantly higher energies. A systematic study of plasma properties employing fast photography, time, and space resolved optical emission spectroscopy, and electron analysis showed that there existed different mechanisms for generating ions in laser ablation plumes. The origin of high kinetic energy ions is related to prompt electron emission from high-Z targets.

  2. Contacting nanowires and nanotubes with atomic precision for electronic transport

    KAUST Repository

    Qin, Shengyong

    2012-01-01

    Making contacts to nanostructures with atomic precision is an important process in the bottom-up fabrication and characterization of electronic nanodevices. Existing contacting techniques use top-down lithography and chemical etching, but lack atomic precision and introduce the possibility of contamination. Here, we report that a field-induced emission process can be used to make local contacts onto individual nanowires and nanotubes with atomic spatial precision. The gold nano-islands are deposited onto nanostructures precisely by using a scanning tunneling microscope tip, which provides a clean and controllable method to ensure both electrically conductive and mechanically reliable contacts. To demonstrate the wide applicability of the technique, nano-contacts are fabricated on silicide atomic wires, carbon nanotubes, and copper nanowires. The electrical transport measurements are performed in situ by utilizing the nanocontacts to bridge the nanostructures to the transport probes. © 2012 American Institute of Physics.

  3. The transport of 2D electrons through magnetic barriers

    Science.gov (United States)

    Kubrak, V.; Rushforth, A. W.; Neumann, A. C.; Rahman, F.; Gallagher, B. L.; Main, P. C.; Henini, M.; Marrows, C. H.; Hickey, B. J.

    2000-05-01

    We have fabricated three different types of hybrid ferromagnet-semiconductor devices. In each case, the stray field from a magnetic element on the surface of the semiconductor gives rise to a different type of inhomogeneous magnetic profile at a near-surface two-dimensional electron gas (2DEG). We investigate how these different types of magnetic barriers influence the transport properties of the 2DEG. Implications for potential applications of hybrid devices for nanomagnetometry, magnetic field sensors and spin-injection devices are discussed.

  4. Electron transport in silicon nanowires having different cross-sections

    Directory of Open Access Journals (Sweden)

    Muscato Orazio

    2016-06-01

    Full Text Available Transport phenomena in silicon nanowires with different cross-section are investigated using an Extended Hydrodynamic model, coupled to the Schrödinger-Poisson system. The model has been formulated by closing the moment system derived from the Boltzmann equation on the basis of the maximum entropy principle of Extended Thermodynamics, obtaining explicit closure relations for the high-order fluxes and the production terms. Scattering of electrons with acoustic and non polar optical phonons have been taken into account. The bulk mobility is evaluated for square and equilateral triangle cross-sections of the wire.

  5. An electron transport code independent of the planetary thermosphere

    Science.gov (United States)

    Lilensten, J.

    2017-09-01

    Transsolo is a code that describes the transport of the electrons from solar origin of from photoionisation in the upper atmosphere. Up to now, it has been adapted to the Earth, Venus, Jupiter, Uranus, Mars and Titan. However, these adaptations resulted in separate codes and improvements of one did not automatically follow in the others. In the frame of Europlanet, we re-wrote this code in a user-friendly manner to make it independent of the planet, so that it is easy to make measurements in many circumstances.

  6. Study of electronic transport properties of doped 8AGNR

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Uma Shankar, E-mail: umashankar-rjit@yahoo.co.in [Rustamji Institute of Technology, BSF Academy Tekanpur, Gwalior-475005 (India); Srivastava, Anurag [Advanced Materials Research Group, Computational Nanoscience and Technology Lab, ABV-Indian Institute of Information Technology and Management Gwalior-474015 (India); Verma, U. P. [School of Studies in Physics, Jiwaji University, Gwalior-474011 (India)

    2014-04-24

    The electronic and transport properties of 8-armchair graphene nanoribbon (8AGNR) with defect at different sites are investigated by performing first-principles calculations based on density functional theory (DFT). The calculated results show that the 8AGNR are semiconductor. The introduction of 3d transition metals, creates the nondegenerate states in the conduction band, makes 8AGNR metallic. The computed transmission spectrum confirms that AGNR are semiconducting in nature and their band gap remain unchanged and localized states appear when there is vacancy in their structures, and the conductance decreases due to defects compared with the pristine nanoribbon.

  7. Electron transport in argon in crossed electric and magnetic fields

    Science.gov (United States)

    Ness; Makabe

    2000-09-01

    An investigation of electron transport in argon in the presence of crossed electric and magnetic fields is carried out over a wide range of values of electric and magnetic field strengths. Values of mean energy, ionization rate, drift velocity, and diffusion tensor are reported here. Two unexpected phenomena arise; for certain values of electric and magnetic field we find regions where the swarm mean energy decreases with increasing electric fields for a fixed magnetic field and regions where swarm mean energy increases with increasing magnetic field for a fixed electric field.

  8. A Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter

    Science.gov (United States)

    Razavi, Asghar M.; Khelashvili, George; Weinstein, Harel

    2017-01-01

    The dopamine transporter (DAT) belongs to the neurotransmitter:sodium symporter (NSS) family of membrane proteins that are responsible for reuptake of neurotransmitters from the synaptic cleft to terminate a neuronal signal and enable subsequent neurotransmitter release from the presynaptic neuron. The release of one sodium ion from the crystallographically determined sodium binding site Na2 had been identified as an initial step in the transport cycle which prepares the transporter for substrate translocation by stabilizing an inward-open conformation. We have constructed Markov State Models (MSMs) from extensive molecular dynamics simulations of human DAT (hDAT) to explore the mechanism of this sodium release. Our results quantify the release process triggered by hydration of the Na2 site that occurs concomitantly with a conformational transition from an outward-facing to an inward-facing state of the transporter. The kinetics of the release process are computed from the MSM, and transition path theory is used to identify the most probable sodium release pathways. An intermediate state is discovered on the sodium release pathway, and the results reveal the importance of various modes of interaction of the N-terminus of hDAT in controlling the pathways of release.

  9. Angular momentum transport and particle acceleration during magnetorotational instability in a kinetic accretion disk.

    Science.gov (United States)

    Hoshino, Masahiro

    2015-02-13

    Angular momentum transport and particle acceleration during the magnetorotational instability (MRI) in a collisionless accretion disk are investigated using three-dimensional particle-in-cell simulation. We show that the kinetic MRI can provide not only high-energy particle acceleration but also enhancement of angular momentum transport. We find that the plasma pressure anisotropy inside the channel flow with p(∥)>p(⊥) induced by active magnetic reconnection suppresses the onset of subsequent reconnection, which, in turn, leads to high-magnetic-field saturation and enhancement of the Maxwell stress tensor of angular momentum transport. Meanwhile, during the quiescent stage of reconnection, the plasma isotropization progresses in the channel flow and the anisotropic plasma with p(⊥)>p(∥) due to the dynamo action of MRI outside the channel flow contribute to rapid reconnection and strong particle acceleration. This efficient particle acceleration and enhanced angular momentum transport in a collisionless accretion disk may explain the origin of high-energy particles observed around massive black holes.

  10. Superconductor Microwave Kinetic Inductance Detectors: System Model of the Readout Electronics

    Directory of Open Access Journals (Sweden)

    F. Alimenti

    2009-06-01

    Full Text Available This paper deals with the readout electronics needed by superconductor Microwave Kinetic Inductance Detectors (MKIDs. MKIDs are typically implemented in the form of cryogenic-cooled high quality factor microwave resonator. The natural frequency of these resonators changes as a millimeter or sub-millimeter wave radiation impinges on the resonator itself. A quantitative system model of the readout electronics (very similar to that of a vector network analyzer has been implemented under ADS environment and tested by several simulation experiments. The developed model is a tool to further optimize the readout electronic and to design the frequency allocation of parallel-connected MKIDs resonators. The applications of MKIDs will be in microwave and millimeter-wave radiometric imaging as well as in radio-astronomy focal plane arrays.

  11. Kinetic energy spectra in thermionic emission from small tungsten cluster anions: evidence for nonclassical electron capture.

    Science.gov (United States)

    Concina, Bruno; Baguenard, Bruno; Calvo, Florent; Bordas, Christian

    2010-03-14

    The delayed electron emission from small mass-selected anionic tungsten clusters W(n)(-) has been studied for sizes in the range 9 < or = n < or = 21. Kinetic energy spectra have been measured for delays of about 100 ns after laser excitation by a velocity-map imaging spectrometer. They are analyzed in the framework of microreversible statistical theories. The low-energy behavior shows some significant deviations with respect to the classical Langevin capture model, which we interpret as possibly due to the influence of quantum dynamical effects such as tunneling through the centrifugal barrier, rather than shape effects. The cluster temperature has been extracted from both the experimental kinetic energy spectrum and the absolute decay rate. Discrepancies between the two approaches suggest that the sticking probability can be as low as a few percent for the smallest clusters.

  12. Electronic transport properties of carbon nanotube metal-semiconductor-metal

    Directory of Open Access Journals (Sweden)

    F Khoeini

    2008-07-01

    Full Text Available  In this work, we study electronic transport properties of a quasi-one dimensional pure semi-conducting Zigzag Carbon Nanotube (CNT attached to semi-infinite clean metallic Zigzag CNT leads, taking into account the influence of topological defect in junctions. This structure may behave like a field effect transistor. The calculations are based on the tight-binding model and Green’s function method, in which the local density of states(LDOS in the metallic section to semi-conducting section, and muli-channel conductance of the system are calculated in the coherent and linear response regime, numerically. Also we have introduced a circuit model for the system and investigated its current. The theoretical results obtained, can be a base, for developments in designing nano-electronic devices.

  13. Electronic structure, transport, and collective effects in molecular layered systems

    Directory of Open Access Journals (Sweden)

    Torsten Hahn

    2017-10-01

    Full Text Available The great potential of organic heterostructures for organic device applications is exemplified by the targeted engineering of the electronic properties of phthalocyanine-based systems. The transport properties of two different phthalocyanine systems, a pure copper phthalocyanine (CoPc and a flourinated copper phthalocyanine–manganese phthalocyanine (F16CoPc/MnPc heterostructure, are investigated by means of density functional theory (DFT and the non-equilibrium Green’s function (NEGF approach. Furthermore, a master-equation-based approach is used to include electronic correlations beyond the mean-field-type approximation of DFT. We describe the essential theoretical tools to obtain the parameters needed for the master equation from DFT results. Finally, an interacting molecular monolayer is considered within a master-equation approach.

  14. Behaviour of fast electron transport in solid targets

    Science.gov (United States)

    Koenig, M.; Baton, S. D.; Benuzzi-Mounaix, A.; Fuchs, J.; Loupias, B.; Guillou, P.; Batani, D.; Morace, A.; Piazza, D.; Kodama, R.; Norimatsu, T.; Nakatsutsumi, M.; Aglitskiy, Y.; Rousseaux, C.

    2006-06-01

    One of the main issues of the fast ignitor scheme is the role of fast electron transport in the solid fuel heating. Recent experiments used a new target scheme based on the use of cone to guide the PW laser and enhance the electron production. In this context it is fundamental to understand the physics underlying this new target scheme. We report here recent and preliminary results of ultra-intense laser pulse interaction with three layer targets in presence of the cone or without. Experiments have been performed at LULI with the 100 TW laser facility, at intensities up to 3 1019 W/cm2. Several diagnostics have been implemented (2D Kα imaging, Kα spectroscopy and rear side imaging, protons emission) to quantify the cone effect.

  15. Density-functional method for nonequilibrium electron transport

    DEFF Research Database (Denmark)

    Brandbyge, Mads; Mozos, J.L.; Ordejon, P.

    2002-01-01

    We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is based on the density-functional theory (DFT) as implemented...... the contact and the electrodes on the same footing. The effect of the finite bias (including self-consistency and the solution of the electrostatic problem) is taken into account using nonequilibrium Green's functions. We relate the nonequilibrium Green's function expressions to the more transparent scheme...... wires connected to aluminum electrodes with extended or finite cross section, (ii) single atom gold wires, and finally (iii) large carbon nanotube systems with point defects....

  16. Computational aspects of electronic transport in nanoscale devices

    DEFF Research Database (Denmark)

    Sørensen, Hans Henrik Brandenborg

    2008-01-01

    is for the calculation of the block tridiagonal matrix inverse of a block tridiagonal matrix in O(N) operations. This algorithm also leads to an optimal evaluation of the frequently used Caroli transmission formula. A modified wave function matching scheme is then developed which allows for a significant reduction......This thesis is concerned with the modeling of electronic properties of nano-scale devices. In particular the computational aspects of calculating the transmission and current-voltage characteristics of Landauer-Büttiker two-probe systems are in focus. To begin with, the main existing methods...... are described in detail and benchmarked. These are the Green’s function method and the wave function matching method. The methods are subsequently combined in a hybrid scheme in order to benefit from a common formalism. The most time demanding stages of common electronic transport calculations are identified...

  17. Modified Monte Carlo method for study of electron transport in degenerate electron gas in the presence of electron-electron interactions, application to graphene

    Science.gov (United States)

    Borowik, Piotr; Thobel, Jean-Luc; Adamowicz, Leszek

    2017-07-01

    Standard computational methods used to take account of the Pauli Exclusion Principle into Monte Carlo (MC) simulations of electron transport in semiconductors may give unphysical results in low field regime, where obtained electron distribution function takes values exceeding unity. Modified algorithms were already proposed and allow to correctly account for electron scattering on phonons or impurities. Present paper extends this approach and proposes improved simulation scheme allowing including Pauli exclusion principle for electron-electron (e-e) scattering into MC simulations. Simulations with significantly reduced computational cost recreate correct values of the electron distribution function. Proposed algorithm is applied to study transport properties of degenerate electrons in graphene with e-e interactions. This required adapting the treatment of e-e scattering in the case of linear band dispersion relation. Hence, this part of the simulation algorithm is described in details.

  18. The role of electron interfacial transfer in mesoporous nano-TiO2photocatalysis: a combined study of in situ photoconductivity and numerical kinetic simulation.

    Science.gov (United States)

    Liu, Baoshun; Yang, Jingjing; Zhao, Xiujian; Yu, Jiaguo

    2017-03-29

    In this research, a combination of in situ photoconductivity (σ) and kinetic simulations was used to study the role of electron interfacial transfer (IT) in the gaseous photocatalysis of formic acid by mesoporous nanocrystalline TiO 2 . The effects of light intensity, initial formic acid concentrations, oxygen amounts, and temperature on the in situ σ and the photocatalytic courses were studied in detail. The temperature dependence of in situ σ clearly shows that the electron transfer is determined by the IT of electrons to O 2 rather than by the transport. It was seen that the electron IT limits the photocatalysis by correlating with the recombination and the hole IT via the dynamic change in electron densities. The numerical simulation of in situ σ shows that the IT of electrons belongs to a thermally activated process that presents a thermal barrier of 0.5 eV. It is considered that this high thermal barrier limits the IT of electrons. It was also seen that the thermal activation of photocatalysis does not relate to that of the electron IT, although the overall photocatalysis is limited by the IT of electrons. Our finding shows that it is an effective way to increase the photocatalytic activity by reducing the thermal barrier of electron IT.

  19. Attosecond photoelectron spectroscopy of electron transport in solids

    Energy Technology Data Exchange (ETDEWEB)

    Magerl, Elisabeth

    2011-03-31

    Time-resolved photoelectron spectroscopy of condensed matter systems in the attosecond regime promises new insights into excitation mechanisms and transient dynamics of electrons in solids. This timescale became accessible directly only recently with the development of the attosecond streak camera and of laser systems providing few-cycle, phase-controlled laser pulses in the near-infrared, which are used to generate isolated, sub-femtosecond extreme-ultraviolet pulses with a well-defined timing with respect to the near-infrared pulse. Employing these pulses, the attosecond streak camera offers time resolutions as short as a few 10 attoseconds. In the framework of this thesis, a new, versatile experimental apparatus combining attosecond pulse generation in gases with state of the art surface science techniques is designed, constructed, and commissioned. Employing this novel infrastructure and the technique of the attosecond transient recorder, we investigate transport phenomena occurring after photoexcitation of electrons in tungsten and rhenium single crystals and show that attosecond streaking is a unique method for resolving extremely fast electronic phenomena in solids. It is demonstrated that electrons originating from different energy levels, i.e. from the conduction band and the 4f core level, are emitted from the crystal surface at different times. The origin of this time delay, which is below 150 attoseconds for all studied systems, is investigated by a systematic variation of several experimental parameters, in particular the photon energy of the employed attosecond pulses. These experimental studies are complemented by theoretical studies of the group velocity of highly-excited electrons based on ab initio calculations. While the streaking technique applied on single crystals can provide only information about the relative time delay between two types of photoelectrons, the absolute transport time remains inaccessible. We introduce a scheme of a reference

  20. One-Dimensional Electron Transport Layers for Perovskite Solar Cells

    Directory of Open Access Journals (Sweden)

    Ujwal K. Thakur

    2017-04-01

    Full Text Available The electron diffusion length (Ln is smaller than the hole diffusion length (Lp in many halide perovskite semiconductors meaning that the use of ordered one-dimensional (1D structures such as nanowires (NWs and nanotubes (NTs as electron transport layers (ETLs is a promising method of achieving high performance halide perovskite solar cells (HPSCs. ETLs consisting of oriented and aligned NWs and NTs offer the potential not merely for improved directional charge transport but also for the enhanced absorption of incoming light and thermodynamically efficient management of photogenerated carrier populations. The ordered architecture of NW/NT arrays affords superior infiltration of a deposited material making them ideal for use in HPSCs. Photoconversion efficiencies (PCEs as high as 18% have been demonstrated for HPSCs using 1D ETLs. Despite the advantages of 1D ETLs, there are still challenges that need to be overcome to achieve even higher PCEs, such as better methods to eliminate or passivate surface traps, improved understanding of the hetero-interface and optimization of the morphology (i.e., length, diameter, and spacing of NWs/NTs. This review introduces the general considerations of ETLs for HPSCs, deposition techniques used, and the current research and challenges in the field of 1D ETLs for perovskite solar cells.

  1. Plasmonic hot electron transport drives nano-localized chemistry

    Science.gov (United States)

    Cortés, Emiliano; Xie, Wei; Cambiasso, Javier; Jermyn, Adam S.; Sundararaman, Ravishankar; Narang, Prineha; Schlücker, Sebastian; Maier, Stefan A.

    2017-03-01

    Nanoscale localization of electromagnetic fields near metallic nanostructures underpins the fundamentals and applications of plasmonics. The unavoidable energy loss from plasmon decay, initially seen as a detriment, has now expanded the scope of plasmonic applications to exploit the generated hot carriers. However, quantitative understanding of the spatial localization of these hot carriers, akin to electromagnetic near-field maps, has been elusive. Here we spatially map hot-electron-driven reduction chemistry with 15 nm resolution as a function of time and electromagnetic field polarization for different plasmonic nanostructures. We combine experiments employing a six-electron photo-recycling process that modify the terminal group of a self-assembled monolayer on plasmonic silver nanoantennas, with theoretical predictions from first-principles calculations of non-equilibrium hot-carrier transport in these systems. The resulting localization of reactive regions, determined by hot-carrier transport from high-field regions, paves the way for improving efficiency in hot-carrier extraction science and nanoscale regio-selective surface chemistry.

  2. Electron transport in stepped Bi2Se3 thin films

    Science.gov (United States)

    Bauer, S.; Bobisch, C. A.

    2017-08-01

    We analyse the electron transport in a 16 quintuple layer thick stepped Bi2Se3 film grown on Si(1 1 1) by means of scanning tunnelling potentiometry (STP) and multi-point probe measurements. Scanning tunnelling microscopy images reveal that the local structure of the Bi2Se3 film is dominated by terrace steps and domain boundaries. From a microscopic study on the nm scale by STP, we find a mostly linear gradient of the voltage on the Bi2Se3 terraces which is interrupted by voltage drops at the position of the domain boundaries. The voltage drops indicate that the domain boundaries are scatterers for the electron transport. Macroscopic resistance measurements (2PP and in-line 4PP measurement) on the µm scale support the microscopic results. An additional rotational square 4PP measurement shows an electrical anisotropy of the sheet conductance parallel and perpendicular to the Bi2Se3 steps of about 10%. This is a result of the anisotropic step distribution at the stepped Bi2Se3 surface while domain boundaries are distributed isotropically. The determined value of the conductivity of the Bi2Se3 steps of about 1000 S cm-1 verifies the value of an earlier STP study.

  3. Electronic transport properties of copper and gold at atomic scale

    Energy Technology Data Exchange (ETDEWEB)

    Mohammadzadeh, Saeideh

    2010-11-23

    The factors governing electronic transport properties of copper and gold atomic-size contacts are theoretically examined in the present work. A two-terminal conductor using crystalline electrodes is adopted. The non-equilibrium Green's function combined with the density functional tight-binding method is employed via gDFTB simulation tool to calculate the transport at both equilibrium and non-equilibrium conditions. The crystalline orientation, length, and arrangement of electrodes have very weak influence on the electronic characteristics of the considered atomic wires. The wire width is found to be the most effective geometric aspect determining the number of conduction channels. The obtained conductance oscillation and linear current-voltage curves are interpreted. To analyze the conduction mechanism in detail, the transmission channels and their decomposition to the atomic orbitals are calculated in copper and gold single point contacts. The presented results offer a possible explanation for the relation between conduction and geometric structure. Furthermore, the results are in good agreement with available experimental and theoretical studies. (orig.)

  4. Electron transport in coupled double quantum wells and wires

    Energy Technology Data Exchange (ETDEWEB)

    Harff, N.E.; Simmons, J.A.; Lyo, S.K. [and others

    1997-04-01

    Due to inter-quantum well tunneling, coupled double quantum wells (DQWs) contain an extra degree of electronic freedom in the growth direction, giving rise to new transport phenomena not found in single electron layers. This report describes work done on coupled DQWs subject to inplane magnetic fields B{sub {parallel}}, and is based on the lead author`s doctoral thesis, successfully defended at Oregon State University on March 4, 1997. First, the conductance of closely coupled DQWs in B{sub {parallel}} is studied. B{sub {parallel}}-induced distortions in the dispersion, the density of states, and the Fermi surface are described both theoretically and experimentally, with particular attention paid to the dispersion anticrossing and resulting partial energy gap. Measurements of giant distortions in the effective mass are found to agree with theoretical calculations. Second, the Landau level spectra of coupled DQWs in tilted magnetic fields is studied. The magnetoresistance oscillations show complex beating as Landau levels from the two Fermi surface components cross the Fermi level. A third set of oscillations resulting from magnetic breakdown is observed. A semiclassical calculation of the Landau level spectra is then performed, and shown to agree exceptionally well with the data. Finally, quantum wires and quantum point contacts formed in DQW structures are investigated. Anticrossings of the one-dimensional DQW dispersion curves are predicted to have interesting transport effects in these devices. Difficulties in sample fabrication have to date prevented experimental verification. However, recently developed techniques to overcome these difficulties are described.

  5. Electronic transport in the multi-terminal graphene nanodevices

    Energy Technology Data Exchange (ETDEWEB)

    Ye, En-Jia [Zhejiang Institute of Modern Physics, Zhejiang University, Hangzhou, 310027 (China); Lan, Jin; Sui, Wen-Quan [Zhejiang–California International Nanosystem Institute, Electronic Department, Zhejiang University, Hangzhou, 310029 (China); Sun, Chang Q. [School of Electric and Electronic Engineering, Nanyang Technological University, Singapore, 639798 (Singapore); Zhao, Xuean, E-mail: zhaoxa@zju.edu.cn [Zhejiang Institute of Modern Physics, Zhejiang University, Hangzhou, 310027 (China)

    2012-07-30

    We examined the ac transport attribute of the multi-terminal structures in the absence and presence of magnetic field. We found that the ac response depends on the structural configurations and that the admittance varies with the features of the attached nanoribbons. In the vicinity of Dirac point the dc conductance manifests a dip or peak and the imaginary part (emittance) vanishes or not, depending on whether the attached ribbon is semiconductive or metallic. In the presence of magnetic field, the emittance becomes asymmetric reflecting the dynamic behaviors of electron and hole. -- Highlights: ► Ac transport of multi-terminal graphene nanoribbon structures is studied in the absence and presence of magnetic field. ► The admittances of the devices are related to the configurations of attached ribbons. ► The negative and positive signs of the imaginary part of admittance (emittance) relate to the capacitive and inductive responses of the system. ► In the presence of magnetic field, emittance becomes asymmetric reflecting the dynamic behaviors of electron and hole.

  6. One-Dimensional Electron Transport Layers for Perovskite Solar Cells

    Science.gov (United States)

    Thakur, Ujwal K.; Kisslinger, Ryan; Shankar, Karthik

    2017-01-01

    The electron diffusion length (Ln) is smaller than the hole diffusion length (Lp) in many halide perovskite semiconductors meaning that the use of ordered one-dimensional (1D) structures such as nanowires (NWs) and nanotubes (NTs) as electron transport layers (ETLs) is a promising method of achieving high performance halide perovskite solar cells (HPSCs). ETLs consisting of oriented and aligned NWs and NTs offer the potential not merely for improved directional charge transport but also for the enhanced absorption of incoming light and thermodynamically efficient management of photogenerated carrier populations. The ordered architecture of NW/NT arrays affords superior infiltration of a deposited material making them ideal for use in HPSCs. Photoconversion efficiencies (PCEs) as high as 18% have been demonstrated for HPSCs using 1D ETLs. Despite the advantages of 1D ETLs, there are still challenges that need to be overcome to achieve even higher PCEs, such as better methods to eliminate or passivate surface traps, improved understanding of the hetero-interface and optimization of the morphology (i.e., length, diameter, and spacing of NWs/NTs). This review introduces the general considerations of ETLs for HPSCs, deposition techniques used, and the current research and challenges in the field of 1D ETLs for perovskite solar cells. PMID:28468280

  7. Electronic coherence and the kinetics of inter-complex energy transfer in light-harvesting systems.

    Science.gov (United States)

    Huo, Pengfei; Miller, Thomas F

    2015-12-14

    We apply real-time path-integral dynamics simulations to characterize the role of electronic coherence in inter-complex excitation energy transfer (EET) processes. The analysis is performed using a system-bath model that exhibits the essential features of light-harvesting networks, including strong intra-complex electronic coupling and weak inter-complex coupling. Strong intra-complex coupling is known to generate both static and dynamic electron coherences, which delocalize the exciton over multiple chromophores and potentially influence the inter-complex EET dynamics. With numerical results from partial linearized density matrix (PLDM) real-time path-integral calculations, it is found that both static and dynamic coherence are correlated with the rate of inter-complex EET. To distinguish the impact of these two types of intra-complex coherence on the rate of inter-complex EET, we use Multi-Chromophore Förster Resonance Energy Transfer (MC-FRET) theory to map the original parameterization of the system-bath model to an alternative parameterization for which the effects of static coherence are preserved while the effects of dynamic coherence are largely eliminated. It is then shown that both parameterizations of the model (i.e., the original that supports dynamic coherence and the alternative that eliminates it), exhibit nearly identical EET kinetics and population dynamics over a wide range of parameters. These observations are found to hold for cases in which either the EET donor or acceptor is a dimeric complex and for cases in which the dimeric complex is either symmetric or asymmetric. The results from this study suggest that dynamic coherence plays only a minor role in the actual kinetics of inter-complex EET, whereas static coherence largely governs the kinetics of incoherent inter-complex EET in light-harvesting networks.

  8. Electron kinetics dependence on gas pressure in laser-induced oxygen plasma experiment: Theoretical analysis

    Science.gov (United States)

    Gamal, Yosr E. E.-D.; Abdellatif, Galila

    2017-08-01

    A study is performed to investigate the dependency of threshold intensity on gas pressure observed in the measurements of the breakdown of molecular oxygen that carried out by Phuoc (2000) [1]. In this experiment, the breakdown was induced by 532 nm laser radiation of pulse width 5.5 ns and spot size of 8.5 μm, in oxygen over a wide pressure range (190-3000 Torr). The analysis aimed to explore the electron kinetic reliance on gas pressure for the separate contribution of each of the gain and loss processes encountered in this study. The investigation is based on an electron cascade model applied previously in Gamal and Omar (2001) [2] and Gaabour et al. (2013) [3]. This model solves numerically a differential equation designates the time evolution of the electron energy distribution, and a set of rate equations that describe the change of excited states population. The numerical examination of the electron energy distribution function and its parameters revealed that photo-ionization of the excited molecules plays a significant role in enhancing the electron density growth rate over the whole tested gas pressure range. This process is off set by diffusion of electrons out of the focal volume in the low-pressure regime. At atmospheric pressure electron, collisional processes dominate and act mainly to populate the excited states. Hence photo-ionization becomes efficient and compete with the encountered loss processes (electron diffusion, vibrational excitation of the ground state molecules as well as two body attachments). At high pressures ( 3000 Torr) three body attachments are found to be the primary cause of losses which deplete the electron density and hence results in the slow decrease of the threshold intensity.

  9. Physiological Functions of Cyclic Electron Transport Around Photosystem I in Sustaining Photosynthesis and Plant Growth.

    Science.gov (United States)

    Yamori, Wataru; Shikanai, Toshiharu

    2016-04-29

    The light reactions in photosynthesis drive both linear and cyclic electron transport around photosystem I (PSI). Linear electron transport generates both ATP and NADPH, whereas PSI cyclic electron transport produces ATP without producing NADPH. PSI cyclic electron transport is thought to be essential for balancing the ATP/NADPH production ratio and for protecting both photosystems from damage caused by stromal overreduction. Two distinct pathways of cyclic electron transport have been proposed in angiosperms: a major pathway that depends on the PROTON GRADIENT REGULATION 5 (PGR5) and PGR5-LIKE PHOTOSYNTHETIC PHENOTYPE 1 (PGRL1) proteins, which are the target site of antimycin A, and a minor pathway mediated by the chloroplast NADH dehydrogenase-like (NDH) complex. Recently, the regulation of PSI cyclic electron transport has been recognized as essential for photosynthesis and plant growth. In this review, we summarize the possible functions and importance of the two pathways of PSI cyclic electron transport.

  10. Approach Matters: The Kinetics of Interfacial Inverse-Electron Demand Diels-Alder Reactions.

    Science.gov (United States)

    Sen, Rickdeb; Gahtory, Digvijay; Escorihuela, Jorge; Firet, Judith; Pujari, Sidharam P; Zuilhof, Han

    2017-09-21

    Rapid and quantitative click functionalization of surfaces remains an interesting challenge in surface chemistry. In this regard, inverse electron demand Diels-Alder (IEDDA) reactions represent a promising metal-free candidate. Herein, we reveal quantitative surface functionalization within 15 min. Furthermore, we report the comprehensive effects of substrate stereochemistry, surrounding microenvironment and substrate order on the reaction kinetics as obtained by surface-bound mass spectrometry (DART-HRMS). © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  11. Electronic Interactions of n-Doped Perylene Diimide Groups Appended to Polynorbornene Chains: Implications for Electron Transport in Organic Electronics.

    Science.gov (United States)

    Nguyen, Minh T; Biberdorf, Joshua D; Holliday, Bradley J; Jones, Richard A

    2017-11-01

    A polymer consisting of a polynorbornene backbone with perylene diimide (PDI) pendant groups on each monomeric unit is synthesized via ring opening metathesis polymerization. The PDI pendant groups along the polymer backbone, studied by UV-vis absorption, fluorescence emission, and electron paramagnetic resonance spectroscopy in addition to electrochemical methods, show evidence of molecular aggregation and corresponding electronic coupling with neighboring groups, which forms pathways for efficient electron transport from one group to another in a specific reduced form. When n-doped, the title polymer shows redox conductivity of 5.4 × 10-3 S cm-1 , comparable with crystalline PDI materials, and is therefore a promising material for use in organic electronics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Effects of metallic contacts on electron transport through graphene

    Science.gov (United States)

    Barraza-Lopez, Salvador; Vanevic, Mihajlo; Kindermann, Markus; Chou, Mei-Yin

    2010-03-01

    Despite their undoubted importance in eventual graphene electronics, theoretical studies of the specific features of electron transport through graphene between metal contacts are in their first stages. In order to bridge this gap we perform a first-principles based, non-equilibrium Green's functions study of the conductance through graphene junctions suspended between noncovalent aluminum contacts as a function of the distance L between metal leads and the width W (up to 100 nm) of the junction. Electron-hole asymmetry is obtained as a consequence of doping at the leads. Furthermore, the doping in graphene originated by charge transfer from metals at the leads results in two conductance minima at the energies of the crossing of the linear bands in suspended and clamped graphene, for sufficiently large L. We present a tight-binding model that accounts for the first-principles results and can be employed for larger lengths and widths of the junctions up to experimental accessible values and for arbitrary noncovalent-bonding metal leads.

  13. Kinetic Alfven Waves Carrying Intense Field Aligned Currents: Particle Trapping and Electron Acceleration

    Science.gov (United States)

    Rankin, R.; Artemyev, A.

    2015-12-01

    It is now common knowledge that dispersive scale Alfvén waves can drive parallel electron acceleration [Lotko et al., JGR, 1998; Samson et al., Ann. Geophys., 2003; Wygant et al., JGR, 2002] and transverse ion energization in the auroral zone and inner magnetosphere [Johnson and Cheng, JGR, 2001; Chaston et al., 2004]. In this paper we show that relatively low energy electrons (plasma sheet electrons with energies ranging up to ˜100 eV) can be accelerated very efficiently as they interact nonlinearly with kinetic Alfvén waves (KAWs) that carry intense field aligned currents from the equatorial plane toward the ionosphere in the inner magnetosphere. We propose a theoretical model describing electron trapping into an effective wave potential generated by parallel wave electric fields (with perpendicular wavelengths on the order of the ion gyro-radius) and the mirror force acting on electrons as they propagate along geomagnetic field lines. We demonstrate that waves with an electric potential amplitude between ~100 - 400 V can trap and accelerate electrons to energies approaching several keVs. Trapping acceleration corresponds to conservation of the electron magnetic moment and, thus, results in a significant decrease of the electron equatorial pitch-angle with time. Analytical and numerical estimates of the maximum energy and probability of trapping are presented. We discuss the application of the proposed model in light of recent observations of electromagnetic fluctuations in the inner magnetosphere that are present during periods of strong geomagnetic activity [Chaston et al., GRL, 2014; Califf et al., JGR, 2015].

  14. Electron-electron interaction, weak localization and spin valve effect in vertical-transport graphene devices

    Energy Technology Data Exchange (ETDEWEB)

    Long, Mingsheng; Gong, Youpin; Wei, Xiangfei; Zhu, Chao; Xu, Jianbao; Liu, Ping; Guo, Yufen; Li, Weiwei; Liu, Liwei, E-mail: lwliu2007@sinano.ac.cn [Key Laboratory of Nanodevices and Applications-CAS and Collaborative Innovation Center of Suzhou Nano Science and Technology, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (CAS), Suzhou 215123 (China); Liu, Guangtong [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2014-04-14

    We fabricated a vertical structure device, in which graphene is sandwiched between two asymmetric ferromagnetic electrodes. The measurements of electron and spin transport were performed across the combined channels containing the vertical and horizontal components. The presence of electron-electron interaction (EEI) was found not only at low temperatures but also at moderate temperatures up to ∼120 K, and EEI dominates over weak localization (WL) with and without applying magnetic fields perpendicular to the sample plane. Moreover, spin valve effect was observed when magnetic filed is swept at the direction parallel to the sample surface. We attribute the EEI and WL surviving at a relatively high temperature to the effective suppress of phonon scattering in the vertical device structure. The findings open a way for studying quantum correlation at relatively high temperature.

  15. Statistics and kinetics of single-molecule electron transfer dynamics in complex environments: a simulation model study.

    Science.gov (United States)

    Paula, Luciana C; Wang, Jin; Leite, Vitor B P

    2008-12-14

    Dynamics of the environments of complex systems such as biomolecules, polar solvents, and glass plays an important role in controlling electron transfer reactions. The kinetics is determined by the nature of a complex multidimensional landscape. By quantifying the mean and high-order statistics of the first-passage time and the associated ratios, the dynamics in electron transfer reactions controlled by the environments can be revealed. We consider real experimental conditions with finite observation time windows. At high temperatures, exponential kinetics is observed and there are multiple kinetic paths leading to the product state. At and below an intermediate temperature, nonexponential kinetics starts to appear, revealing the nature of the distribution of local traps on the landscape. Discrete kinetic paths emerge. At very low temperatures, nonexponential kinetics continues to be observed. We point out that the size of the observational time window is crucial in revealing the intrinsic nature of the real kinetics. The mean first-passage time is defined as a characteristic time. Only when the observational time window is significantly larger than this characteristic time does one have the opportunity to collect enough statistics to capture rare statistical fluctuations and characterize the kinetics accurately.

  16. Understanding the reaction of nuclear graphite with molecular oxygen: Kinetics, transport, and structural evolution

    Science.gov (United States)

    Kane, Joshua J.; Contescu, Cristian I.; Smith, Rebecca E.; Strydom, Gerhard; Windes, William E.

    2017-09-01

    For the next generation of nuclear reactors, HTGRs specifically, an unlikely air ingress warrants inclusion in the license applications of many international regulators. Much research on oxidation rates of various graphite grades under a number of conditions has been undertaken to address such an event. However, consequences to the reactor result from the microstructural changes to the graphite rather than directly from oxidation. The microstructure is inherent to a graphite's properties and ultimately degradation to the graphite's performance must be determined to establish the safety of reactor design. To understand the oxidation induced microstructural change and its corresponding impact on performance, a thorough understanding of the reaction system is needed. This article provides a thorough review of the graphite-molecular oxygen reaction in terms of kinetics, mass and energy transport, and structural evolution: all three play a significant role in the observed rate of graphite oxidation. These provide the foundations of a microstructurally informed model for the graphite-molecular oxygen reaction system, a model kinetically independent of graphite grade, and capable of describing both the observed and local oxidation rates under a wide range of conditions applicable to air-ingress.

  17. A comprehensive detailed kinetic mechanism for the simulation of transportation fuels

    KAUST Repository

    Mehl, Marco

    2017-02-27

    This work presents a recently compiled comprehensive model for transportations fuels resulting from the collaboration of three research groups: LLNL, NUI Galway and KAUST. In the past 5 years new fundamental calculations led to significant improvements in the fidelity of detailed kinetic models of important surrogate components (e.g. n-heptane, iso-octane, toluene…) improving predictions of the combustion behavior of pure components and mixtures. By extending the newly adopted reaction rate rules, mechanisms for components that were not included in the previous LLNL gasoline and diesel surrogate mechanisms were developed (e.g. polyalkylated aromatics, cycloalkanes, components from bio-logical sources…). The major features of this updated and extended model are presented together with validation comparisons, examples of applications and future directions.

  18. Modeling and character analyzing of current-controlled memristors with fractional kinetic transport

    Science.gov (United States)

    Si, Gangquan; Diao, Lijie; Zhu, Jianwei; Lei, Yuhang; Babajide, Oresanya; Zhang, Yanbin

    2017-07-01

    Memristors have come into limelight again after it was realized by HP researchers. This paper proposes a memristor model which can be called fractional-order current-controlled memristor, and it is more general and comprehensive. We introduce the fractional integral/differential to the current-controlled memristor model and model memristor with fractional kinetic of charge transport. An interesting phenomena found out is that the I-V characteristic is a triple-loop curve (0 fractional order α and time(t), and it reach saturation faster when 0 orders α and frequencies ω, which increase with α increasing and ω decreasing. More importantly, the memristors can't reach the Rmax in some cases. Energy loss of the model is analyzed, and the I-P curves isn't origin-symmetric when 0 < α < 1 which is very different with curves when α = 1 .

  19. Kinetics of Chromium(III Transport Through a Liquid Membrane Containing DNNSA as a Carrier

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available Kinetics of Cr(III ions transport through a bulk liquid membrane containing dinonylnaphthalenesulfonic acid (DNNSA as a carrier, flowing over aqueous phases, has been examined. Special attention has been paid to the effect of the membrane’s velocity flow on the chromium concentration decrease in a feed phase. For the description of relationships of chromium(III concentration in particular phases with the time, a model based on the assumption of consecutive first-order reactions was proposed. Satisfactory compatibility of experiments and model results have been obtained both for the membrane flow velocities below 0.0034 m·s-1 when the interfaces begin to fluctuate slightly and for low initial Cr(III concentration in the feed phase.

  20. Initiation and modification of reaction by energy addition: Kinetic and transport phenomena

    Science.gov (United States)

    Fendell, Francis E.; Chou, Mau-Song

    1993-10-01

    Work has been pursued, by application of the fundamental principles of chemical kinetics and fluid transport, on a 'proof-of-principle' for a novel oblique-detonation-wave-engine (ODWE) as an alternative to a mixing-controlled supersonic combustor. The concept involves the nonintrusive stabilization of a conical detonation wave. Laser technology permits the rapidly repeated pulsed deposition of energy at a fixed site on the axis of symmetry of a supersonically flowing, combustible mixture. Each pulse suffices for the direct initiation of a radially-, outwardly-propagating, Chapman-Jouguet detonation wave. The interaction of the individual spherical waves, as the periodic train is convected by the flow, results in a nonintrusively stabilized conical wave as the time interval between the very brief pulses decreases. The detonated gas may be expanded in a supersonic nozzle (of practical length) for discharge at ambient pressure, such that thrust is generated.

  1. Kinetics of Chromium(III) Transport Through a Liquid Membrane Containing DNNSA as a Carrier

    Science.gov (United States)

    Religa, Paweł; Gawroński, Roman; Gierycz, Paweł

    2009-01-01

    Kinetics of Cr(III) ions transport through a bulk liquid membrane containing dinonylnaphthalenesulfonic acid (DNNSA) as a carrier, flowing over aqueous phases, has been examined. Special attention has been paid to the effect of the membrane’s velocity flow on the chromium concentration decrease in a feed phase. For the description of relationships of chromium(III) concentration in particular phases with the time, a model based on the assumption of consecutive first-order reactions was proposed. Satisfactory compatibility of experiments and model results have been obtained both for the membrane flow velocities below 0.0034 m·s−1 when the interfaces begin to fluctuate slightly and for low initial Cr(III) concentration in the feed phase. PMID:19399232

  2. On the application of quantum transport theory to electron sources.

    Science.gov (United States)

    Jensen, Kevin L

    2003-01-01

    Electron sources (e.g., field emitter arrays, wide band-gap (WBG) semiconductor materials and coatings, carbon nanotubes, etc.) seek to exploit ballistic transport within the vacuum after emission from microfabricated structures. Regardless of kind, all sources strive to minimize the barrier to electron emission by engineering material properties (work function/electron affinity) or physical geometry (field enhancement) of the cathode. The unique capabilities of cold cathodes, such as instant ON/OFF performance, high brightness, high current density, large transconductance to capacitance ratio, cold emission, small size and/or low voltage operation characteristics, commend their use in several advanced devices when physical size, weight, power consumption, beam current, and pulse repletion frequency are important, e.g., RF power amplifier such as traveling wave tubes (TWTs) for radar and communications, electrodynamic tethers for satellite deboost/reboost, and electric propulsion systems such as Hall thrusters for small satellites. The theoretical program described herein is directed towards models to evaluate emission current from electron sources (in particular, emission from WBG and Spindt-type field emitter) in order to assess their utility, capabilities and performance characteristics. Modeling efforts particularly include: band bending, non-linear and resonant (Poole-Frenkel) potentials, the extension of one-dimensional theory to multi-dimensional structures, and emission site statistics due to variations in geometry and the presence of adsorbates. Two particular methodologies, namely, the modified Airy approach and metal-semiconductor statistical hyperbolic/ellipsoidal model, are described in detail in their present stage of development.

  3. Coupled transport and reaction kinetics control the nitrate source-sink function of hyporheic zones

    Science.gov (United States)

    Zarnetske, Jay P.; Haggerty, Roy; Wondzell, Steven M.; Bokil, Vrushali A.; GonzáLez-Pinzón, Ricardo

    2012-11-01

    The fate of biologically available nitrogen (N) and carbon (C) in stream ecosystems is controlled by the coupling of physical transport and biogeochemical reaction kinetics. However, determining the relative role of physical and biogeochemical controls at different temporal and spatial scales is difficult. The hyporheic zone (HZ), where groundwater-stream water mix, can be an important location controlling N and C transformations because it creates strong gradients in both the physical and biogeochemical conditions that control redox biogeochemistry. We evaluated the coupling of physical transport and biogeochemical redox reactions by linking an advection, dispersion, and residence time model with a multiple Monod kinetics model simulating the concentrations of oxygen (O2), ammonium (NH4), nitrate (NO3), and dissolved organic carbon (DOC). We used global Monte Carlo sensitivity analyses with a nondimensional form of the model to examine coupled nitrification-denitrification dynamics across many scales of transport and reaction conditions. Results demonstrated that the residence time of water in the HZ and the uptake rate of O2 from either respiration and/or nitrification determined whether the HZ was a source or a sink of NO3 to the stream. We further show that whether the HZ is a net NO3 source or net NO3 sink is determined by the ratio of the characteristic transport time to the characteristic reaction time of O2 (i.e., the Damköhler number, DaO2), where HZs with DaO2 < 1 will be net nitrification environments and HZs with DaO2 ≪ 1 will be net denitrification environments. Our coupling of the hydrologic and biogeochemical limitations of N transformations across different temporal and spatial scales within the HZ allows us to explain the widely contrasting results of previous investigations of HZ N dynamics which variously identify the HZ as either a net source or sink of NO3. Our model results suggest that only estimates of residence times and O2uptake rates

  4. Anomalous Electron Transport Due to Multiple High Frequency Beam Ion Driven Alfven Eigenmode

    Energy Technology Data Exchange (ETDEWEB)

    Gorelenkov, N. N.; Stutman, D.; Tritz, K.; Boozer, A.; Delgardo-Aparicio, L.; Fredrickson, E.; Kaye, S.; White, R.

    2010-07-13

    We report on the simulations of recently observed correlations of the core electron transport with the sub-thermal ion cyclotron frequency instabilities in low aspect ratio plasmas of the National Spherical Torus Experiment (NSTX). In order to model the electron transport of the guiding center code ORBIT is employed. A spectrum of test functions of multiple core localized Global shear Alfven Eigenmode (GAE) instabilities based on a previously developed theory and experimental observations is used to examine the electron transport properties. The simulations exhibit thermal electron transport induced by electron drift orbit stochasticity in the presence of multiple core localized GAE.

  5. Respiratory metabolism: glycolysis, the TCA cycle and mitochondrial electron transport.

    Science.gov (United States)

    Fernie, Alisdair R; Carrari, Fernando; Sweetlove, Lee J

    2004-06-01

    The respiratory pathways of glycolysis, the tricarboxylic acid (TCA) cycle and the mitochondrial electron transport chain are ubiquitous throughout nature. They are essential for both energy provision in heterotrophic cells and a wide range of other physiological functions. Although the series of enzymes and proteins that participate in these pathways have long been known, their regulation and control are much less well understood. Further complexity arises due to the extensive interaction among these pathways in particular, and also between cytosolic and mitochondrial metabolism in general. These interactions include those between mitochondrial function in the photosynthetic and photorespiratory processes, amino-acid biosynthesis and the regulation of cellular redox. Recently, a wide range of molecular and biochemical strategies have been adopted to elucidate the functional significance of these interactions.

  6. Bias-dependent oscillatory electron transport of monatomic sulfur chains

    KAUST Repository

    Yu, Jing-Xin

    2012-01-01

    The bias-dependent oscillatory electron transport of monatomic sulfur chains sandwiched between gold electrodes is investigated with density functional theory and non-equilibrium Green\\'s function method. At zero bias, in contrast to the typical odd-even oscillations observed in most metallic chains, we find that the conductance oscillates with a period of four atoms. However, as the bias voltage is increased the current displays a two-atom periodicity. This emerges gradually, first for the longer chains and then, at voltages larger than 0.7 V, for lengths. The oscillatory behaviors are analyzed by the density of states and the energy-dependent and bias-dependent transmission coefficients. © 2012 American Institute of Physics.

  7. Electron Transport and Tunneling Resistance between Carbon Nanotube Fibers

    Science.gov (United States)

    Zhang, Peng; Lau, Y. Y.; Luginsland, J. W.; Gilgenbach, R. M.

    2015-11-01

    The carbon nanotube (CNT) has exceptional intrinsic properties in its mechanical strength and stiffness, low density, and electrical and thermal conductivity. However, on a macroscopic level, these outstanding properties, especially the electrical conductivity, remain elusive. The CNT fibers contain a very large number of junctions and contacts. It is therefore important to understand the electron transport through the contact between individual CNTs as well as the contact between CNT and the substrate. Based on a simple transmission line model, we study the tunneling resistance for a parallel contact formed between two closely spaced CNTs. The localized contact resistance along the contact region is modeled by the tunneling resistance, which is calculated from a recent self-consistent model. The results give insights on the macroscopic electrical conductivity of CNT fibers. This work was supported by AFOSR Grant No. FA9550-14-1-0309.

  8. Electron transport in Bi2Se3 ultra thin films

    Science.gov (United States)

    Bauer, Sebastian; Bernhart, Alexander M.; Bobisch, Christian A.

    2018-02-01

    We studied the electronic transport properties of a 4 QL thin Bi2Se3 film in the hybridized phase on Si(111) by scanning tunneling potentiometry. When a transverse voltage is applied, the film exhibits a homogeneous electric field on the nm scale. In addition, thermovoltage signals with lateral nm variations are found which result from sample heating by the transverse current. The thermovoltage signals are directly correlated to morphological structures on the surface, i.e. step edges, and indicate a lateral variation of the local density of states at the Bi2Se3 surface. No discernible voltage drops appear at the surface so that the whole film serves as a current carrying medium and scattering at surface defects is less important.

  9. Electronic transport properties of a quinone-based molecular switch

    Science.gov (United States)

    Zheng, Ya-Peng; Bian, Bao-An; Yuan, Pei-Pei

    2016-09-01

    In this paper, we carried out first-principles calculations based on density functional theory and non-equilibrium Green's function to investigate the electronic transport properties of a quinone-based molecule sandwiched between two Au electrodes. The molecular switch can be reversibly switched between the reduced hydroquinone (HQ) and oxidized quinone (Q) states via redox reactions. The switching behavior of two forms is analyzed through their I- V curves, transmission spectra and molecular projected self-consistent Hamiltonian at zero bias. Then we discuss the transmission spectra of the HQ and Q forms at different bias, and explain the oscillation of current according to the transmission eigenstates of LUMO energy level for Q form. The results suggest that this kind of a quinone-based molecule is usable as one of the good candidates for redox-controlled molecular switches.

  10. HYDROBIOGEOCHEM: A coupled model of HYDROlogic transport and mixed BIOGEOCHEMical kinetic/equilibrium reactions in saturated-unsaturated media

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, G.T.; Salvage, K.M. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Civil and Environmental Engineering; Gwo, J.P. [Oak Ridge National Lab., TN (United States); Zachara, J.M.; Szecsody, J.E. [Pacific Northwest National Lab., Richland, WA (United States)

    1998-07-01

    The computer program HYDROBIOGEOCHEM is a coupled model of HYDROlogic transport and BIOGEOCHEMical kinetic and/or equilibrium reactions in saturated/unsaturated media. HYDROBIOGEOCHEM iteratively solves the two-dimensional transport equations and the ordinary differential and algebraic equations of mixed biogeochemical reactions. The transport equations are solved for all aqueous chemical components and kinetically controlled aqueous species. HYDROBIOGEOCHEM is designed for generic application to reactive transport problems affected by both microbiological and geochemical reactions in subsurface media. Input to the program includes the geometry of the system, the spatial distribution of finite elements and nodes, the properties of the media, the potential chemical and microbial reactions, and the initial and boundary conditions. Output includes the spatial distribution of chemical and microbial concentrations as a function of time and space, and the chemical speciation at user-specified nodes.

  11. Modeling Blazar Spectra by Solving an Electron Transport Equation

    Science.gov (United States)

    Lewis, Tiffany; Finke, Justin; Becker, Peter A.

    2018-01-01

    Blazars are luminous active galaxies across the entire electromagnetic spectrum, but the spectral formation mechanisms, especially the particle acceleration, in these sources are not well understood. We develop a new theoretical model for simulating blazar spectra using a self-consistent electron number distribution. Specifically, we solve the particle transport equation considering shock acceleration, adiabatic expansion, stochastic acceleration due to MHD waves, Bohm diffusive particle escape, synchrotron radiation, and Compton radiation, where we implement the full Compton cross-section for seed photons from the accretion disk, the dust torus, and 26 individual broad lines. We used a modified Runge-Kutta method to solve the 2nd order equation, including development of a new mathematical method for normalizing stiff steady-state ordinary differential equations. We show that our self-consistent, transport-based blazar model can qualitatively fit the IR through Fermi g-ray data for 3C 279, with a single-zone, leptonic configuration. We use the solution for the electron distribution to calculate multi-wavelength SED spectra for 3C 279. We calculate the particle and magnetic field energy densities, which suggest that the emitting region is not always in equipartition (a common assumption), but sometimes matter dominated. The stratified broad line region (based on ratios in quasar reverberation mapping, and thus adding no free parameters) improves our estimate of the location of the emitting region, increasing it by ~5x. Our model provides a novel view into the physics at play in blazar jets, especially the relative strength of the shock and stochastic acceleration, where our model is well suited to distinguish between these processes, and we find that the latter tends to dominate.

  12. Kinetics of carrier-mediated alkali cation transport through supported liquid membranes: Effect of membrane solvent, co-transported anion, and support

    NARCIS (Netherlands)

    Visser, H.C.; Visser, Herman C.; de Jong, Feike; Reinhoudt, David

    1995-01-01

    The rate-limiting step in the transport of alkali cations through supported liquid membranes mediated by calix [4] arene carriers can be the diffusion of the carrier cation complex through the membrane and/or the kinetics of cation release from the complex. The effects of membrane solvent,

  13. Electron transport in molecular junctions with graphene as protecting layer

    Science.gov (United States)

    Hüser, Falco; Solomon, Gemma C.

    2015-12-01

    We present ab initio transport calculations for molecular junctions that include graphene as a protecting layer between a single molecule and gold electrodes. This vertical setup has recently gained significant interest in experiment for the design of particularly stable and reproducible devices. We observe that the signals from the molecule in the electronic transmission are overlayed by the signatures of the graphene sheet, thus raising the need for a reinterpretation of the transmission. On the other hand, we see that our results are stable with respect to various defects in the graphene. For weakly physiosorbed molecules, no signs of interaction with the graphene are evident, so the transport properties are determined by offresonant tunnelling between the gold leads across an extended structure that includes the molecule itself and the additional graphene layer. Compared with pure gold electrodes, calculated conductances are about one order of magnitude lower due to the increased tunnelling distance. Relative differences upon changing the end group and the length of the molecule on the other hand, are similar.

  14. Electronic transport through nanowires: a real-space finite-difference approach

    NARCIS (Netherlands)

    Khomyakov, Petr

    2006-01-01

    Nanoelectronics is a fast developing ¯eld. Therefore understanding of the electronic transport at the nanoscale is currently of great interest. This thesis "Electronic transport through nanowires: a real-space ¯nite-difference approach" aims at a general theoretical treatment of coherent electronic

  15. Electronic, Spin and Valley Transport in Two Dimensional Dirac Systems

    Science.gov (United States)

    Xu, Hongya

    This dissertation aims to study and understand relevant issues related to the electronic, spin and valley transport in two-dimensional Dirac systems for different given physical settings. In summary, four key findings are achieved. First, studying persistent currents in confined chaotic Dirac fermion systems with a ring geometry and an applied Aharonov-Bohm flux, unusual whispering-gallery modes with edge-dependent currents and spin polarization are identified. They can survive for highly asymmetric rings that host fully developed classical chaos. By sustaining robust persistent currents, these modes can be utilized to form a robust relativistic quantum two-level system. Second, the quantized topological edge states in confined massive Dirac fermion systems exhibiting a remarkable reverse Stark effect in response to an applied electric field, and an electrically or optically controllable spin switching behavior are uncovered. Third, novel wave scattering and transport in Dirac-like pseudospin-1 systems are reported. (a), for small scatterer size, a surprising revival resonant scattering with a peculiar boundary trapping by forming unusual vortices is uncovered. Intriguingly, it can persist in arbitrarily weak scatterer strength regime, which underlies a superscattering behavior beyond the conventional scenario. (b), for larger size, a perfect caustic phenomenon arises as a manifestation of the super-Klein tunneling effect. (c), in the far-field, an unexpected isotropic transport emerges at low energies. Fourth, a geometric valley Hall effect (gVHE) originated from fractional singular Berry flux is revealed. It is shown that gVHE possesses a nonlinear dependence on the Berry flux with asymmetrical resonance features and can be considerably enhanced by electrically controllable resonant valley skew scattering. With the gVHE, efficient valley filtering can arise and these phenomena are robust against thermal fluctuations and disorder averaging.

  16. Oxygen tolerance and coupling of mitochondrial electron transport.

    Science.gov (United States)

    Campian, Jian Li; Qian, Mingwei; Gao, Xueshan; Eaton, John W

    2004-11-05

    Oxygen is critical to aerobic metabolism, but excessive oxygen (hyperoxia) causes cell injury and death. An oxygen-tolerant strain of HeLa cells, which proliferates even under 80% O2, termed "HeLa-80," was derived from wild-type HeLa cells ("HeLa-20") by selection for resistance to stepwise increases of oxygen partial pressure. Surprisingly, antioxidant defenses and susceptibility to oxidant-mediated killing do not differ between these two strains of HeLa cells. However, under both 20 and 80% O2, intracellular reactive oxygen species (ROS) production is significantly (approximately 2-fold) less in HeLa-80 cells. In both cell lines the source of ROS is evidently mitochondrial. Although HeLa-80 cells consume oxygen at the same rate as HeLa-20 cells, they consume less glucose and produce less lactic acid. Most importantly, the oxygen-tolerant HeLa-80 cells have significantly higher cytochrome c oxidase activity (approximately 2-fold), which may act to deplete upstream electron-rich intermediates responsible for ROS generation. Indeed, preferential inhibition of cytochrome c oxidase by treatment with n-methyl protoporphyrin (which selectively diminishes synthesis of heme a in cytochrome c oxidase) enhances ROS production and abrogates the oxygen tolerance of the HeLa-80 cells. Thus, it appears that the remarkable oxygen tolerance of these cells derives from tighter coupling of the electron transport chain.

  17. Electron transport through ac driven graphene p-n junctions

    Science.gov (United States)

    Zhang, Zhi-Qiang; Kang, Yan-Zhuo; Ding, Kai-He

    2018-02-01

    We study the electronic transport through ac driven graphene p-n junctions under a perpendicular magnetic field. It is found that subject to the transversely or longitudinally polarized ac field, in the p-n region, the conductance versus the on-site energy of the right electrode exhibits a characteristic structure with a zero value plateau and the followed oscillation peaks, whose widths are greatly suppressed by the ac field. In the n-n region, the conductance plateaus at G = (n + 1 / 2) (4e2 / h) (n is an integer) shrink for the transversely polarized ac field, whereas accompanied with the addition of the new quantized plateaus at G = n (4e2 / h) for the longitudinally polarized ac field. The combined influence of the ac field with the disorder can trigger a change in the mixing of the hole and electron states at the p-n interface, which leads to a destruction of the plateaus structure in the conductance versus the disorder strength with the emergence of new ones. The influence of the elliptically and circularly polarized ac field on the conductance is also shown.

  18. Spatial transport of electron quantum states with strong attosecond pulses

    Science.gov (United States)

    Chovancova, M.; Agueny, H.; Førre, M.; Kocbach, L.; Hansen, J. P.

    2017-11-01

    This work follows up the work of Dimitrovsky, Briggs and co-workers on translated electron atomic states by a strong field of an atto-second laser pulse, also described as creation of atoms without a nucleus. Here, we propose a new approach by analyzing the electron states in the Kramers–Henneberger moving frame in the dipole approximation. The wave function follows the displacement vector α (t). This allows arbitrarily shaped pulses, including the model delta-function potentials in the Dimitrovsky and Briggs approach. In the case of final-length single-cycle pulses, we apply both the Kramers–Henneberger moving frame analysis and a full numerical treatment of our 1D model. When the laser pulse frequency exceeds the frequency associated by the energy difference between initial and final states, the entire wavefunction is translated in space nearly without loss of coherence, to a well defined distance from the original position where the ionized core is left behind. This statement is demonstrated on the excited Rydberg states (n = 10, n = 15), where almost no distortion in the transported wave functions has been observed. However, the ground state (n = 1) is visibly distorted during the removal by pulses of reasonable frequencies, as also predicted by Dimitrovsky and Briggs analysis. Our approach allows us to analyze general pulses as well as the model delta-function potentials on the same footing in the Kramers–Henneberger frame.

  19. Electron transport characteristics of organic molecule encapsulated carbon nanotubes.

    Science.gov (United States)

    Lee, Sang Uck; Belosludov, Rodion V; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

    2011-04-01

    One-dimensional carbon nanotube (CNT) junctions with interesting device characteristics have been designed by encapsulating p- and n-type organic molecules into CNTs with electrophilic tetracyano-p-quinodimethane (TCNQ) and nucleophilic tetrakis(dimethylamino)ethylene (TDAE) molecules in order to explore the effect of encapsulation of organic molecules and rectifying behaviors of the designed one-dimensional CNT p-n junctions. Our results show that p- and n-type doping of CNTs and their associated charge transfer play an important role in determining the electron transport characteristics and lead to materials with unique properties, p-n junction diode, i.e. Zener-like diode. Furthermore, we show that the operational device characteristics of non-covalently doped CNT junctions originate from the distinct response of intrinsic transmission peaks of pure CNTs according to the type of dopant and the applied bias. We believe that the results give an insight into the design and implementation of various electronic logic functions based on CNTs for applications in the field of nanoelectronics.

  20. A Critical View on In Vitro Analysis of P-glycoprotein (P-gp) Transport Kinetics.

    Science.gov (United States)

    Saaby, Lasse; Brodin, Birger

    2017-09-01

    Transport proteins expressed in the different barriers of the human body can have great implications on absorption, distribution, and excretion of drug compounds. Inhibition or saturation of a transporter can potentially alter these absorbtion, distribution, metabolism and elimination properties and thereby also the pharmacokinetic profile and bioavailability of drug compounds. P-glycoprotein (P-gp, ABCB1) is an efflux transporter which is present in most of the barriers of the body, including the small intestine, the blood-brain barrier, the liver, and the kidney. In all these tissues, P-gp may mediate efflux of drug compounds and may also be a potential site for drug-drug interactions. Consequently, there is a need to be able to predict the saturation and inhibition of P-gp and other transporters in vivo. For this purpose, Michaelis-Menten steady-state analysis has been applied to estimate kinetic parameters, such as Km and Vmax, for carrier-mediated transport, whereas half-maximal inhibitor concentration (IC50) and the disassociation constant for an inhibitor/P-gp complex (Ki) have been determined to estimate P-gp inhibition. This review addresses in vitro methods commonly used to study P-gp transport kinetics and aims at providing a critical evaluation of the application of steady-state Michaelis-Menten analysis of kinetic parameters for substrate/P-gp interactions. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  1. Basic concepts of quantum interference and electron transport in single-molecule electronics.

    Science.gov (United States)

    Lambert, C J

    2015-02-21

    This tutorial outlines the basic theoretical concepts and tools which underpin the fundamentals of phase-coherent electron transport through single molecules. The key quantity of interest is the transmission coefficient T(E), which yields the electrical conductance, current-voltage relations, the thermopower S and the thermoelectric figure of merit ZT of single-molecule devices. Since T(E) is strongly affected by quantum interference (QI), three manifestations of QI in single-molecules are discussed, namely Mach-Zehnder interferometry, Breit-Wigner resonances and Fano resonances. A simple MATLAB code is provided, which allows the novice reader to explore QI in multi-branched structures described by a tight-binding (Hückel) Hamiltonian. More generally, the strengths and limitations of materials-specific transport modelling based on density functional theory are discussed.

  2. Enhancing oxygen transport through Mixed-Ionic-and-Electronic-Conducting ceramic membranes

    Science.gov (United States)

    Yu, Anthony S.

    Ceramic membranes based on Mixed-Ionic-and-Electronic-Conducting (MIEC) oxides are capable of separating oxygen from air in the presence of an oxygen partial-pressure gradient. These MIEC membranes show great promise for oxygen consuming industrial processes, such as the production of syngas from steam reforming of natural gas (SRM), as well as for electricity generation in Solid Oxide Fuel Cells (SOFC). For both applications, the overall performance is dictated by the rate of oxygen transport across the membrane. Oxygen transport across MIEC membranes is composed of a bulk oxygen-ion diffusion process and surface processes, such as surface reactions and adsorption/desorption of gaseous reactants/products. The main goal of this thesis was to determine which process is rate-limiting in order to significantly enhance the overall rate of oxygen transport in MIEC membrane systems. The rate-limiting step was determined by evaluating the total resistance to oxygen transfer, Rtot. Rtot is the sum of a bulk diffusion resistance in the membrane itself, Rb, and interfacial loss components, Rs. Rb is a function of the membrane's ionic conductivity and thickness, while Rs arises primarily from slow surface-exchange kinetics that cause the P(O2) at the surfaces of the membrane to differ from the P(O 2) in the adjacent gas phases. Rtot can be calculated from the Nernst potential across the membrane and the measured oxygen flux. The rate-limiting process can be determined by evaluating the relative contributions of the various losses, Rs and Rb, to Rtot. Using this method, this thesis demonstrates that for most membrane systems, Rs is the dominating factor. In the development of membrane systems with high oxygen transport rates, thin membranes with high ionic conductivities are required to achieve fast bulk oxygen-ion diffusion. However, as membrane thickness is decreased, surface reaction kinetics become more important in determining the overall transport rate. The two

  3. Kinetic transport in a magnetically confined and flux-constrained fusion plasma; Transport cinetique dans un plasma de fusion magnetique a flux force

    Energy Technology Data Exchange (ETDEWEB)

    Darmet, G

    2007-11-15

    This work deals with the kinetic transport in a fusion plasma magnetically confined and flux-constrained. The author proposes a new interpretation of the dynamics of zonal flows. The model that has been studied is a gyrokinetic model reduced to the transport of trapped ions. The inter-change stability that is generated allows the study of the kinetic transport of trapped ions. This model has a threshold instability and can be simulated over a few tens confining time for either thermal bath constraint or flux constraint. For thermal baths constraint, the simulation shows a metastable state where zonal flows are prevailing while turbulence is non-existent. In the case of a flux-constraint, zonal flows appear and relax by exchanging energy with system's kinetic energy and turbulence energy. The competition between zonal flows and turbulence can be then simulated by a predator-prey model. 2 regimes can be featured out: an improved confining regime where zonal flows dominate transport and a turbulent regime where zonal flows and turbulent transport are of the same magnitude order. We show that flux as well as the Reynolds tensor play an important role in the dynamics of the zonal flows and that the gyrokinetic description is relevant for all plasma regions. (A.C.)

  4. Kinetic parameter estimation in N. europaea biofilms using a 2-D reactive transport model.

    Science.gov (United States)

    Lauchnor, Ellen G; Semprini, Lewis; Wood, Brian D

    2015-06-01

    Biofilms of the ammonia oxidizing bacterium Nitrosomonas europaea were cultivated to study microbial processes associated with ammonia oxidation in pure culture. We explored the hypothesis that the kinetic parameters of ammonia oxidation in N. europaea biofilms were in the range of those determined with batch suspended cells. Oxygen and pH microelectrodes were used to measure dissolved oxygen (DO) concentrations and pH above and inside biofilms and reactive transport modeling was performed to simulate the measured DO and pH profiles. A two dimensional (2-D) model was used to simulate advection parallel to the biofilm surface and diffusion through the overlying fluid while reaction and diffusion were simulated in the biofilm. Three experimental studies of microsensor measurements were performed with biofilms: i) NH3 concentrations near the Ksn value of 40 μM determined in suspended cell tests ii) Limited buffering capacity which resulted in a pH gradient within the biofilms and iii) NH3 concentrations well below the Ksn value. Very good fits to the DO concentration profiles both in the fluid above and in the biofilms were achieved using the 2-D model. The modeling study revealed that the half-saturation coefficient for NH3 in N. europaea biofilms was close to the value measured in suspended cells. However, the third study of biofilms with low availability of NH3 deviated from the model prediction. The model also predicted shifts in the DO profiles and the gradient in pH that resulted for the case of limited buffering capacity. The results illustrate the importance of incorporating both key transport and chemical processes in a biofilm reactive transport model. © 2014 Wiley Periodicals, Inc.

  5. Kinetic Modeling of ABCG2 Transporter Heterogeneity: A Quantitative, Single-Cell Analysis of the Side Population Assay.

    Science.gov (United States)

    Prasanphanich, Adam F; White, Douglas E; Gran, Margaret A; Kemp, Melissa L

    2016-11-01

    The side population (SP) assay, a technique used in cancer and stem cell research, assesses the activity of ABC transporters on Hoechst staining in the presence and absence of transporter inhibition, identifying SP and non-SP cell (NSP) subpopulations by differential staining intensity. The interpretation of the assay is complicated because the transporter-mediated mechanisms fail to account for cell-to-cell variability within a population or adequately control the direct role of transporter activity on staining intensity. We hypothesized that differences in dye kinetics at the single-cell level, such as ABCG2 transporter-mediated efflux and DNA binding, are responsible for the differential cell staining that demarcates SP/NSP identity. We report changes in A549 phenotype during time in culture and with TGFβ treatment that correlate with SP size. Clonal expansion of individually sorted cells re-established both SP and NSPs, indicating that SP membership is dynamic. To assess the validity of a purely kinetics-based interpretation of SP/NSP identity, we developed a computational approach that simulated cell staining within a heterogeneous cell population; this exercise allowed for the direct inference of the role of transporter activity and inhibition on cell staining. Our simulated SP assay yielded appropriate SP responses for kinetic scenarios in which high transporter activity existed in a portion of the cells and little differential staining occurred in the majority of the population. With our approach for single-cell analysis, we observed SP and NSP cells at both ends of a transporter activity continuum, demonstrating that features of transporter activity as well as DNA content are determinants of SP/NSP identity.

  6. Microtearing instabilities and resulting electron thermal transport in DIII-D discharges

    Science.gov (United States)

    Kritz, A. H.; Rafiq, T.; Luo, L.; Weiland, J.

    2017-10-01

    A reduced transport model for microtearing modes (MTMs), has been developed for use in integrated predictive modeling studies. A unified fluid/kinetic approach is employed in the derivation of the nonlinear MTM dispersion relation. The dependence of the MTMs real frequency and growth rate in DIII-D like L-mode and H-mode plasma discharges is examined for a range of plasma parameters. The saturated amplitude of the magnetic fluctuations is calculated utilizing numerically determined MTM eigenvalues in the nonlinear MTM envelope equation. It is found that the electron temperature gradient in the presence of moderate collision frequency is required for MTMs to become unstable. The effects of small and large collisionality and small and large wavenumbers on MTMs are found to be stabilizing, while the effects of density gradient, plasma beta, low current density, and large magnetic shear are found to be destabilizing. The MTM growth rate, magnetic fluctuation strength, as well as electron thermal diffusivity is found to be larger in the H-mode plasma than in the L-mode plasma. Research supported in part by the U.S. DOE, Office of Science.

  7. Alternative electron transport mediated by flavodiiron proteins is operational in organisms from cyanobacteria up to gymnosperms.

    Science.gov (United States)

    Ilík, Petr; Pavlovič, Andrej; Kouřil, Roman; Alboresi, Alessandro; Morosinotto, Tomas; Allahverdiyeva, Yagut; Aro, Eva-Mari; Yamamoto, Hiroshi; Shikanai, Toshiharu

    2017-05-01

    Photo-reduction of O 2 to water mediated by flavodiiron proteins (FDPs) represents a safety valve for the photosynthetic electron transport chain in fluctuating light. So far, the FDP-mediated O 2 photo-reduction has been evidenced only in cyanobacteria and the moss Physcomitrella; however, a recent phylogenetic analysis of transcriptomes of photosynthetic organisms has also revealed the presence of FDP genes in several nonflowering plant groups. What remains to be clarified is whether the FDP-dependent O 2 photo-reduction is actually operational in these organisms. We have established a simple method for the monitoring of FDP-mediated O 2 photo-reduction, based on the measurement of redox kinetics of P700 (the electron donor of photosystem I) upon dark-to-light transition. The O 2 photo-reduction is manifested as a fast re-oxidation of P700. The validity of the method was verified by experiments with transgenic organisms, namely FDP knock-out mutants of Synechocystis and Physcomitrella and transgenic Arabidopsis plants expressing FDPs from Physcomitrella. We observed the fast P700 re-oxidation in representatives of all green plant groups excluding angiosperms. Our results provide strong evidence that the FDP-mediated O 2 photo-reduction is functional in all nonflowering green plant groups. This finding suggests a major change in the strategy of photosynthetic regulation during the evolution of angiosperms. © 2017 The Authors. New Phytologist © 2017 New Phytologist Trust.

  8. Carriers in electron transport from molecular hydrogen to oxygen in Rhizobium japonicum bacteroids.

    Science.gov (United States)

    Eisbrenner, G; Evans, H J

    1982-03-01

    An investigation has been conducted to identify electron transport carriers that participate in the oxidation of H2 by H2 uptake-positive strains of Rhizobium japonicum bacteroids. We have observed that the reduced form of dibromothymoquinone at a concentration of 0.2 mM strongly inhibited H2 uptake, endogenous respiration, and C2H2 reduction by bacteroid suspensions. Reduced dibromothymoquinone, however, failed to inhibit the transfer of electrons from H2 to methylene blue under anaerobic conditions, indicating that the hydrogenase per se is insensitive to this inhibitor. Metronidazole, at 1 mM, affected rates of H2 uptake and endogenous respiration only slightly, but strongly inhibited C2H2 reduction. Evidence for H2-dependent cytochrome reduction in an H2 uptake-positive strain of R. japonicum bacteroids is presented. In kinetic studies, the rates of reduction of the type b and c cytochromes in the presence of H2 were shown to be severalfold higher than the rates due to endogenous respiration alone. With hydrogenase-deficient mutants of R. japonicum, no measurable effect of H2 on cytochrome reduction was observed. Our results indicate that ubiquinone and cytochromes of types b and c are involved in the oxyhydrogen reaction in R. japonicum.

  9. Study of electron kinetics in nitrogen plasma induced by CO2 laser radiation

    Science.gov (United States)

    Nassef, O. Aied; Gamal, Yosr E. E.-D.

    2017-12-01

    In the present work, a numerical modeling is performed to study the electron kinetics in nitrogen plasma induced by CO2 laser radiation operating at wavelength 9.621 μm, and pulse duration of 60 ns corresponding to the measurements carried out by Camacho et al. (J Phys B At Mol Opt Phys 40:4573, 2007). In this experiment, the breakdown threshold intensity is determined for molecular nitrogen over a pressure range 301-760 torr. A previously developed electron cascade model (Evans and Gamal in J Phys D Appl Phys 13:1447, 1980) is modified and applied. This model is based on numerical solution of a time-dependent energy equation and a set of rate equations that describe the time variation of the formed excited states population. The effect of breakdown mechanism is decided through the calculations of the threshold intensity as a function of gas pressure considering the various physical processes that might take place during the interaction. The individual effect of each loss process on the electron energy distribution function and its parameters is studied. This study is performed at the lowest and highest values of the experimentally tested gas pressure range namely; 301 and 760 torr. The obtained results clarified the exact contribution of each loss process to the breakdown of nitrogen induced by CO2 laser radiation.

  10. Study of electron kinetics in nitrogen plasma induced by CO2 laser radiation

    Science.gov (United States)

    Nassef, O. Aied; Gamal, Yosr E. E.-D.

    2017-06-01

    In the present work, a numerical modeling is performed to study the electron kinetics in nitrogen plasma induced by CO2 laser radiation operating at wavelength 9.621 μm, and pulse duration of 60 ns corresponding to the measurements carried out by Camacho et al. (J Phys B At Mol Opt Phys 40:4573, 2007). In this experiment, the breakdown threshold intensity is determined for molecular nitrogen over a pressure range 301-760 torr. A previously developed electron cascade model (Evans and Gamal in J Phys D Appl Phys 13:1447, 1980) is modified and applied. This model is based on numerical solution of a time-dependent energy equation and a set of rate equations that describe the time variation of the formed excited states population. The effect of breakdown mechanism is decided through the calculations of the threshold intensity as a function of gas pressure considering the various physical processes that might take place during the interaction. The individual effect of each loss process on the electron energy distribution function and its parameters is studied. This study is performed at the lowest and highest values of the experimentally tested gas pressure range namely; 301 and 760 torr. The obtained results clarified the exact contribution of each loss process to the breakdown of nitrogen induced by CO2 laser radiation.

  11. Electrode kinetics and species transport in direct oxidation methanol fuels cells

    Energy Technology Data Exchange (ETDEWEB)

    Kauranen, P.S. [Helsinki Univ. of Technology, Otaniemi (Finland). Dept. of Technical Physics

    1996-12-31

    Polarisation losses due to limited reaction rates at both electrodes as well as fuel crossover to the cathode are the principal loss mechanisms in a state-of-the-art direct oxidation methanol fuel cell (DMFC) consisting of a Pt-Ru alloy anode, Pt cathode, proton conducting membrane electrolyte and liquid fuel supply. The objective of this study has been accurate quantification and discussion of the relative importance of these loss mechanisms. The electrode reactions and species transport phenomena have been studied both experimentally and by numerical calculations. In the experimental part of the work, the kinetics of the electrode reactions has been studied on PTFE bonded electrodes in a half cell set-up in sulphuric acid. Galvanostatic polarisation data on carbon supported Pt and Pt-Ru catalyst materials has been analysed using the theory of adsorption on heterogeneous surfaces. In contrast to earlier kinetic models for methanol oxidation, the steady-state model presented is valid over a wide range of surface coverages by the reaction intermediates. The model has been extended to study simultaneous methanol oxidation and oxygen reduction processes in conditions which may be present in the DMFC cathode. In the theoretical part of the work, a FORTRAN 77 simulation programme has been written to study the loss mechanisms in a DMFC single cell. The simulation results show that the conversion losses due to the fuel crossover are as important a loss mechanism as the polarisation losses. Further improvements in methanol oxidation catalysis and methanol tolerant oxygen reduction catalysts or methanol impermeable electrolyte membranes are still needed before efficient high power density direct oxidation methanol fuel cells are to be realise

  12. Blood-brain barrier transport kinetics of the cyclic depsipeptide mycotoxins beauvericin and enniatins.

    Science.gov (United States)

    Taevernier, Lien; Bracke, Nathalie; Veryser, Lieselotte; Wynendaele, Evelien; Gevaert, Bert; Peremans, Kathelijne; De Spiegeleer, Bart

    2016-09-06

    The cyclic depsipeptide mycotoxins beauvericin and enniatins are capable of reaching the systemic circulation through various routes of exposure and are hence capable of exerting central nervous system (CNS) effects, if they are able to pass the blood-brain barrier (BBB), which was the main objective of this study. Quantification of the mycotoxins was performed using an in-house developed and validated bio-analytical UHPLC-MS/MS method. Prior to the BBB experiments, the metabolic stability of the mycotoxins was evaluated in vitro in mouse serum and brain homogenate. The BBB permeation kinetics of beauvericin and enniatins were studied using an in vivo mice model, applying multiple time regression for studying the blood-to-brain influx. Additionally, capillary depletion was applied to obtain the fraction of the peptides really entering the brain parenchyma and the fraction loosely adhered to the brain capillary wall. Finally, also the brain-to-blood efflux transport kinetics was studied. Metabolic stability data indicated that the investigated mycotoxins were stable during the duration of the in vivo study. The brain influx study showed that beauvericin and enniatins are able to cross the blood-brain barrier in mice: using the Gjedde-Patlak biphasic model, it was shown that all investigated mycotoxins exert a high initial influx rate into the brain (K1 ranging from 11 to 53μL/(g×min)), rapidly reaching a plateau. After penetration, the mycotoxins reached the brain parenchyma (95%) with only a limited amount residing in the capillaries (5%). Negligible efflux (<0.005min(-1)) from the brain was observed in the 15min post-intracerebroventricular injection. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  13. Common origin of kinetic scale turbulence and the electron halo in the solar wind – Connection to nanoflares

    Energy Technology Data Exchange (ETDEWEB)

    Che, Haihong [University of Maryland, College Park, MD, 20742 (United States); Goddard Space Flight Center, NASA, Greenbelt, MD, 20771 (United States)

    2016-03-25

    We summarize our recent studies on the origin of solar wind kinetic scale turbulence and electron halo in the electron velocity distribution function. Increasing observations of nanoflares and microscopic type III radio bursts strongly suggest that nanoflares and accelerated electron beams are common in the corona. Based on particle-in-cell simulations, we show that both the core-halo feature and kinetic scale turbulence observed in the solar wind can be produced by the nonlinear evolution of electron two-stream instability driven by nanoflare accelerated electron beams. The energy exchange between waves and particles reaches equilibrium in the inner corona and the key features of the turbulence and velocity distribution are preserved as the solar wind escapes into interplanetary space along open magnetic field lines. Observational tests of the model and future theoretical work are discussed.

  14. Kinetic simulations and reduced modeling of longitudinal sideband instabilities in non-linear electron plasma waves

    Energy Technology Data Exchange (ETDEWEB)

    Brunner, S. [Centre de Recherches en Physique des Plasmas, Association Euratom-Confédération Suisse, Ecole Polytechnique Fédérale de Lausanne, Lausanne, (Switzerland); Berger, R. L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Cohen, B. I. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hausammann, L. [Centre de Recherches en Physique des Plasmas, Association Euratom-Confédération Suisse, Ecole Polytechnique Fédérale de Lausanne, Lausanne, (Switzerland); Valeo, E. J. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)

    2014-10-01

    Kinetic Vlasov simulations of one-dimensional finite amplitude Electron Plasma Waves are performed in a multi-wavelength long system. A systematic study of the most unstable linear sideband mode, in particular its growth rate γ and quasi- wavenumber δk, is carried out by scanning the amplitude and wavenumber of the initial wave. Simulation results are successfully compared against numerical and analytical solutions to the reduced model by Kruer et al. [Phys. Rev. Lett. 23, 838 (1969)] for the Trapped Particle Instability (TPI). A model recently suggested by Dodin et al. [Phys. Rev. Lett. 110, 215006 (2013)], which in addition to the TPI accounts for the so-called Negative Mass Instability because of a more detailed representation of the trapped particle dynamics, is also studied and compared with simulations.

  15. Diamond-like nanocomposites: electronic transport mechanisms and some applications

    Energy Technology Data Exchange (ETDEWEB)

    Dorfman, V.F.; Skotheim, T.A.; Srivatsa, A.R. (Moltech Corporation, Engineering Building, SUNY, Stony Brook, NY (United States)); Bozhko, A.; Khan, I. (Dept. of Physics, Moscow State Univ. (Russia)); Pypkin, B.N. (Moscow Inst. of Controlling Machines, Moscow (Russia)); Borra, R.T.; Zhang, H. (Dept. of Materials Science and Engineering, SUNY, Stony Brook, NY (United States)); Rodichev, D.; Kirpilenko, G. (Inst. of Physical Problems, Zelenograd (Russia))

    1992-05-15

    A new class of electrically conductive diamond-like nanocomposite (DLN) was synthesized in which the conductivity can be varied over 18 orders of magnitude, from 10{sup 14}-10{sup 16} {Omega} cm to 2-4 x 10{sup -4} {Omega} cm. The electron transport mechanisms of the materials as amorphous dielectric, amorphous metal and in an intermediate state were studied. In the highly conducting state, the DLN structure contains a filamentary (on an atomic scale) random metallic network. A variety of metals, including lithium, silver, copper, aluminum, zinc, magnesium, niobium, tantalum, chromium, molybdenum, tungsten, rhenium, iron, cobalt and nickel can be used to form metallic DLN. Conducting DLN materials can be used as Schottky barriers with semiconductors such as silicon and GaAs. Extremely stable metal-dielectric multilayer structures without interfacial structural boundaries were fabricated. The unique combination of diamond-like chemical and mechanical properties and high electrical conductivity opens the possibility for applications of DLN materials in several areas such as microelectronics and stable anode materials for battery technology. (orig.).

  16. Defect engineering of the electronic transport through cuprous oxide interlayers

    KAUST Repository

    Fadlallah, Mohamed M.

    2016-06-03

    The electronic transport through Au–(Cu2O)n–Au junctions is investigated using first-principles calculations and the nonequilibrium Green’s function method. The effect of varying the thickness (i.e., n) is studied as well as that of point defects and anion substitution. For all Cu2O thicknesses the conductance is more enhanced by bulk-like (in contrast to near-interface) defects, with the exception of O vacancies and Cl substitutional defects. A similar transmission behavior results from Cu deficiency and N substitution, as well as from Cl substitution and N interstitials for thick Cu2O junctions. In agreement with recent experimental observations, it is found that N and Cl doping enhances the conductance. A Frenkel defect, i.e., a superposition of an O interstitial and O substitutional defect, leads to a remarkably high conductance. From the analysis of the defect formation energies, Cu vacancies are found to be particularly stable, in agreement with earlier experimental and theoretical work.

  17. Electron transport in reduced graphene oxides in high electric field

    Science.gov (United States)

    Jian, Wen-Bin; Lai, Jian-Jhong; Wang, Sheng-Tsung; Tsao, Rui-Wen; Su, Min-Chia; Tsai, Wei-Yu; Rosenstein, Baruch; Zhou, Xufeng; Liu, Zhaoping

    Due to a honeycomb structure, charge carriers in graphene exhibit quasiparticles of linear energy-momentum dispersion and phenomena of Schwinger pair creation may be explored. Because graphene is easily broken in high electric fields, single-layer reduced graphene oxides (rGO) are used instead. The rGO shows a small band gap while it reveals a graphene like behavior in high electric fields. Electron transport in rGO exhibits two-dimensional Mott's variable range hopping. The temperature behavior of resistance in low electric fields and the electric field behavior of resistance at low temperatures are all well explained by the Mott model. At temperatures higher than 200 K, the electric field behavior does not agree with the model while it shows a power law behavior with an exponent of 3/2, being in agreement with the Schwinger model. Comparing with graphene, the rGO is more sustainable to high electric field thus presenting a complete high-electric field behavior. When the rGO is gated away from the charge neutral point, the turn-on electric field of Schwinger phenomena is increased. A summary figure is given to present electric field behaviors and power law variations of resistances of single-layer rGO, graphene, and MoS2.

  18. Considerations of beta and electron transport in internal dose calculations

    Energy Technology Data Exchange (ETDEWEB)

    Bolch, W.E.; Poston, J.W. Sr. (Texas A and M Univ., College Station, TX (USA). Dept. of Nuclear Engineering)

    1990-12-01

    Ionizing radiation has broad uses in modern science and medicine. These uses often require the calculation of energy deposition in the irradiated media and, usually, the medium of interest is the human body. Energy deposition from radioactive sources within the human body and the effects of such deposition are considered in the field of internal dosimetry. In July of 1988, a three-year research project was initiated by the Nuclear Engineering Department at Texas A M University under the sponsorship of the US Department of Energy. The main thrust of the research was to consider, for the first time, the detailed spatial transport of electron and beta particles in the estimation of average organ doses under the Medical Internal Radiation Dose (MIRD) schema. At the present time (December of 1990), research activities are continuing within five areas. Several are new initiatives begun within the second or third year of the current contract period. They include: (1) development of small-scale dosimetry; (2) development of a differential volume phantom; (3) development of a dosimetric bone model; (4) assessment of the new ICRP lung model; and (5) studies into the mechanisms of DNA damage. A progress report is given for each of these tasks within the Comprehensive Report. In each use, preliminary results are very encouraging and plans for further research are detailed within this document. 22 refs., 13 figs., 1 tab.

  19. Considerations of beta and electron transport in internal dose calculations

    Energy Technology Data Exchange (ETDEWEB)

    Bolch, W.E.; Poston, J.W. Sr.

    1990-12-01

    Ionizing radiation has broad uses in modern science and medicine. These uses often require the calculation of energy deposition in the irradiated media and, usually, the medium of interest is the human body. Energy deposition from radioactive sources within the human body and the effects of such deposition are considered in the field of internal dosimetry. In July of 1988, a three-year research project was initiated by the Nuclear Engineering Department at Texas A M University under the sponsorship of the US Department of Energy. The main thrust of the research was to consider, for the first time, the detailed spatial transport of electron and beta particles in the estimation of average organ doses under the Medical Internal Radiation Dose (MIRD) schema. At the present time (December of 1990), research activities are continuing within five areas. Several are new initiatives begun within the second or third year of the current contract period. They include: (1) development of small-scale dosimetry; (2) development of a differential volume phantom; (3) development of a dosimetric bone model; (4) assessment of the new ICRP lung model; and (5) studies into the mechanisms of DNA damage. A progress report is given for each of these tasks within the Comprehensive Report. In each case, preliminary results are very encouraging and plans for further research are detailed within this document.

  20. Influence of Proton Acceptors on the Proton-Coupled Electron Transfer Reaction Kinetics of a Ruthenium-Tyrosine Complex.

    Science.gov (United States)

    Lennox, J Christian; Dempsey, Jillian L

    2017-11-22

    A polypyridyl ruthenium complex with fluorinated bipyridine ligands and a covalently bound tyrosine moiety was synthesized, and its photo-induced proton-coupled electron transfer (PCET) reactivity in acetonitrile was investigated with transient absorption spectroscopy. Using flash-quench methodology with methyl viologen as an oxidative quencher, a Ru 3+ species is generated that is capable of initiating the intramolecular PCET oxidation of the tyrosine moiety. Using a series of substituted pyridine bases, the reaction kinetics were found to vary as a function of proton acceptor concentration and identity, with no significant H/D kinetic isotope effect. Through analysis of the kinetics traces and comparison to a control complex without the tyrosine moiety, PCET reactivity was found to proceed through an equilibrium electron transfer followed by proton transfer (ET-PT) pathway in which irreversible deprotonation of the tyrosine radical cation shifts the ET equilibrium, conferring a base dependence on the reaction. Comprehensive kinetics modeling allowed for deconvolution of complex kinetics and determination of rate constants for each elementary step. Across the five pyridine bases explored, spanning a range of 4.2 pK a units, a linear free-energy relationship was found for the proton transfer rate constant with a slope of 0.32. These findings highlight the influence that proton transfer driving force exerts on PCET reaction kinetics.

  1. Adsorption equilibrium and transport kinetics for a range of probe gases in Takeda 3A carbon molecular sieve.

    Science.gov (United States)

    Rutherford, S W; Coons, J E

    2005-04-15

    Measurements of adsorption equilibria and transport kinetics for argon, oxygen and nitrogen at 20, 50, and 80 degrees C on commercially derived Takeda carbon molecular sieve (CMS) employed for air separation have been undertaken in an effort to elucidate fundamental mechanisms of transport. Results indicate that micropore diffusion which is modeled by a Fickian diffusion process, governs the transport of oxygen molecules and the pore mouth barrier controls argon and nitrogen transport which is characterized by a linear driving force (LDF) model. For the three temperatures studied, the pressure dependence of the diffusivity and the LDF rate constant appear to be well characterized by a formulation based on the chemical potential as the driving force for transport. Isosteric heat of adsorption at zero loading and activation energy measurements are compared with predictions made from a previously proposed molecular model for characterizing CMS.

  2. The cytochrome b6f complex at the crossroad of photosynthetic electron transport pathways.

    Science.gov (United States)

    Tikhonov, Alexander N

    2014-08-01

    Regulation of photosynthetic electron transport at the level of the cytochrome b6f complex provides efficient performance of the chloroplast electron transport chain (ETC). In this review, after brief overview of the structural organization of the chloroplast ETC, the consideration of the problem of electron transport control is focused on the plastoquinone (PQ) turnover and its interaction with the b6f complex. The data available show that the rates of plastoquinol (PQH2) formation in PSII and its diffusion to the b6f complex do not limit the overall rate of electron transfer between photosystem II (PSII) and photosystem I (PSI). Analysis of experimental and theoretical data demonstrates that the rate-limiting step in the intersystem chain of electron transport is determined by PQH2 oxidation at the Qo-site of the b6f complex, which is accompanied by the proton release into the thylakoid lumen. The acidification of the lumen causes deceleration of PQH2 oxidation, thus impeding the intersystem electron transport. Two other mechanisms of regulation of the intersystem electron transport have been considered: (i) "state transitions" associated with the light-induced redistribution of solar energy between PSI and PSII, and (ii) redistribution of electron fluxes between alternative pathways (noncyclic electron transport and cyclic electron flow around PSI). Copyright © 2013 Elsevier Masson SAS. All rights reserved.

  3. Plasma transport in stochastic magnetic fields. III. Kinetics of test-particle diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Krommes, J.A.; Oberman, C.; Kleva, R.G.

    1982-07-01

    A discussion is given of test particle transport in the presence of specified stochastic magnetic fields, with particular emphasis on the collisional limit. Certain paradoxes and inconsistencies in the literature regarding the form of the scaling laws are resolved by carefully distinguishing a number of physically distinct correlation lengths, and thus by identifying several collisional subregimes. The common procedure of averaging the conventional fluid equations over the statistics of a random field is shown to fail in some important cases because of breakdown of the Chapman-Enskog ordering in the presence of a stochastic field component with short autocorrelation length. A modified perturbation theory is introduced which leads to a Kubo-like formula valid in all collisionality regimes. The direct-interaction approximation is shown to fail in the interesting limit in which the orbit exponentiation length L/sub K/ appears explicitly. A higher order renormalized kinetic theory in which L/sub K/ appears naturally is discussed and used to rederive more systematically the results of the heuristic scaling arguments.

  4. Synchrotron emission diagnostic of full-orbit kinetic simulations of runaway electrons in tokamaks plasmas

    Science.gov (United States)

    Carbajal Gomez, Leopoldo; Del-Castillo-Negrete, Diego

    2017-10-01

    Developing avoidance or mitigation strategies of runaway electrons (RE) for the safe operation of ITER is imperative. Synchrotron radiation (SR) of RE is routinely used in current tokamak experiments to diagnose RE. We present the results of a newly developed camera diagnostic of SR for full-orbit kinetic simulations of RE in DIII-D-like plasmas that simultaneously includes: full-orbit effects, information of the spectral and angular distribution of SR of each electron, and basic geometric optics of a camera. We observe a strong dependence of the SR measured by the camera on the pitch angle distribution of RE, namely we find that crescent shapes of the SR on the camera pictures relate to RE distributions with small pitch angles, while ellipse shapes relate to distributions of RE with larger pitch angles. A weak dependence of the SR measured by the camera with the RE energy, value of the q-profile at the edge, and the chosen range of wavelengths is found. Furthermore, we observe that oversimplifying the angular distribution of the SR changes the synchrotron spectra and overestimates its amplitude. Research sponsored by the LDRD Program of ORNL, managed by UT-Battelle, LLC, for the U. S. DoE.

  5. Effective atomic numbers, electron densities and kinetic energy released in matter of vitamins for photon interaction

    Science.gov (United States)

    Shantappa, A.; Hanagodimath, S. M.

    2014-01-01

    Effective atomic numbers, electron densities of some vitamins (Retinol, Riboflavin, Niacin, Biotin, Folic acid, Cobalamin, Phylloquinone and Flavonoids) composed of C, H, O, N, Co, P and S have been calculated for total and partial photon interactions by the direct method for energy range 1 keV-100 GeV by using WinXCOM and kinetic energy released in matter (Kerma) relative to air is calculated in energy range of 1 keV-20 MeV. Change in effective atomic number and electron density with energy is calculated for all photon interactions. Variation of photon mass attenuation coefficients with energy are shown graphically only for total photon interaction. It is observed that change in mass attenuation coefficient with composition of different chemicals is very large below 100 keV and moderate between 100 keV and 10 MeV and negligible above 10 MeV. Behaviour of vitamins is almost indistinguishable except biotin and cobalamin because of large range of atomic numbers from 1(H) to 16 (S) and 1(H) to 27(Co) respectively. K a value shows a peak due to the photoelectric effect around K-absorption edge of high- Z constituent of compound for biotin and cobalamin.

  6. Using Adobe Flash Animations of Electron Transport Chain to Teach and Learn Biochemistry

    Science.gov (United States)

    Teplá, Milada; Klímová, Helena

    2015-01-01

    Teaching the subject of the electron transport chain is one of the most challenging aspects of the chemistry curriculum at the high school level. This article presents an educational program called "Electron Transport Chain" which consists of 14 visual animations including a biochemistry quiz. The program was created in the Adobe Flash…

  7. Proton-transport mechanisms in cytochrome c oxidase revealed by studies of kinetic isotope effects

    Science.gov (United States)

    Johansson, Ann-Louise; Chakrabarty, Suman; Siöberg, Catrine Berthold; Högbom, Martin; Warshel, Arieh; Brzezinski, Peter

    2011-01-01

    Cytochrome c oxidase (CytcO) is a membrane-bound enzyme, which catalyzes the reduction of di-oxygen to water and uses a major part of the free energy released in this reaction to pump protons across the membrane. In the Rhodobacter sphaeroides aa3 CytcO all protons that are pumped across the membrane, as well as one half of the protons that are used for O2 reduction, are transferred through one specific intraprotein proton pathway, which holds a highly conserved Glu286 residue. Key questions that need to be addressed in order to understand the function of CytcO at a molecular level are related to the timing of proton transfers from Glu286 to a “pump site” and the catalytic site, respectively. Here, we have investigated the temperature dependencies of the H/D kinetic-isotope effects of intramolecular proton-transfer reactions in the wild-type CytcO as well as in two structural CytcO variants, one in which proton uptake from solution is delayed and one in which proton pumping is uncoupled from O2 reduction. These processes were studied for two specific reaction steps linked to transmembrane proton pumping, one that involves only proton transfer (peroxy–ferryl, P→F, transition) and one in which the same sequence of proton transfers is also linked to electron transfer to the catalytic site (ferryl–oxidized, F→O, transition). An analysis of these reactions in the framework of theory indicates that that the simpler, P→F reaction is rate-limited by proton transfer from Glu286 to the catalytic site. When the same proton-transfer events are also linked to electron transfer to the catalytic site (F→O), the proton-transfer reactions are gated by a protein structural change, which presumably ensures that the proton-pumping stoichiometry is maintained also in the presence of a transmembrane electrochemical gradient. PMID:21463601

  8. Inner Sphere and Outer Sphere Electron Transfer to Methyl Iodide. Deuterium and 13C Kinetic Isotope Effects

    DEFF Research Database (Denmark)

    Holm, Torkil; Crossland, Ingolf

    1996-01-01

    Deuterium and 13C kinetic isotope effects (KIEs) have been determined for the conversion of methyl iodide into methyl radical via inner sphere ET (electron transfer) and via outer sphere ET. The alfa-deuterium KIE was found to be very high for in...

  9. Diffusive transport of energetic electrons in the solar corona: X-ray and radio diagnostics

    Science.gov (United States)

    Musset, S.; Kontar, E. P.; Vilmer, N.

    2018-02-01

    Context. Imaging spectroscopy in X-rays with RHESSI provides the possibility to investigate the spatial evolution of X-ray emitting electron distribution and therefore, to study transport effects on energetic electrons during solar flares. Aims: We study the energy dependence of the scattering mean free path of energetic electrons in the solar corona. Methods: We used imaging spectroscopy with RHESSI to study the evolution of energetic electrons distribution in various parts of the magnetic loop during the 2004 May 21 flare. We compared these observations with the radio observations of the gyrosynchrotron radiation of the same flare and with the predictions of a diffusive transport model. Results: X-ray analysis shows a trapping of energetic electrons in the corona and a spectral hardening of the energetic electron distribution between the top of the loop and the footpoints. Coronal trapping of electrons is stronger for radio-emitting electrons than for X-ray-emitting electrons. These observations can be explained by a diffusive transport model. Conclusions: We show that the combination of X-ray and radio diagnostics is a powerful tool to study electron transport in the solar corona in different energy domains. We show that the diffusive transport model can explain our observations, and in the range 25-500 keV, the scattering mean free path of electrons decreases with electron energy. We can estimate for the first time the scattering mean free path dependence on energy in the corona.

  10. Photosynthetic Electron and Proton Transport in Chloroplasts: EPR Study of ΔpH Generation, an Overview.

    Science.gov (United States)

    Tikhonov, Alexander N

    2017-12-01

    This is a brief overview focused on the electron paramagnetic resonance applications to the study of the proton transport processes in chloroplasts. After brief description of structural and functional organization of the chloroplast electron transport chain, our attention is focused on the measurements of trans-thylakoid pH difference (ΔpH) with pH-sensitive spin-probes. The use of spin-probes is based either (i) on measuring the ΔpH-partitioning of spin-probes between the thylakoid lumen and external volume, or (ii) on monitoring changes in the electron paramagnetic resonance spectra of pH-sensitive nitroxide radicals located in the lumen. Along with the use of spin-probes, the intra-thylakoid pH (pHin) can be determined by the "kinetic" method, which relies on the fact that the rate-limiting step in the chain of photosynthetic electron transfer (plastoquinol oxidation by the cytochrome b 6 f complex) is controlled by pHin. The results of ΔpH determinations in chloroplasts based on the use of pH-sensitive spin-probes and measurements of post-illumination reduction of photoreaction centers of Photosystem I are discussed in the context of the problem of energy coupling in laterally heterogeneous lamellar system of chloroplasts.

  11. Modeling electron transport in the presence of electric and magnetic fields.

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Wesley C.; Drumm, Clifton Russell; Pautz, Shawn D.; Turner, C. David

    2013-09-01

    This report describes the theoretical background on modeling electron transport in the presence of electric and magnetic fields by incorporating the effects of the Lorentz force on electron motion into the Boltzmann transport equation. Electromagnetic fields alter the electron energy and trajectory continuously, and these effects can be characterized mathematically by differential operators in terms of electron energy and direction. Numerical solution techniques, based on the discrete-ordinates and finite-element methods, are developed and implemented in an existing radiation transport code, SCEPTRE.

  12. Steady-state brain glucose transport kinetics re-evaluated with a four-state conformational model

    Directory of Open Access Journals (Sweden)

    João M N Duarte

    2009-10-01

    Full Text Available Glucose supply from blood to brain occurs through facilitative transporter proteins. A near linear relation between brain and plasma glucose has been experimentally determined and described by a reversible model of enzyme kinetics. A conformational four-state exchange model accounting for trans-acceleration and asymmetry of the carrier was included in a recently developed multi-compartmental model of glucose transport. Based on this model, we demonstrate that brain glucose (Gbrain as function of plasma glucose (Gplasma can be described by a single analytical equation namely comprising three kinetic compartments: blood, endothelial cells and brain. Transport was described by four parameters: apparent half saturation constant Kt, apparent maximum rate constant Tmax, glucose consumption rate CMRglc, and the iso-inhibition constant Kii that suggests Gbrain as inhibitor of the isomerisation of the unloaded carrier. Previous published data, where Gbrain was quantified as a function of plasma glucose by either biochemical methods or NMR spectroscopy, were used to determine the aforementioned kinetic parameters. Glucose transport was characterized by Kt ranging from 1.5 to 3.5 mM, Tmax/CMRglc from 4.6 to 5.6, and Kii from 51 to 149 mM. It was noteworthy that Kt was on the order of a few mM, as previously determined from the reversible model. The conformational four-state exchange model of glucose transport into the brain includes both efflux and transport inhibition by Gbrain, predicting that Gbrain eventually approaches a maximum concentration. However, since Kii largely exceeds Gplasma, iso-inhibition is unlikely to be of substantial importance for plasma glucose below 25 mM. As a consequence, the reversible model can account for most experimental observations under euglycaemia and moderate cases of hypo- and hyperglycaemia.

  13. Electron collision cross sections of CHF3 and electron transport in CHF3 and CHF3-Ar mixtures

    Science.gov (United States)

    Kawaguchi, Satoru; Satoh, Kohki; Itoh, Hidenori

    2015-01-01

    A set of electron collision cross sections for trifluoromethane (CHF3) is estimated by the electron swarm method. Electron transport coefficients in CHF3, such as the electron drift velocity, longitudinal diffusion coefficient, and effective ionisation coefficient, are calculated from the estimated cross section set by the Monte Carlo method, and the values are compared with the measured data. In the case of the transport coefficients, good agreement is obtained between the calculated and measured values in a wide range of reduced electric fields. Furthermore, the transport coefficients described above and the characteristic energy in CHF3-Ar mixtures are calculated, and the values are found to agree well with the measured data. This confirms the validity of the cross section set for CHF3 estimated here.

  14. Physical Kinetics of Electrons in a High-Voltage Pulsed High-Pressure Discharge with Cylindrical Geometry

    Science.gov (United States)

    Kozhevnikov, V. Yu.; Kozyrev, A. V.; Semeniuk, N. S.

    2017-12-01

    Results of theoretical modeling of the phenomenon of a high-voltage discharge in nitrogen at atmospheric pressure are presented, based on a consistent kinetic theory of the electrons. A mathematical model of a nonstationary high-pressure discharge has been constructed for the first time, based on a description of the electron component from first principles. The physical kinetics of the electrons are described with the help of the Boltzmann kinematic equation for the electron distribution function over momenta with only ionization and elastic collisions taken into account. A detailed spatiotemporal picture of a nonstationary discharge with runaway electrons under conditions of coaxial geometry of the gas diode is presented. The model describes in a self-consistent way both the process of formation of the runaway electron flux in the discharge and the influence of this flux on the rate of ionization processes in the gas. Total energy spectra of the electron flux incident on the anode are calculated. The obtained parameters of the current pulse of the beam of fast electrons correlate well with the known experimental data.

  15. Kinetics of Evaporation of Alloying Elements under Vacuum: Application to Ti alloys in Electron Beam Melting

    Science.gov (United States)

    Choi, Wonjin; Jourdan, Julien; Matveichev, Alexey; Jardy, Alain; Bellot, Jean-Pierre

    2017-09-01

    Vacuum metallurgical processes such as the electron beam melting are highly conducive to volatilization. In titanium processing, it concerns the alloying elements which show a high vapor pressure with respect to titanium matrix, such as Al. Two different experimental approaches using a laboratory electron beam furnace have been developed for the estimation of volatilization rate and activity coefficient of Al in Ti64. The first innovative method is based on the deposition rate of Al on Si wafers located at different angles θ above the liquid bath. We found that a deposition according to a cos2(π/2-θ) law describes well the experimental distribution of the weight of the deposition layer. The second approach relies on the depletion of aluminum in the liquid pool at two separate times of the volatilization process. Both approaches provide values of the Al activity coefficient at T=1, 860 °C in a fairly narrow range [0.044-0.0495], in good agreement with the range reported in the literature. Furthermore numerical simulation of the Al behavior in the liquid pool reveals (in the specific case of electron beam button melting) a weak transport resistance in the surface boundary layer.

  16. Cross-Scale Energy Transport and Kinetic Wave Properties Associated with Kelvin-Helmholtz Instability

    Science.gov (United States)

    Moore, Thomas W.

    In the Earth's magnetosphere, the magnetotail plasma sheet ions are much hotter than in the shocked solar wind. On the dawn-sector, the cold-component ions are more abundant and hotter by 30-40 percent when compared to the dusk sector. Recent statistical studies of the flank magnetopause and magnetosheath have shown that the level of temperature asymmetry of the magnetosheath is unable to account for this (Dimmock et al., 2015), so additional physical mechanisms must be at play, either at the magnetopause or plasma sheet, that contribute to this asymmetry. This thesis focuses on ion heating across the magnetopause boundary separating the magnetosheath and the magnetospheric plasmas, which is driven by mechanisms operating on fluid, ion and electron scales. One of the pending problems in collisionless astrophysical plasmas is to understand the plasma heating and transport across three fundamental scales: fluid, ion and electron. Presented here is evidence of the energy transport between the fluid and ion scales: energy is provided by a velocity shear at the magnetopause generating fluid-scale Kelvin-Helmholtz Instability and their rolled-up vortices, where an ion-scale fast magnetosonic wave packet located in the center of a Kelvin-Helmholtz vortex has sufficient energy to account for observed cold-component ion heating. In addition, a statistical analysis is performed on the ion-scale wave properties in the three main plasma regimes common to flank magnetopause boundary crossings when the boundary is unstable to KHI: hot and tenuous magnetospheric, cold and dense magnetosheath and mixed (H. Hasegawa, Fujimoto, Phan, et al., 2004). The statistical analysis shows that during KH events there is enhanced non-adiabatic heating calculated during ion scale wave intervals when compared to non-KH events. This suggests that during KH events there is more free energy for ion-scale wave generation, which in turn can heat ions more effectively when compared to cases when KH

  17. Modelling the effect of acoustic waves on the thermodynamics and kinetics of phase transformation in a solution: Including mass transportation.

    Science.gov (United States)

    Haqshenas, S R; Ford, I J; Saffari, N

    2018-01-14

    Effects of acoustic waves on a phase transformation in a metastable phase were investigated in our previous work [S. R. Haqshenas, I. J. Ford, and N. Saffari, "Modelling the effect of acoustic waves on nucleation," J. Chem. Phys. 145, 024315 (2016)]. We developed a non-equimolar dividing surface cluster model and employed it to determine the thermodynamics and kinetics of crystallisation induced by an acoustic field in a mass-conserved system. In the present work, we developed a master equation based on a hybrid Szilard-Fokker-Planck model, which accounts for mass transportation due to acoustic waves. This model can determine the kinetics of nucleation and the early stage of growth of clusters including the Ostwald ripening phenomenon. It was solved numerically to calculate the kinetics of an isothermal sonocrystallisation process in a system with mass transportation. The simulation results show that the effect of mass transportation for different excitations depends on the waveform as well as the imposed boundary conditions and tends to be noticeable in the case of shock waves. The derivations are generic and can be used with any acoustic source and waveform.

  18. Sulfate transport kinetics and toxicity are modulated by sodium in aquatic insects.

    Science.gov (United States)

    Scheibener, Shane; Conley, Justin M; Buchwalter, David

    2017-09-01

    The salinization of freshwater ecosystems is emerging as a major ecological issue. Several anthropogenic causes of salinization (e.g. surface coal mining, hydro-fracking, road de-icing, irrigation of arid lands, etc.) are associated with biodiversity losses in freshwater ecosystems. Because insects tend to dominate freshwater ecology, it is important that we develop a better understanding of how and why different species respond to salinity matrices dominated by different major ions. This study builds upon previous work demonstrating that major ion toxicity to the mayfly Neocloeon triangulifer was apparently due to the ionic composition of water rather than specific conductance. Synthetic waters with low Ca:Mg ratios and high SO4:Na ratios produced toxicity, whereas waters with higher Ca:Mg ratios and lower SO4:Na ratios were not toxic to mayflies at comparable conductivities. Here we used a radiotracer approach to show that Mg did not competitively exclude Ca uptake at environmentally realistic ratios in 4 aquatic insect species. We characterized SO4 uptake kinetics in 5 mayflies and assessed the influence of different ions on SO4 uptake. Dual label experiments show an inverse relationship between SO4 and Na transport rates as SO4 was held constant and Na was increased, suggesting that Na (and not Cl or HCO3) is antagonistic to SO4 transport. Based on this observation, we tested the hypothesis that increasing Na would protect against SO4 induced toxicity in a Na-dependent manner. Increasing Na from 0.7 to 10.9mM improved 96-h survivorship associated with 20.8mM SO4 from 44% to 73% in a concentration dependent manner. However, when Na reached 21.8mM, survivorship decreased to 16%, suggesting that other interactive effects of major ions caused toxicity under those conditions. Thus, the combination of elevated sulfate and low sodium commonly observed in streams affected by mountaintop coal mining has the potential to cause toxicity in sensitive aquatic insects

  19. Electronic spin transport and spin precession in single graphene layers at room temperature

    NARCIS (Netherlands)

    Tombros, Nikolaos; Jozsa, Csaba; Popinciuc, Mihaita; Jonkman, Harry T.; van Wees, Bart J.

    2007-01-01

    Electronic transport in single or a few layers of graphene is the subject of intense interest at present. The specific band structure of graphene, with its unique valley structure and Dirac neutrality point separating hole states from electron states, has led to the observation of new electronic

  20. Kinetic-energy release of fragments from electron-impact dissociation of the molecular hydrogen ion and its isotopologues

    Science.gov (United States)

    Scarlett, Liam H.; Zammit, Mark C.; Fursa, Dmitry V.; Bray, Igor

    2017-08-01

    We calculate the kinetic-energy release distributions of fragments produced for electron-impact dissociation of the vibrationally excited molecular hydrogen ion H2 + and its isotopologues D2 + and T2 +. Here we apply the adiabatic-nuclei convergent close-coupling method and compare results with several different methods, including the δ approximation. Results are presented for a number of dissociative excitation transitions and dissociative ionization as a function of the initial vibrational state of the molecule. We confirm that the square root approximation is a good approximation for the adiabatic-nuclei kinetic-energy release cross sections of H2 +. Agreement with experiment, where available, is good.

  1. Kinetics and energetics of electron transfer in reaction centers of the photosynthetic bacterium Roseiflexus castenholzii.

    Science.gov (United States)

    Collins, Aaron M; Kirmaier, Christine; Holten, Dewey; Blankenship, Robert E

    2011-03-01

    The kinetics and thermodynamics of the photochemical reactions of the purified reaction center (RC)-cytochrome (Cyt) complex from the chlorosome-lacking, filamentous anoxygenic phototroph, Roseiflexus castenholzii are presented. The RC consists of L- and M-polypeptides containing three bacteriochlorophyll (BChl), three bacteriopheophytin (BPh) and two quinones (Q(A) and Q(B)), and the Cyt is a tetraheme subunit. Two of the BChls form a dimer P that is the primary electron donor. At 285K, the lifetimes of the excited singlet state, P*, and the charge-separated state P(+)H(A)(-) (where H(A) is the photoactive BPh) were found to be 3.2±0.3 ps and 200±20 ps, respectively. Overall charge separation P*→→ P(+)Q(A)(-) occurred with ≥90% yield at 285K. At 77K, the P* lifetime was somewhat shorter and the P(+)H(A)(-) lifetime was essentially unchanged. Poteniometric titrations gave a P(865)/P(865)(+) midpoint potential of +390mV vs. SHE. For the tetraheme Cyt two distinct midpoint potentials of +85 and +265mV were measured, likely reflecting a pair of low-potential hemes and a pair of high-potential hemes, respectively. The time course of electron transfer from reduced Cyt to P(+) suggests an arrangement where the highest potential heme is not located immediately adjacent to P. Comparisons of these and other properties of isolated Roseiflexus castenholzii RCs to those from its close relative Chloroflexus aurantiacus and to RCs from the purple bacteria are made. Copyright © 2010 Elsevier B.V. All rights reserved.

  2. Lipid-assisted protein transport: A diffusion-reaction model supported by kinetic experiments and molecular dynamics simulations

    Science.gov (United States)

    La Rosa, Carmelo; Scalisi, Silvia; Lolicato, Fabio; Pannuzzo, Martina; Raudino, Antonio

    2016-05-01

    The protein transport inside a cell is a complex phenomenon that goes through several difficult steps. The facilitated transport requires sophisticated machineries involving protein assemblies. In this work, we developed a diffusion-reaction model to simulate co-transport kinetics of proteins and lipids. We assume the following: (a) there is always a small lipid concentration of order of the Critical Micellar Concentration (CMC) in equilibrium with the membrane; (b) the binding of lipids to proteins modulates the hydrophobicity of the complexes and, therefore, their ability to interact and merge with the bilayer; and (c) some lipids leave the bilayer to replenish those bound to proteins. The model leads to a pair of integral equations for the time-evolution of the adsorbed proteins in the lipid bilayer. Relationships between transport kinetics, CMC, and lipid-protein binding constants were found. Under particular conditions, a perturbation analysis suggests the onset of kinks in the protein adsorption kinetics. To validate our model, we performed leakage measurements of vesicles composed by either high or low CMC lipids interacting with Islet Amyloid PolyPeptide (IAPP) and Aβ (1-40) used as sample proteins. Since the lipid-protein complex stoichiometry is not easily accessible, molecular dynamics simulations were performed using monomeric IAPP interacting with an increasing number of phospholipids. Main results are the following: (a) 1:1 lipid-protein complexes generally show a faster insertion rate proportional to the complex hydrophobicity and inversely related to lipid CMC; (b) on increasing the number of bound lipids, the protein insertion rate decreases; and (c) at slow lipids desorption rate, the lipid-assisted proteins transport might exhibit a discontinuous behavior and does non-linearly depend on protein concentration.

  3. Optically Controlled Electron-Transfer Reaction Kinetics and Solvation Dynamics: Effect of Franck-Condon States.

    Science.gov (United States)

    Gupta, Kriti; Patra, Aniket; Dhole, Kajal; Samanta, Alok Kumar; Ghosh, Swapan K

    2017-09-21

    Experimental results for optically controlled electron-transfer reaction kinetics (ETRK) and nonequilibrium solvation dynamics (NESD) of Coumarin 480 in DMPC vesicle show their dependence on excitation wavelength λex. However, the celebrated Marcus theory and linear-response-theory-based approaches for ETRK and NESD, respectively, predict both of the processes to be independent of λex. The above said lacuna in these theories prompted us to develop a novel theory in 1D space, where the effect of innumerable Franck-Condon states is included through λex. The present theory not only sheds light on the origin of failure of the existing theories but also gives the correct trend for the effect of λex on ETRK and NESD. More importantly, the calculated results of NESD are in excellent agreement with the experimental results for different values of λex. The new theory will therefore advance the knowledge of scientific community on the dynamics of photoinduced nonequilibrium processes.

  4. Induction events and short-term regulation of electron transport in chloroplasts: an overview.

    Science.gov (United States)

    Tikhonov, Alexander N

    2015-08-01

    Regulation of photosynthetic electron transport at different levels of structural and functional organization of photosynthetic apparatus provides efficient performance of oxygenic photosynthesis in plants. This review begins with a brief overview of the chloroplast electron transport chain. Then two noninvasive biophysical methods (measurements of slow induction of chlorophyll a fluorescence and EPR signals of oxidized P700 centers) are exemplified to illustrate the possibility of monitoring induction events in chloroplasts in vivo and in situ. Induction events in chloroplasts are considered and briefly discussed in the context of short-term mechanisms of the following regulatory processes: (i) pH-dependent control of the intersystem electron transport; (ii) the light-induced activation of the Calvin-Benson cycle; (iii) optimization of electron transport due to fitting alternative pathways of electron flow and partitioning light energy between photosystems I and II; and (iv) the light-induced remodeling of photosynthetic apparatus and thylakoid membranes.

  5. Bifunctional electroluminescent and photovoltaic devices using bathocuproine as electron-transporting material and an electron acceptor

    Energy Technology Data Exchange (ETDEWEB)

    Chen, L.L. [Key Laboratory of the Excited States Process, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun, 130033 (China); Graduate School of the Chinese Academy of Sciences, Beijing, 100039 (China); Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun, 130024 (China); Li, W.L. [Key Laboratory of the Excited States Process, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun, 130033 (China)]. E-mail: wllioel@yahoo.com.cn; Li, M.T. [Key Laboratory of the Excited States Process, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun, 130033 (China); Graduate School of the Chinese Academy of Sciences, Beijing, 100039 (China); Chu, B. [Key Laboratory of the Excited States Process, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun, 130033 (China)

    2007-01-15

    Electroluminescence (EL) devices, using 4, 4',4''-tris (2-methylphenyl- phenylamino) triphenylamine (m-MTDATA) as hole-transporting material and bathocuproine (BCP) as an electron-transporting material, were fabricated, which emitted bright green light peaked at 520 nm instead of the emission of m-MTDATA or BCP. It was attributed to the exciplex formation and emission at the interface of m-MTDATA and BCP. EL performance was significantly enhanced by a thin mixed layer (5 nm) of m-MTDATA and BCP inserted between the two organic layers of the original m-MTDATA/BCP bilayer device. The trilayer device showed maximum luminance of 1,205 cd/m{sup 2} at 8 V. At a luminance of 100 cd/m{sup 2}, the power efficiency is 1.64 cd/A. Commission International De L'Eclairoge (CIE) color coordinates of the output spectrum of the devices at 8 V are x=0.244 and y=0.464. These devices also showed photovoltaic (PV) properties, which were sensitive to UV light. The PV diode exhibits high open-circuit voltage (V {sub oc}) of 2.10 V under illumination of 365 nm UV light with 2 mW/cm{sup 2}. And the short-circuit current (I {sub sc}) of 92.5x10{sup -6} A/cm{sup 2}, fill factor (FF) of 0.30 and power conversion efficiency ({eta} {sub e}) of 2.91% are respectively achieved. It is considered that strong exciplex emission in an EL device is a good indicator of efficient charge transfer at the organic interface, which is a basic requirement for good PV performance. Both the bilayer and trilayer devices showed EL and PV properties, suggesting their potential use as multifunction devices.

  6. Real-time monitoring of mass-transport-related enzymatic reaction kinetics in a nanochannel-array reactor.

    Science.gov (United States)

    Li, Su-Juan; Wang, Chen; Wu, Zeng-Qiang; Xu, Jing-Juan; Xia, Xing-Hua; Chen, Hong-Yuan

    2010-09-03

    To understand the fundamentals of enzymatic reactions confined in micro-/nanosystems, the construction of a small enzyme reactor coupled with an integrated real-time detection system for monitoring the kinetic information is a significant challenge. Nano-enzyme array reactors were fabricated by covalently linking enzymes to the inner channels of a porous anodic alumina (PAA) membrane. The mechanical stability of this nanodevice enables us to integrate an electrochemical detector for the real-time monitoring of the formation of the enzyme reaction product by sputtering a thin Pt film on one side of the PAA membrane. Because the enzymatic reaction is confined in a limited nanospace, the mass transport of the substrate would influence the reaction kinetics considerably. Therefore, the oxidation of glucose by dissolved oxygen catalyzed by immobilized glucose oxidase was used as a model to investigate the mass-transport-related enzymatic reaction kinetics in confined nanospaces. The activity and stability of the enzyme immobilized in the nanochannels was enhanced. In this nano-enzyme reactor, the enzymatic reaction was controlled by mass transport if the flux was low. With an increase in the flux (e.g., >50 microL min(-1)), the enzymatic reaction kinetics became the rate-determining step. This change resulted in the decrease in the conversion efficiency of the nano-enzyme reactor and the apparent Michaelis-Menten constant with an increase in substrate flux. This nanodevice integrated with an electrochemical detector could help to understand the fundamentals of enzymatic reactions confined in nanospaces and provide a platform for the design of highly efficient enzyme reactors. In addition, we believe that such nanodevices will find widespread applications in biosensing, drug screening, and biochemical synthesis.

  7. Mediated Electron Transfer at Redox Active Monolayers. Part 4: Kinetics of Redox Enzymes Coupled With Electron Mediators

    Directory of Open Access Journals (Sweden)

    Michael E.G. Lyons

    2003-01-01

    Full Text Available A detailed kinetic analysis of the pertinent physical processes underlying the operation of enzyme electrodes immobilized within alkane thiol self assembled monolayers is developed. These electrodes utilize a soluble mediator, which partitions into the monolayer, regenerates the active catalytic form of the enzyme and is re-oxidized at the underlying support electrode surface giving rise to a current which reflects kinetic events at the enzyme surface. Both the enzyme/substrate and enzyme mediator kinetics have been quantified fully in terms of a ping-pong mechanism for the former and Michaelis-Menten kinetics for the latter. The effect of substrate and mediator diffusion in solution have also been specifically considered and the latter processes have been shown to result in a complex expression for the reaction flux. Four limiting kinetic cases have been enumerated and simple expressions for the reaction flux in each of these rate limiting situations have been developed. Kinetic case diagrams have been presented as an aid to mechanistic diagnosis. The complicating effects of diffusive loss of reduced mediator from the enzyme layer have also been examined and the relation between the observed flux corresponding to reduced mediator oxidation at the support electrode and the substrate reaction flux in the enzyme layer have been quantified in terms of an efficiency factor. Results extracted from recently published practical realizations of immobilized monolayer enzyme systems have been discussed in the context of the proposed model analysis.

  8. The effect of electron induced hydrogenation of graphene on its electrical transport properties

    Energy Technology Data Exchange (ETDEWEB)

    Woo, Sung Oh [Department of Physics and Astronomy, Texas A and M University, College Station, Texas 77843 (United States); Teizer, Winfried [Department of Physics and Astronomy, Texas A and M University, College Station, Texas 77843 (United States); WPI-Advanced Institute for Materials Research, Tohoku University, Sendai (Japan)

    2013-07-22

    We report a deterioration of the electrical transport properties of a graphene field effect transistor due to energetic electron irradiation on a stack of Poly Methyl Methacrylate (PMMA) on graphene (PMMA/graphene bilayer). Prior to electron irradiation, we observed that the PMMA layer on graphene does not deteriorate the carrier transport of graphene but improves its electrical properties instead. As a result of the electron irradiation on the PMMA/graphene bilayer, the Raman “D” band appears after removal of PMMA. We argue that the degradation of the transport behavior originates from the binding of hydrogen generated during the PMMA backbone secession process.

  9. Numerical validation of a Eulerian hydrochemical code using a 1D multisolute mass transport system involving heterogeneous kinetically controlled reactions

    Science.gov (United States)

    Gérard, F.; Clément, A.; Fritz, B.

    1998-04-01

    It is demonstrated that at steady state, the 1D thermo-kinetic hydrochemical Eulerian mass balance equations in pure advective mode are indeed identical to the governing mass balance equations of a single reaction path (or geochemical) code in open system mode. Thus, both calculated reaction paths should be theoretically identical whatever the chemical complexity of the water-rock system (i.e., multicomponent, multireaction zones kinetically and equilibrium-controlled). We propose to use this property to numerically test the thermo-kinetic hydrochemical Eulerian codes and we employ it to verify the algorithm of the 1D finite difference code KIRMAT. Compared to the other methods to perform such numerical tests (i.e., comparisons with analytical, semi-analytical solutions, between two Eulerian hydrochemical codes), the advantage of this new method is the absence of constraints on the chemical complexity of the modelled water-rock systems. Moreover, the same thermo-kinetic databases and geochemical functions can be easily and mechanically used in both calculations, when the numerical reference comes from the Eulerian code with no transport terms ( u and D=0) and modify to be consistent with the definition of the open system mode in geochemical modelling. The ability of KIRMAT to treat multicomponent pure advective transport, subjected to several kinetically equilibrium-controlled dissolution and precipitation reactions, and to track their boundaries has been successfully verified with the property of interest. The required numerical validation of the reference calculations is bypassed in developing the Eulerian code from an already checked single reaction path code. A forward time-upstream weighting scheme (a mixing cell scheme) is used in this study. An appropriate choice of grid spacing allows to calculate within the grid size uncertainty the correct mineral reaction zone boundaries, despite the presence of numerical dispersion. Its correction enables us to improve

  10. Electron transport in carbon tetrafluoride along a magnetically neutral plane between constant gradient antiparallel magnetic fields

    OpenAIRE

    Sugawara, Hirotake; Sakai, Yosuke

    2008-01-01

    Electron motion in CF4 at 0.67 Pa under crossed electric (E) and magnetic (B) fields was simulated by a Monte Carlo method to investigate fundamental properties of electron transport in neutral loop discharge plasmas for dry etching. As a simplified model of the electron path in the plasma, a magnetically neutral plane was assumed between linearly gradient antiparallel B fields, and a uniform E field was applied along the neutral plane perpendicularly to the B fields. The electron behavio...

  11. Mineral solubility and free energy controls on microbial reaction kinetics: Application to contaminant transport in the subsurface

    Energy Technology Data Exchange (ETDEWEB)

    Taillefert, Martial [Georgia Inst. of Technology, Atlanta, GA (United States); Van Cappellen, Philippe [Univ. of Waterloo, ON (Canada)

    2016-11-14

    Recent developments in the theoretical treatment of geomicrobial reaction processes have resulted in the formulation of kinetic models that directly link the rates of microbial respiration and growth to the corresponding thermodynamic driving forces. The overall objective of this project was to verify and calibrate these kinetic models for the microbial reduction of uranium(VI) in geochemical conditions that mimic as much as possible field conditions. The approach combined modeling of bacterial processes using new bioenergetic rate laws, laboratory experiments to determine the bioavailability of uranium during uranium bioreduction, evaluation of microbial growth yield under energy-limited conditions using bioreactor experiments, competition experiments between metabolic processes in environmentally relevant conditions, and model applications at the field scale. The new kinetic descriptions of microbial U(VI) and Fe(III) reduction should replace those currently used in reactive transport models that couple catabolic energy generation and growth of microbial populations to the rates of biogeochemical redox processes. The above work was carried out in collaboration between the groups of Taillefert (batch reactor experiments and reaction modeling) at Georgia Tech and Van Cappellen (retentostat experiments and reactive transport modeling) at University of Waterloo (Canada).

  12. Electron transport in the plasma edge with rotating resonant magnetic perturbations at the TEXTOR tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Stoschus, Henning

    2011-10-13

    Small three-dimensional (3D) magnetic perturbations can be used as a tool to control the edge plasma parameters in magnetically confined plasmas in high confinement mode (''H-mode'') to suppress edge instabilities inherent to this regime, the Edge Localized Modes (ELMs). In this work, the impact of rotating 3D resonant magnetic perturbation (RMP) fields on the edge plasma structure characterized by electron density and temperature fields is investigated. We study a low confinement (L-mode) edge plasma (r/a>0.9) with high resistivity (edge electron collisionality {nu}{sup *}{sub e}>4) at the TEXTOR tokamak. The plasma structure in the plasma edge is measured by a set of high resolution diagnostics: a fast CCD camera ({delta}t=20 {mu}s) is set up in order to visualize the plasma structure in terms of electron density variations. A supersonic helium beam diagnostic is established as standard diagnostic at TEXTOR to measure electron density n{sub e} and temperature T{sub e} with high spatial ({delta}r=2 mm) and temporal resolution ({delta}t=20 {mu}s). The measured plasma structure is compared to modeling results from the fluid plasma and kinetic neutral transport code EMC3-EIRENE. A sequence of five new observations is discussed: (1) Imaging of electron density variations in the plasma edge shows that a fast rotating RMP field imposes an edge plasma structure, which rotates with the external RMP rotation frequency of vertical stroke {nu}{sub RMP} vertical stroke =1 kHz. (2) Measurements of the electron density and temperature provide strong experimental evidence that in the far edge a rotating 3D scrape-off layer (SOL) exists with helical exhaust channels to the plasma wall components. (3) Radially inward, the plasma structure at the next rational flux surface is found to depend on the relative rotation between external RMP field and intrinsic plasma rotation. For low relative rotation the plasma structure is dominated by a particle and energy loss

  13. Kinetic Temperature and Electron Density Measurement in an Inductively Coupled Plasma Torch using Degenerate Four-Wave Mixing

    Science.gov (United States)

    Schafer, Julia; Lyons, Wendy; Tong, WIlliam G.; Danehy, Paul M.

    2008-01-01

    Laser wave mixing is presented as an effective technique for spatially resolved kinetic temperature measurements in an atmospheric-pressure radio-frequency inductively-coupled plasma. Measurements are performed in a 1 kW, 27 MHz RF plasma using a continuous-wave, tunable 811.5-nm diode laser to excite the 4s(sup 3)P2 approaches 4p(sup 3)D3 argon transition. Kinetic temperature measurements are made at five radial steps from the center of the torch and at four different torch heights. The kinetic temperature is determined by measuring simultaneously the line shape of the sub-Doppler backward phase-conjugate degenerate four-wave mixing and the Doppler-broadened forward-scattering degenerate four-wave mixing. The temperature measurements result in a range of 3,500 to 14,000 K+/-150 K. Electron densities measured range from 6.1 (+/-0.3) x 10(exp 15)/cu cm to 10.1 (+/-0.3) x 10(exp 15)/cu cm. The experimental spectra are analyzed using a perturbative treatment of the backward phase-conjugate and forward-geometry wave-mixing theory. Stark width is determined from the collisional broadening measured in the phase-conjugate geometry. Electron density measurements are made based on the Stark width. The kinetic temperature of the plasma was found to be more than halved by adding deionized water through the nebulizer.

  14. Modified Monte Carlo method for study of electron transport in degenerate electron gas in the presence of electron–electron interactions, application to graphene

    Energy Technology Data Exchange (ETDEWEB)

    Borowik, Piotr, E-mail: pborow@poczta.onet.pl [Warsaw University of Technology, Faculty of Physics, ul. Koszykowa 75, 00-662 Warszawa (Poland); Thobel, Jean-Luc, E-mail: jean-luc.thobel@iemn.univ-lille1.fr [Institut d' Electronique, de Microélectronique et de Nanotechnologies, UMR CNRS 8520, Université Lille 1, Avenue Poincaré, CS 60069, 59652 Villeneuve d' Ascq Cédex (France); Adamowicz, Leszek, E-mail: adamo@if.pw.edu.pl [Warsaw University of Technology, Faculty of Physics, ul. Koszykowa 75, 00-662 Warszawa (Poland)

    2017-07-15

    Standard computational methods used to take account of the Pauli Exclusion Principle into Monte Carlo (MC) simulations of electron transport in semiconductors may give unphysical results in low field regime, where obtained electron distribution function takes values exceeding unity. Modified algorithms were already proposed and allow to correctly account for electron scattering on phonons or impurities. Present paper extends this approach and proposes improved simulation scheme allowing including Pauli exclusion principle for electron–electron (e–e) scattering into MC simulations. Simulations with significantly reduced computational cost recreate correct values of the electron distribution function. Proposed algorithm is applied to study transport properties of degenerate electrons in graphene with e–e interactions. This required adapting the treatment of e–e scattering in the case of linear band dispersion relation. Hence, this part of the simulation algorithm is described in details.

  15. Radial transport of radiation belt electrons due to stormtime Pc5 waves

    Directory of Open Access Journals (Sweden)

    A. Y. Ukhorskiy

    2009-05-01

    Full Text Available During geomagnetic storms relativistic electron fluxes in the outer radiation belt exhibit dynamic variability over multiple orders of magnitude. This requires radial transport of electrons across their drift shells and implies violation of their third adiabatic invariant. Radial transport is induced by the interaction of the electron drift motion with electric and magnetic field fluctuations in the ULF frequency range. It was previously shown that solar-wind driven ULF waves have long azimuthal wave lengths and thus can violate the third invariant of trapped electrons in the process of resonant interaction with their gradient-curvature motion. However, the amplitude of solar-wind driven ULF waves rapidly decreases with decreasing L. It is therefore not clear what mechanisms are responsible for fast transport rates observed inside the geosynchronous orbit. In this paper we investigate wether stormtime Pc5 waves can contribute to this process. Stormtime Pc5s have short azimuthal wave lengths and therefore cannot exhibit resonance with the the electron drift motion. However we show that stormtime Pc5s can cause localized random scattering of electron drift motion that violates the third invariant. According to our results electron interaction with stormtime Pc5s can produce rapid radial transport even as low as L≃4. Numerical simulations show that electron transport can exhibit large deviations from radial diffusion. The diffusion approximation is not valid for individual storms but only applies to the statistically averaged response of the outer belt to stormtime Pc5 waves.

  16. Coupling between electronic transport and longitudinal phonons in suspended nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Sapmaz, S; Jarillo-Herrero, P; Blanter, Ya M; Zant, H S J van der [Kavli Institute of Nanoscience, Delft University of Technology, PO Box 5046, 2600 GA Delft (Netherlands)

    2005-11-15

    Current-voltage characteristics of suspended single-wall carbon nanotube (NT) quantum dots show a series of steps equally spaced in voltage. The energy scale of this harmonic, low-energy excitation spectrum is consistent with that of the longitudinal low-k phonon mode in the NT. Agreement is found with a Franck-Condon-based model in which the phonon-assisted tunnelling process is modelled as a coupling of electronic levels to underdamped quantum harmonic oscillators. Comparison with this model indicates a rather strong electron-phonon coupling factor of order unity. We investigate different electron-phonon coupling mechanisms and give estimates of the coupling factor.

  17. Electron transport system activity of microfouling material: Relationships with biomass parameters

    Digital Repository Service at National Institute of Oceanography (India)

    Bhosle, N.B.; Tulaskar, A.; Wagh, A.B.

    Microfouling material developed on aluminium panels immersed in surface waters of the Dona Paula Bay, Goa India was analysed for biomass (measured as dry weight, organic crabon, protein and chlorophyll @ia@@) and electron transport system actitity...

  18. Color stable white phosphorescent organic light emitting diodes with red emissive electron transport layer

    Energy Technology Data Exchange (ETDEWEB)

    Wook Kim, Jin; Yoo, Seung Il; Sung Kang, Jin [Department of Green Energy & Semiconductor Engineering, Hoseo University, Asan 336-795 (Korea, Republic of); Eun Lee, Song; Kwan Kim, Young [Department of Information Display, Hongik University, Seoul 121-791 (Korea, Republic of); Hwa Yu, Hyeong; Turak, Ayse [Department of Engineering Physics, McMaster University, Hamilton, Ontario L8S 4L7 (Canada); Young Kim, Woo, E-mail: wykim@hoseo.edu [Department of Green Energy & Semiconductor Engineering, Hoseo University, Asan 336-795 (Korea, Republic of); Department of Engineering Physics, McMaster University, Hamilton, Ontario L8S 4L7 (Canada)

    2015-06-28

    We analyzed the performance of multi-emissive white phosphorescent organic light-emitting diodes (PHOLEDs) in relation to various red emitting sites of hole and electron transport layers (HTL and ETL). The shift of the recombination zone producing stable white emission in PHOLEDs was utilized as luminance was increased with red emission in its electron transport layer. Multi-emissive white PHOLEDs including the red light emitting electron transport layer yielded maximum external quantum efficiency of 17.4% with CIE color coordinates (−0.030, +0.001) shifting only from 1000 to 10 000 cd/m{sup 2}. Additionally, we observed a reduction of energy loss in the white PHOLED via Ir(piq){sub 3} as phosphorescent red dopant in electron transport layer.

  19. Electron transport and electrocatalytic properties of MWCNT/nickel nanocomposites: hydrazine and diethylaminoethanethiol as analytical probes

    CSIR Research Space (South Africa)

    Adekunle, AS

    2010-06-01

    Full Text Available This work describes the electron transport and electrocatalytic properties of chemically-synthesized nickel (Ni) and nickel oxide (NiO) nanoparticles supported on multi-walled carbon nanotubes (MWCNT) platforms. Successful modification...

  20. Overcoming kinetic limitations of electron injection in the dye solar cell via coadsorption and FRET.

    Science.gov (United States)

    Siegers, Conrad; Würfel, Uli; Zistler, Markus; Gores, Heiner; Hohl-Ebinger, Jochen; Hinsch, Andreas; Haag, Rainer

    2008-04-04

    A new, extremely simple concept for the use of energy transfer as a means to the enhancement of light absorption and current generation in the dye solar cell (DSC) is presented. This model study is based upon a carboxy-functionalized 4-aminonaphthalimide dye (carboxy-fluorol) as donor, and (NBu4)2[Ru(dcbpy)2(NCS)2] (N719) as acceptor chromophores. A set of three different devices is assembled containing either exclusively carboxy-fluorol or N719, or a mixture of both. This set of transparent devices is characterized via IV-measurements under AM1.5G and monochromatic illumination and their light-harvesting and external quantum efficiencies (LHE and EQE, respectively) are determined as well. It is shown that the device containing only the donor chromophore has a marginal power conversion efficiency, thus indicating that carboxy-fluorol is a poor sensitizer for the DSC. Cyclovoltametric measurements show that the poor sensitization ability arises from the kinetic inhibition of electron injection into the TiO2 conduction band. Comparing the spectral properties of the DSCs assembled presently, however, demonstrates that light absorbed by carboxy-fluorol is almost quantitatively contributing to the photocurrent if N719 is present as an additional sensitizer. In this case, N719 acts as a catalyst for the sensitization of TiO2 by carboxy-fluorol in addition to being a photosensitizer. Evaluation of the maximum output power under blue illumination shows that the introduction of an energy-donor moiety via coadsorption, leads to a significant increase in the monochromatic maximum output power. This result demonstrates that energy transfer between coadsorbed chromophores could be useful for the generation of current in dye-sensitized solar cells.

  1. CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Vazart, Fanny; Latouche, Camille; Skouteris, Dimitrios; Barone, Vincenzo [Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56125 Pisa (Italy); Balucani, Nadia [Dipartimento di Chimica, Biologia e Biotecnologie, Universitá degli Studi di Perugia, Via Elce di Sotto 8, I-06123 Perugia (Italy)

    2015-09-10

    New insights into the formation of interstellar cyanomethanimine, a species of great relevance in prebiotic chemistry, are provided by electronic structure and kinetic calculations for the reaction CN + CH{sub 2} = NH. This reaction is a facile formation route of Z,E-C-cyanomethanimine, even under the extreme conditions of density and temperature typical of cold interstellar clouds. E-C-cyanomethanimine has been recently identified in Sgr B2(N) in the Green Bank Telescope (GBT) PRIMOS survey by P. Zaleski et al. and no efficient formation routes have been envisaged so far. The rate coefficient expression for the reaction channel leading to the observed isomer E-C-cyanomethanimine is 3.15 × 10-10 × (T/300){sup 0.152} × e{sup (−0.0948/T)}. According to the present study, the more stable Z-C-cyanomethanimine isomer is formed with a slightly larger yield (4.59 × 10{sup −10} × (T/300){sup 0.153} × e{sup (−0.0871/T)}. As the detection of E-isomer is favored due to its larger dipole moment, the missing detection of the Z-isomer can be due to the sensitivity limit of the GBT PRIMOS survey and the detection of the Z-isomer should be attempted with more sensitive instrumentation. The CN + CH{sub 2} = NH reaction can also play a role in the chemistry of the upper atmosphere of Titan where the cyanomethanimine products can contribute to the buildup of the observed nitrogen-rich organic aerosols that cover the moon.

  2. Ultrafast electron transport across nano gaps in nanowire circuits

    Energy Technology Data Exchange (ETDEWEB)

    Potma, Eric O. [Univ. of California, Irvine, CA (United States)

    2015-07-31

    In this Program we aim for a closer look at electron transfer through single molecules. To achieve this, we use ultrafast laser pulses to time stamp an electron tunneling event in a molecule that is connected between two metallic electrodes, while reading out the electron current. A key aspect of this project is the use of metallic substrates with plasmonic activity to efficiently manipulate the tunneling probability. The first Phase of this program is concerned with developing highly sensitive tools for the ultrafast optical manipulation of tethered molecules through the evanescent surface field of plasmonic substrates. The second Phase of the program aims to use these tools for exercising control over the electron tunneling probability.

  3. Nonlinear charge transport in bipolar semiconductors due to electron heating

    Energy Technology Data Exchange (ETDEWEB)

    Molina-Valdovinos, S., E-mail: sergiom@fisica.uaz.edu.mx [Universidad Autónoma de Zacatecas, Unidad Académica de Física, Calzada Solidaridad esq. Paseo, La Bufa s/n, CP 98060, Zacatecas, Zac, México (Mexico); Gurevich, Yu.G. [Centro de Investigación y de Estudios Avanzados del IPN, Departamento de Física, Av. IPN 2508, México D.F., CP 07360, México (Mexico)

    2016-05-27

    It is known that when strong electric field is applied to a semiconductor sample, the current voltage characteristic deviates from the linear response. In this letter, we propose a new point of view of nonlinearity in semiconductors which is associated with the electron temperature dependence on the recombination rate. The heating of the charge carriers breaks the balance between generation and recombination, giving rise to nonequilibrium charge carriers concentration and nonlinearity. - Highlights: • A new mechanism of nonlinearity of current-voltage characteristic (CVC) is proposed. • The hot electron temperature violates the equilibrium between electrons and holes. • This violation gives rise to nonequilibrium concentration of electrons and holes. • This leads to nonlinear CVC (along with the heating nonlinearity).

  4. The Role of Electron Transport and Trapping in MOS Total-Dose Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Fleetwood, D.M.; Winokur, P.S.; Riewe, L.C.; Flament, O.; Paillet, P.; Leray, J.L.

    1999-07-19

    Radiation-induced hole and electron transport and trapping are fundamental to MOS total-dose models. Here we separate the effects of electron-hole annihilation and electron trapping on the neutralization of radiation-induced charge during switched-bias irradiation for hard and soft oxides, via combined thermally stimulated current (TSC) and capacitance-voltage measurements. We also show that present total-dose models cannot account for the thermal stability of deeply trapped electrons near the Si/SiO{sub 2} interface, or the inability of electrons in deep or shallow traps to contribute to TSC at positive bias following (1) room-temperature, (2) high-temperature, or (3) switched-bias irradiation. These results require revisions of modeling parameters and boundary conditions for hole and electron transport in SiO{sub 2}. The nature of deep and shallow electron traps in the near-interfacial SiO{sub 2} is discussed.

  5. Theory of Electron Transport in Semiconductors A Pathway from Elementary Physics to Nonequilibrium Green Functions

    CERN Document Server

    Jacoboni, Carlo

    2010-01-01

    This book describes in details the theory of the electron transport in the materials and structures at the basis of modern micro- and nano-electronics. It leads and accompanies the reader, through a step-by-step derivation of all calculations, from the basic laws of classical and quantum physics up to the most modern theoretical techniques, such as nonequilibrium Green functions, to study transport properties of both semiconductor materials and modern low-dimensional and mesoscopic structures.

  6. Highly relativistic radiation belt electron acceleration, transport, and loss: Large solar storm events of March and June 2015.

    Science.gov (United States)

    Baker, D N; Jaynes, A N; Kanekal, S G; Foster, J C; Erickson, P J; Fennell, J F; Blake, J B; Zhao, H; Li, X; Elkington, S R; Henderson, M G; Reeves, G D; Spence, H E; Kletzing, C A; Wygant, J R

    2016-07-01

    Two of the largest geomagnetic storms of the last decade were witnessed in 2015. On 17 March 2015, a coronal mass ejection-driven event occurred with a Dst (storm time ring current index) value reaching -223 nT. On 22 June 2015 another strong storm ( Dst reaching -204 nT) was recorded. These two storms each produced almost total loss of radiation belt high-energy ( E  ≳ 1 MeV) electron fluxes. Following the dropouts of radiation belt fluxes there were complex and rather remarkable recoveries of the electrons extending up to nearly 10 MeV in kinetic energy. The energized outer zone electrons showed a rich variety of pitch angle features including strong "butterfly" distributions with deep minima in flux at α  = 90°. However, despite strong driving of outer zone earthward radial diffusion in these storms, the previously reported "impenetrable barrier" at L  ≈ 2.8 was pushed inward, but not significantly breached, and no E  ≳ 2.0 MeV electrons were seen to pass through the radiation belt slot region to reach the inner Van Allen zone. Overall, these intense storms show a wealth of novel features of acceleration, transport, and loss that are demonstrated in the present detailed analysis.

  7. Highly Relativistic Radiation Belt Electron Acceleration, Transport, and Loss: Large Solar Storm Events of March and June 2015

    Science.gov (United States)

    Baker, D. N.; Jaynes, A. N.; Kanekal, S. G.; Foster, J.C.; Erickson, P. J.; Fennell, Joseph; Blake, J. B.; Zhao, H.; Li, X.; Elkington, S. R.; hide

    2016-01-01

    Two of the largest geomagnetic storms of the last decade were witnessed in 2015. On 17 March 2015, a coronal mass ejection-driven event occurred with a Dst (Disturbance Storm Time Ring Current Index) value reaching 223 nanoteslas. On 22 June 2015 another strong storm (Dst reaching 204 nanoteslas) was recorded. These two storms each produced almost total loss of radiation belt high-energy (E (Energy) greater than or approximately equal to 1 millielectronvolt) electron fluxes. Following the dropouts of radiation belt fluxes there were complex and rather remarkable recoveries of the electrons extending up to nearly 10 millielectronvolts in kinetic energy. The energized outer zone electrons showed a rich variety of pitch angle features including strong butterfly distributions with deep minima in flux at alpha equals 90 degrees. However, despite strong driving of outer zone earthward radial diffusion in these storms, the previously reported impenetrable barrier at L (L-shell magnetic field line value) approximately equal to 2.8 was pushed inward, but not significantly breached, and no E (Energy) greater than or approximately equal to 2.0 millielectronvolts electrons were seen to pass through the radiation belt slot region to reach the inner Van Allen zone. Overall, these intense storms show a wealth of novel features of acceleration, transport, and loss that are demonstrated in the present detailed analysis.

  8. The kinetic energy spectrum of protons produced by the dissociative ionization of H2 by electron impact

    Science.gov (United States)

    Khakoo, M. A.; Srivastava, S. K.

    1985-01-01

    The kinetic energy spectra of protons resulting from the dissociative ionization of H2 by electron impact have been measured for electron impact energies from threshold (approximately 17 eV) to 160 eV at 90 deg and 30 deg detection angles, using a crossed-beam experimental arrangement. To check reliability, two separate proton energy analysis methods have been employed, i.e., a time-of-flight proton energy analysis and an electrostatic hemispherical energy analyzer. The present results are compared with previous measurements.

  9. Spin dependent transport of hot electrons through ultrathin epitaxial metallic films

    Energy Technology Data Exchange (ETDEWEB)

    Heindl, Emanuel

    2010-06-23

    In this work relaxation and transport of hot electrons in thin single crystalline metallic films is investigated by Ballistic Electron Emission Microscopy. The electron mean free paths are determined in an energy interval of 1 to 2 eV above the Fermi level. While fcc Au-films appear to be quite transmissive for hot electrons, the scattering lengths are much shorter for the ferromagnetic alloy FeCo revealing, furthermore, a strong spin asymmetry in hot electron transport. Additional information is gained from temperature dependent studies in combination with golden rule approaches in order to disentangle the impact of several relaxation and transport properties. It is found that bcc Fe-films are much less effective in spin filtering than films made of the FeCo-alloy. (orig.)

  10. Anoxygenic photosynthetic hydrogen production and electron transport in the cyanobacterium oscillatoria limnetica.

    Science.gov (United States)

    Sybesma, C; Schowanek, D; Slooten, L; Walravens, N

    1986-01-01

    The induction of anoxygenic photosynthesis in the cyanobacterium Oscillatoria limnetica by sulfide was shown to involve the synthesis of a "sulfide oxidizing factor"; this factor, partly adsorbed on the thylakoid membrane, can be recovered in the soluble phase and is active also on membranes from oxygenically grown cells. The factor is required for sulfide dependent light-induced hydrogen evolution. It accelerates electron transport from sulfide to the electron donor of photosystem I, P700, in membranes from cells in which anoxygenic photosynthesis is induced. The plastiquinone analogue DBMIB does not inhibit electron transport to P700 but accelerates it. The analogue might promote cyclic electron transport involving P700, thus preventing electrons to reach hydrogenase.

  11. [Electron transport chain in a thermophilic methane-oxidizing culture of Methylococcus thermophilus].

    Science.gov (United States)

    Sokolova, I G; Malashenko, Iu R; Romanovskaia, V A

    1981-01-01

    The electron transport chain was studied in the obligate methane oxidizing culture of Methylococcus thermophilus during the oxidation of methanol (the source of carbon) which is an oxidized derivative of methane as well as during the oxidation of hydroxylamine which is an intermediate in the oxidation of ammonium (the source of nitrogen) by Mc. thermophilus cells. Cytochromes a, b and c are involved in electron transport. Cytochrome cco and cytochrome c554 have been isolated from the cell-free extract of Mc. thermophilus and purified. A scheme for electron transport operating in the oxidation of methanol and hydroxylamine is suggested on the basis of studying the characteristics of these cytochromes. Cytochrome a was shown to be a component of terminal oxidase. Cytochromes b are connected with membranes and also found in the composition of hydroxylamine oxidase. Cytochrome cco and, possibly, terminal oxidase (cytochromes a) are involved, in the oxidation of CH3OH by methanol dehydrogenase, in electron transport; cytochrome c554 as well as cytochrome b and c in the composition of hydroxylamine oxidase participate in electron transport in the oxidation of NH2OH by hydroxylamine oxidase. The characteristics of the electron transport system in Mc. thermophilus are discussed.

  12. Transport of reactive colloids and contaminants in groundwater: effect of nonlinear kinetic interactions.

    NARCIS (Netherlands)

    Weerd, van de H.; Leijnse, A.; Riemsdijk, van W.H.

    1998-01-01

    Transport of reactive colloids in groundwater may enhance the transport of contaminants in groundwater. Often, the interpretation of results of transport experiments is not a simple task as both reactions of colloids with the solid matrix and reactions of contaminants with the solid matrix and

  13. Bulk packaging for consumer electronics products as a strategy for eco-efficient transportation

    NARCIS (Netherlands)

    Wever, R.; Boks, C.B.; Stevels, A.L.N.

    2006-01-01

    By postponing the packing of consumer electronics (CE) products into their final consumer package, until after long-distance transportation, substantial economic savings and environmental improvements can be achieved, due to higher efficiency during transportation. In such a case, long-distance

  14. Bulk packaging for consumer electronics products as a strategy for eco-efficient transportation

    NARCIS (Netherlands)

    Wever, R.; Boks, C.B.; Stevels, A.L.N.

    By postponing the packing of consumer electronics (CE) products into their final consumer package, until after long-distance transportation, substantial economic savings and environmental improvements can be achieved, due to higher efficiency during transportation. In such a case, long-distance

  15. Electron transport in edge-disordered graphene nanoribbons

    DEFF Research Database (Denmark)

    Saloriutta, Karri; Hancock, Y.; Karkkainen, Asta

    2011-01-01

    Ab initio methods are used to study the spin-resolved transport properties of graphene nanoribbons (GNRs) that have both chemical and structural edge disorder. Oxygen edge adsorbates on ideal and protruded ribbons are chosen as representative examples, with the protrusions forming the smallest...

  16. Molecular Electronics: Insight from First-Principles Transport Simulations

    DEFF Research Database (Denmark)

    Paulsson, Magnus; Frederiksen, Thomas; Brandbyge, Mads

    2010-01-01

    Conduction properties of nanoscale contacts can be studied using first-principles simulations. Such calculations give insight into details behind the conductance that is not readily available in experiments. For example, we may learn how the bonding conditions of a molecule to the electrodes affe...... the atomic arrangement and transport channels....

  17. Electronic spin transport in graphene field-effect transistors

    NARCIS (Netherlands)

    Popinciuc, M.; Jozsa, C.; Zomer, P. J.; Tombros, N.; Veligura, A.; Jonkman, H. T.; van Wees, B. J.

    2009-01-01

    Spin transport experiments in graphene, a single layer of carbon atoms ordered in a honeycomb lattice, indicate spin-relaxation times that are significantly shorter than the theoretical predictions. We investigate experimentally whether these short spin-relaxation times are due to extrinsic factors,

  18. Comparison between s - and d -electron mediated transport in a photoswitching dithienylethene molecule using ab initio transport methods

    KAUST Repository

    Odell, Anders

    2011-10-03

    The influence of the electrode\\'s Fermi surface on the transport properties of a photoswitching molecule is investigated with state-of-the-art ab initio transport methods. We report results for the conducting properties of the two forms of dithienylethene attached either to Ag or to nonmagnetic Ni leads. The I-V curves of the Ag/dithienylethene/Ag device are found to be very similar to those reported previously for Au. In contrast, when Ni is used as the electrode material the zero-bias transmission coefficient is profoundly different as a result of the role played by the Ni d bands in the bonding between the molecule and the electrodes. Intriguingly, despite these differences the overall conducting properties depend little on the electrode material. We thus conclude that electron transport in dithienylethene is, for the cases studied, mainly governed by the intrinsic electronic structure of the molecule. © 2011 American Physical Society.

  19. Transportation Accessibility and Location Choice of Japanese-Funded Electronic Information Manufacturing Firms in Shanghai

    OpenAIRE

    Haining Jiang; Wei Xu; Wenzhong Zhang

    2018-01-01

    With the rapid development of globalization, information communication and transportation, it is argued that the effect of transportation accessibility in the location choice of manufacturing firms has diminished. However, comprehensive and systematic research on the impact of transportation accessibility on firm location choice in cities remains scarce. Taking Shanghai as the research area, this paper uses a catalog of Japanese-funded electronic information manufacturing firms to explore the...

  20. Treatment of the electrons-photons cascade in the high energy gamma transport; Traitement de la cascade electrons - photons dans le transport des gammas de haute energie

    Energy Technology Data Exchange (ETDEWEB)

    Riz, D

    1999-10-01

    The electrons-photons cascade is an important phenomena occurring in gamma transport. This phenomena called also Bremsstrahlung happens whenever electrons, produced in a photon-atom interaction, trigger emission of photons while slowing down in the matter. Some previous calculations have shown that in particular circumstances, a flux of photons going through a lead plate can be multiplied by 3 when Bremsstrahlung is taken into account. This work is dedicated to a new method developed in CEA to take into account Bremsstrahlung in any gamma transport code using multigroup constants. An electron or a positron produced by an incident photon {gamma} will move till it has lost all its energy in collisions or in emissions of Bremsstrahlung {gamma}'. The path of the electron is short so all the Bremsstrahlung {gamma}' are assumed to be produced at the point of creation of the electron or positron. The result of this method is the knowledge of a transfer probability {gamma}{yields}{gamma}' that can be used in classical gamma transport codes. (A.C.)

  1. Blue emitting 1,8-naphthalimides with electron transport properties for organic light emitting diode applications

    Science.gov (United States)

    Ulla, Hidayath; Kiran, M. Raveendra; Garudachari, B.; Ahipa, T. N.; Tarafder, Kartick; Adhikari, Airody Vasudeva; Umesh, G.; Satyanarayan, M. N.

    2017-09-01

    In this article, the synthesis, characterization and use of two novel naphthalimides as electron-transporting emitter materials for organic light emitting diode (OLED) applications are reported. The molecules were obtained by substituting electron donating chloro-phenoxy group at the C-4 position. A detailed optical, thermal, electrochemical and related properties were systematically studied. Furthermore, theoretical calculations (DFT) were performed to get a better understanding of the electronic structures. The synthesized molecules were used as electron transporters and emitters in OLEDs with three different device configurations. The devices with the molecules showed blue emission with efficiencies of 1.89 cdA-1, 0.98 lmW-1, 0.71% at 100 cdm-2. The phosphorescent devices with naphthalimides as electron transport materials displayed better performance in comparison to the device without any electron transporting material and were analogous with the device using standard electron transporting material, Alq3. The results demonstrate that the naphthalimides could play a significant part in the progress of OLEDs.

  2. Properties and Implications of Radial Transport in the Outer Electron Belt

    Science.gov (United States)

    Ukhorskiy, A. Y.; Sitnov, M. I.; Millan, R. M.; Kress, B. T.

    2011-12-01

    Earth's outer radiation belt extends above approximately 3.5 Re and is populated by relativistic electrons trapped in the geomagnetic field. Radiation levels across the belt can vary by multiple orders of magnitude on the time scales ranging from minutes to days. One of the basic processes leading to global variability of radiation levels in the belt is radial transport of electrons across their drift shell. The inward radial diffusion followed by "adiabatic" acceleration was the first mechanism put forward to explain creation of the outer belt. This paper reviews the results of recent analysis of basic properties of radial transport and discusses their implications to the global state of the belt. We will focus on stochastic transport which traditionally is referred to as radial diffusion. Stochastic radial transport is driven by interactions of the gradient curvature motion of the electron guiding center with ULF waves. Long-term electron motion can become stochastic due to non-linearity of electron interaction with the waves as well as to the random nature of their solar-wind driver. In spite of the underlying stochasticity the radial diffusion limit is not fully attainable in the outer radiation belt. This is attributed to the fact that phase correlations in electron motion do not have time to decay due to finite size of the system. As a result collective motion of the outer belt electrons can exhibit large deviations from radial diffusion. We will also discuss how the electron belt is affected by drift orbit bifurcations (DOBs). In a day-side compressed geomagnetic field electron orbits around Earth can exhibit bifurcations which violate their second adiabatic invariant and produce complex non-diffusive radial transport. Consequently, the third invariant is undefined for the bifurcating orbits, which means that electron motion can no not be analyzed in terms of adiabatic invariants. Even during quiet solar wind conditions DOBs affect a broad region of the belt

  3. Electronic transport in graphene nanoribbons with sublattice-asymmetric doping

    DEFF Research Database (Denmark)

    Aktor, Thomas; Jauho, Antti-Pekka; Power, Stephen

    2016-01-01

    Recent experimental findings and theoretical predictions suggest that nitrogen-doped CVD-grown graphene may give rise to electronic band gaps due to impurity distributions which favor segregation on a single sublattice. Here, we demonstrate theoretically that such distributions lead to more complex...... behavior in the presence of edges, where geometry determines whether electrons in the sample view the impurities as a gap-opening average potential or as scatterers. Zigzag edges give rise to the latter case, and remove the electronic band gaps predicted in extended graphene samples.We predict...... that such behavior will give rise to leakage near grain boundaries with a similar geometry or in zigzag-edged etched devices. Furthermore, we examine the formation of one-dimensional metallic channels at interfaces between different sublattice domains, which should be observable experimentally and offer intriguing...

  4. Super-micron-scale atomistic simulation for electronic transport with atomic vibration: Unified approach from quantum to classical transport

    Science.gov (United States)

    Ishizeki, Keisuke; Sasaoka, Kenji; Konabe, Satoru; Souma, Satofumi; Yamamoto, Takahiro

    2017-07-01

    We develop a powerful simulation method that can treat electronic transport in a super-micron-scale open system with atomic vibration at finite temperature. As an application of the developed method to realistic materials, we simulate electronic transport in metallic single-walled carbon nanotubes from nanometer scale to micrometer scale at room temperature. Based on the simulation results, we successfully identify two different crossovers, namely, ballistic to diffusive crossover and coherent to incoherent crossover, simultaneously and with equal footing, from which the mean free path and the phase coherence length can be extracted clearly. Moreover, we clarify the scaling behavior of the electrical resistance and the electronic current in the crossover regime.

  5. New electron multiple scattering distributions for Monte Carlo transport simulation

    Energy Technology Data Exchange (ETDEWEB)

    Chibani, Omar (Haut Commissariat a la Recherche (C.R.S.), 2 Boulevard Franz Fanon, Alger B.P. 1017, Alger-Gare (Algeria)); Patau, Jean Paul (Laboratoire de Biophysique et Biomathematiques, Faculte des Sciences Pharmaceutiques, Universite Paul Sabatier, 35 Chemin des Maraichers, 31062 Toulouse cedex (France))

    1994-10-01

    New forms of electron (positron) multiple scattering distributions are proposed. The first is intended for use in the conditions of validity of the Moliere theory. The second distribution takes place when the electron path is so short that only few elastic collisions occur. These distributions are adjustable formulas. The introduction of some parameters allows impositions of the correct value of the first moment. Only positive and analytic functions were used in constructing the present expressions. This makes sampling procedures easier. Systematic tests are presented and some Monte Carlo simulations, as benchmarks, are carried out. ((orig.))

  6. Power electronics applied to industrial systems and transports

    CERN Document Server

    Patin, Nicolas

    2015-01-01

    Power electronics is based on the switching operating mode of semiconductor components. On this basis, the concepts of type (voltage or current) and reversibility of interconnected sources make it possible to apply a methodology for the synthesis of various types of converters. This book also focuses on the importance of packaging by reviewing the electrical representation of components’ thermal models and the currently available electronics’ cooling technologies. Modeling is discussed, as well as different technological aspects used in the engineering design of an electronic power converter, useful for obtaining satisfactory performance and reliability.

  7. The role of transition metal interfaces on the electronic transport in lithium–air batteries

    DEFF Research Database (Denmark)

    Chen, Jingzhe; Hummelshøj, Jens S.; Thygesen, Kristian Sommer

    2011-01-01

    Low electronic conduction is expected to be a main limiting factor in the performance of reversible lithium–air, Li–O2, batteries. Here, we apply density functional theory and non-equilibrium Green's function calculations to determine the electronic transport through lithium peroxide, Li2O2, form...

  8. 76 FR 17470 - Notice of Transportation Services' Transition From Paper to Electronic Fare Media

    Science.gov (United States)

    2011-03-29

    ... Electronic Fare Media AGENCY: Office of the Secretary, DOT. ACTION: Notice. SUMMARY: The Office of... Transportation within the Office of the Assistant Secretary for Administration is adopting a new program distribution methodology. TRANServe is planning to shift to electronic fare media in particular areas...

  9. Cytochrome C And The Role Of Zinc Ions In Electron Transport In ...

    African Journals Online (AJOL)

    The inhibition of electron transfer by zinc ions in the electron transport system of the rat liver mitochondria was investigated. There was an increase in the rate at which oxygen was consumed in rat liver mitochondria pre-incubated with cytochrome c. However, the rate of inhibition of oxygen consumption by zinc ions was ...

  10. Spin and charge transport in a gated two dimensional electron gas

    NARCIS (Netherlands)

    Lerescu, Alexandru Ionut

    2007-01-01

    The work presented in this thesis is centered around the idea of how one can inject, transport and detect the electron's spin in a two dimensional electron gas (a semiconductor heterostructure). Metal based spintronic devices have been established to be the easy way to implement spintronic concepts

  11. The multiplicity of dehydrogenases in the electron transport chain of plant mitochondria

    DEFF Research Database (Denmark)

    Rasmusson, Allan G; Geisler, Daniela A; Møller, Ian Max

    2008-01-01

    The electron transport chain in mitochondria of different organisms contains a mixture of common and specialised components. The specialised enzymes form branches to the universal electron path, especially at the level of ubiquinone, and allow the chain to adjust to different cellular and metabol...

  12. Identification of pristine and defective graphene nanoribbons by phonon signatures in the electron transport characteristics

    DEFF Research Database (Denmark)

    Christensen, Rasmus Bjerregaard; Frederiksen, Thomas; Brandbyge, Mads

    2015-01-01

    Inspired by recent experiments where electron transport was measured across graphene nanoribbons (GNRs) suspended between a metal surface and the tip of a scanning tunneling microscope [Koch, Nat. Nanotechnol.7, 713 (2012)], we present detailed first-principles simulations of inelastic electron t...

  13. Coupled electron-phonon transport from molecular dynamics with quantum baths

    DEFF Research Database (Denmark)

    Lu, Jing Tao; Wang, J. S.

    2009-01-01

    -classical approximation. Both charge and energy transport and their interplay can be studied. We compare the MD results with those of a fully quantum mechanical nonequilibrium Green's function (NEGF) approach for the electron currents. We find a ballistic to diffusive transition of the electron conduction in one...

  14. Electron transport and spin phenomena in hybrid organic/inorganic systems

    NARCIS (Netherlands)

    Naber, W.J.M.

    2010-01-01

    This thesis describes several experiments in hybrid organic/inorganic systems, in which electron transport and/or spin behavior is studied. The basic concepts of organic electronics and spintronics are given, to understand the described spin-valve experiments. The problems and obstacles for

  15. Exploring coherent transport through π-stacked systems for molecular electronic devices

    DEFF Research Database (Denmark)

    Li, Qian; Solomon, Gemma

    2014-01-01

    Understanding electron transport across π-stacked systems can help to elucidate the role of intermolecular tunneling in molecular junctions and potentially with the design of high-efficiency molecular devices. Here we show how conjugation length and substituent groups influence the electron...

  16. Inelastic vibrational signals in electron transport across graphene nanoconstrictions

    DEFF Research Database (Denmark)

    Gunst, Tue; Markussen, Troels; Stokbro, Kurt

    2016-01-01

    We present calculations of the inelastic vibrational signals in the electrical current through a graphene nanoconstriction. We find that the inelastic signals are only present when the Fermi-level position is tuned to electron transmission resonances, thus, providing a fingerprint which can link ...

  17. Coexistence of electron and hole transport in graphene

    NARCIS (Netherlands)

    Wiedmann, S.; van Elferen, H. J.; Kurganova, E. V.; Katsnelson, M. I.; Giesbers, A. J. M.; Veligura, A.; van Wees, B. J.; Gorbachev, R. V.; Novoselov, K. S.; Maan, J. C.; Zeitler, U.

    2011-01-01

    When sweeping the carrier concentration in monolayer graphene through the charge neutrality point, the experimentally measured Hall resistivity shows a smooth zero crossing. Using a two-component model of coexisting electrons and holes around the charge neutrality point, we unambiguously show that

  18. Electron transport in a ferromagnet-superconductor junction on graphene

    OpenAIRE

    Asano, Yasuhiro; Yoshida, Toshihiro; Tanaka, Yukio; Golubov, Alexandre Avraamovitch

    2008-01-01

    In a usual ferromagnet connected with a superconductor, the exchange potential suppresses the superconducting pairing correlation. We show that this common knowledge does not hold in a ferromagnetsuperconductor junction on a graphene. When the chemical potential of a graphene is close to the conical point of energy dispersion, the exchange potential rather assists the charge transport through a junction interface. The loose-bottomed electric structure causes this unusual effect

  19. Point-contact transport properties of strongly correlated electrons on liquid helium.

    Science.gov (United States)

    Rees, D G; Kuroda, I; Marrache-Kikuchi, C A; Höfer, M; Leiderer, P; Kono, K

    2011-01-14

    We present transport measurements of a nondegenerate two-dimensional electron system on the surface of liquid helium at a point constriction. The constriction is formed in a microchannel by a split gate beneath the helium surface. The electrostatic energy of the electron system, which depends in part on the electron density, determines the split-gate voltage threshold of current flow through the constriction. Steplike increases in conductance are observed as the confinement strength is reduced. As the Coulomb interaction between electrons is strong, we attribute this effect to the increase in the number of electrons that can pass simultaneously through the constriction. Close to the threshold, single-electron transport is observed.

  20. Real-space calculations for electron transport properties of nanostructures.

    Science.gov (United States)

    Ono, Tomoya; Tsukamoto, Shigeru; Egami, Yoshiyuki; Fujimoto, Yoshitaka

    2011-10-05

    Recent developments in the fabrication and investigation of conductors of atomic dimensions have stimulated a large number of experimental and theoretical studies on these nanoscale devices. In this paper, we introduce examples presenting the efficiencies and advantages of a first-principles transport calculation scheme based on the real-space finite-difference (RSFD) formalism and the overbridging boundary-matching (OBM) method. The RSFD method does not suffer from the artificial periodicity problems that arise in methods using plane-wave basis sets or the linear dependence problems that occur in methods using atomic basis sets. Moreover, the algorithm of the RSFD method is suitable for massively parallel computers and, thus, the combination of the RSFD and OBM methods enables us to execute first-principles transport calculations using large models. To demonstrate the advantages of this method, several applications of the transport calculations in various systems ranging from jellium nanowires to the tip and surface system of scanning tunneling microscopy are presented. © 2011 IOP Publishing Ltd

  1. Ozone-surface interactions: Investigations of mechanisms, kinetics, mass transport, and implications for indoor air quality

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, Glenn Charles [Univ. of California, Berkeley, CA (United States)

    1999-12-01

    In this dissertation, results are presented of laboratory investigations and mathematical modeling efforts designed to better understand the interactions of ozone with surfaces. In the laboratory, carpet and duct materials were exposed to ozone and measured ozone uptake kinetics and the ozone induced emissions of volatile organic compounds. To understand the results of the experiments, mathematical methods were developed to describe dynamic indoor aldehyde concentrations, mass transport of reactive species to smooth surfaces, the equivalent reaction probability of whole carpet due to the surface reactivity of fibers and carpet backing, and ozone aging of surfaces. Carpets, separated carpet fibers, and separated carpet backing all tended to release aldehydes when exposed to ozone. Secondary emissions were mostly n-nonanal and several other smaller aldehydes. The pattern of emissions suggested that vegetable oils may be precursors for these oxidized emissions. Several possible precursors and experiments in which linseed and tung oils were tested for their secondary emission potential were discussed. Dynamic emission rates of 2-nonenal from a residential carpet may indicate that intermediate species in the oxidation of conjugated olefins can significantly delay aldehyde emissions and act as reservoir for these compounds. The ozone induced emission rate of 2-nonenal, a very odorous compound, can result in odorous indoor concentrations for several years. Surface ozone reactivity is a key parameter in determining the flux of ozone to a surface, is parameterized by the reaction probability, which is simply the probability that an ozone molecule will be irreversibly consumed when it strikes a surface. In laboratory studies of two residential and two commercial carpets, the ozone reaction probability for carpet fibers, carpet backing and the equivalent reaction probability for whole carpet were determined. Typically reaction probability values for these materials were 10

  2. The effect of electron transport on the characterization of x-ray free-electron laser pulses via ablation

    Science.gov (United States)

    Hau-Riege, Stefan P.; Pardini, Tom

    2017-10-01

    The spatial intensity distribution of x-ray free-electron laser (XFEL) pulses in-focus is commonly characterized by performing ablative imprints in thin gold films on silica substrates. In many cases, the range of the electrons generated in the gold by x-ray absorption far exceeds the beam size, and so, it is not clear if the results of imprint studies are compromised by electron transport. Thermal conduction could further modify the energy density profile in the material. We used a combination of Monte-Carlo transport and continuum models to quantify the accuracy of the imprint method for characterizing XFEL beam profiles. We found that for x-ray energies in the range of 1 to 10 keV, the actual and the measured beam diameters agree within 12% or better for beam diameters between 0.1 and 1 μm.

  3. Towards Understanding the Solvent-Dynamic Control of the Transport and Heterogeneous Electron-Transfer Processes in Ionic Liquids.

    Science.gov (United States)

    Bhat, Mohsin Ahmad; Ingole, Pravin P; Randriamahazaka, Hyacinthe

    2017-02-17

    The impact of temperature-induced changes in solvent dynamics on the diffusion coefficient and standard rate constant k(0) for heterogeneous electron transfer (ET) of ethylferrocene (EFc) in 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6 ]) is investigated. The results are analysed to understand the impact of solvent-dynamic control, solute-solvent interactions and solvent friction on the transport of redox probes and k(0) . Concentration dependence of the diffusion coefficient of EFc in [BMIM][PF6 ] is observed. This is attributed to the solute-induced enhancement of the structural organisation of the ionic liquid (IL), which is supported by the concentration-dependent UV/Vis absorption and photoluminescence responses of EFc/[BMIM][PF6 ] solutions. Similar values of the activation energies for mass transport and ET and a linear relationship between the diffusion coefficient and the heterogeneous ET rate is observed. The ratio between the diffusion coefficient and the heterogeneous rate constant allows a characteristic length Ld , which is temperature-independent, to be introduced. The presented results clearly establish that mass transport and heterogeneous ET of redox probes are strongly correlated in ILs. It is proposed that the apparent kinetics of heterogeneous ET reactions in ILs can be explained in terms of their impact on thermal equilibration, energy dissipation and thermal excitation of redox-active probes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Transport of fast electrons in lower hybrid current drive plasmas in the HT-7 tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Z Y [Institute of Plasma Physics, College of Electrical and Electronic Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Fang, D; Dai, F; Duan, Z Q; Zhu, J X; Sun, W M [Department of Physics, Yunnan Normal University, Kunming 650092 (China); Wan, B N; Shi, Y J, E-mail: chenzy1003@163.com [Institute of Plasma Physics, Chinese Academy of Sciences, Hefe 230031 (China)

    2011-04-15

    The transport of fast electrons in lower hybrid current drive (LHCD) plasmas in the HT-7 tokamak was investigated in this work. The evolution of fast electron bremsstrahlung emission profiles after switching off the lower hybrid power was analyzed. We found that the dynamics of the fast electrons is governed by the slowing-down process, and the current density profile can be controlled by LHCD in the HT-7 tokamak.

  5. Computation and analysis of the electron transport properties for nitrogen and air inductively-coupled plasmas

    Science.gov (United States)

    Yu, Minghao; Kihara, Hisashi; Abe, Ken-ichi; Takahashi, Yusuke

    2015-06-01

    A relatively simple method for calculating accurately the third-order electron transport properties of nitrogen and air thermal plasmas is presented. The electron transport properties, such as the electrical conductivity and the electron thermal conductivity, were computed with the best and latest available collision cross-section data in the temperature and pressure ranges of T = 300 - 15000 K and p = 0.01 - 1.0 atm, respectively. The results obtained under the atmospheric pressure condition showed good agreements with the experimental and the high-accuracy theoretical results. The presently-introduced method has good application potential in numerical simulations of nitrogen and air inductively-coupled plasmas.

  6. Tuning the electronic transport properties of graphene through functionalisation with fluorine

    Directory of Open Access Journals (Sweden)

    Dubois Marc

    2011-01-01

    Full Text Available Abstract We demonstrate the possibility to tune the electronic transport properties of graphene mono-layers and multi-layers by functionalisation with fluorine. For mono-layer samples, with increasing the fluorine content, we observe a transition from electronic transport through Mott variable range hopping (VRH in two dimensions to Efros-Shklovskii VRH. Multi-layer fluorinated graphene with high concentration of fluorine show two-dimensional Mott VRH transport, whereas CF0.28 multi-layer flakes exhibit thermally activated transport through near neighbour hopping. Our experimental findings demonstrate that the ability to control the degree of functionalisation of graphene is instrumental to engineer different electronic properties in graphene materials.

  7. Electrochemical evaluation of electron transfer kinetics of high and low redox potential laccases on gold electrode surface

    Energy Technology Data Exchange (ETDEWEB)

    Frasconi, Marco [Department of Chemistry and Drug Technologies, Sapienza University of Rome, P.le Aldo Moro, 5 00185 Rome (Italy); Boer, Harry; Koivula, Anu [VTT Technical Research Centre of Finland, P.O. Box 1000, FI-02044 VTT (Finland); Mazzei, Franco, E-mail: franco.mazzei@uniroma1.i [Department of Chemistry and Drug Technologies, Sapienza University of Rome, P.le Aldo Moro, 5 00185 Rome (Italy)

    2010-12-30

    Laccases and other multicopper oxidases are reported to be able to carry out direct electron transfer reactions when immobilized onto electrode surface. This allows detailed research of their electron transfer mechanisms. We have recently characterized the kinetic properties of four laccases in homogenous solution and immobilized onto an electrode surface with respect to a set of different redox mediators. In this paper we report the direct electron transfer of four purified laccases from Trametes hirsuta (ThL), Trametes versicolor (TvL), Melanocarpus albomyces (r-MaL) and Rhus vernicifera (RvL), by trapping the proteins within an electrochemically inert polymer of tributylmethyl phosphonium chloride coating a gold electrode surface. In particular, we have characterized the steps involved in the laccases electron transfer mechanism as well as the factors limiting each step. During the voltammetric experiments, non-turnover Faradic signals with midpoint potential of about 790 and 400 mV were observed for high potential laccases, ThL and TvL, corresponding to redox transformations of the T1 site and the T2/T3 cluster of the enzyme, respectively, whereas low redox potential laccases r-MaL and RvL shown a redox couple with a midpoint potential around 400 mV. The electrocatalytic properties of these laccase modified electrodes for the reduction of oxygen have been evaluated demonstrating significative direct electron transfer kinetics. The biocatalytic activity of laccases was also monitored in the presence of a well known inhibitor, sodium azide. On the basis of the experimental results, a hypothesis about the electronic pathway for intramolecular electron transfer characterizing laccases has been proposed.

  8. Kinetic modeling of metal ion transport for desorption of Pb(II) ion ...

    African Journals Online (AJOL)

    The kinetics of desorption of lead (II) ion from metal loaded adsorbent of mercaptoacetic acid modified and unmodified oil palm (Elaeis guineensis) fruit fiber was studied using different solutions, at different contact times. At the end of 25 minutes, 79.19%, 75.99%, 57.14%, 50.56% and 32.72% of Pb2+ were desorbed using ...

  9. Electron-electron scattering in linear transport in two-dimensional systems

    DEFF Research Database (Denmark)

    Hu, Ben Yu-Kuang; Flensberg, Karsten

    1996-01-01

    We describe a method for numerically incorporating electron-electron scattering in quantum wells for small deviations of the distribution function from equilibrium, within the framework of the Boltzmann equation. For a given temperature T and density n, a symmetric matrix needs to be evaluated only...... once, and henceforth it can be used to describe electron-electron scattering in any Boltzmann equation linear-response calculation for that particular T and n. Using this method, we calculate the distribution function and mobility for electrons in a quantum well, including full finite...

  10. Study on the Electronic Transport Properties of Zigzag GaN Nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Li Enling; Wang Xiqiang; Hou Liping; Zhao Danna; Dai Yuanbin [Sciences School, Xi' an University of Technology, Xi' an, China 710054 (China); Wang Xuewen [Electronic Information Science and Technology, Northwest University, Xi' an, China 710068 (China)

    2011-02-01

    The electronic transport properties of zigzag GaN nanotubes (n, 0) (4 {<=} n {<=} 9) have been calculated using the density functional theory and non-equilibrium Green's functions method. Firstly, the density functional theory (DFT) is used to optimize and calculate the electronic structure of GaNNTs (n, 0) (4{<=}n{<=}9). Secondly, DFT and non-equilibrium Green function (NEGF) method are also used to predict the electronic transport properties of GaNNTs two-probe system. The results showed: there is a corresponding relation between the electronic transport properties and the valley of state density of each GaNNT. In addition, the volt-ampere curve of GaNNT is approximately linear.

  11. Enhanced radial transport and energization of radiation belt electrons due to drift orbit bifurcations.

    Science.gov (United States)

    Ukhorskiy, A Y; Sitnov, M I; Millan, R M; Kress, B T; Smith, D C

    2014-01-01

    [1]Relativistic electron intensities in Earth's outer radiation belt can vary by multiple orders of magnitude on the time scales ranging from minutes to days. One fundamental process contributing to dynamic variability of radiation belt intensities is the radial transport of relativistic electrons across their drift shells. In this paper we analyze the properties of three-dimensional radial transport in a global magnetic field model driven by variations in the solar wind dynamic pressure. We use a test particle approach which captures anomalous effects such as drift orbit bifurcations. We show that the bifurcations lead to an order of magnitude increase in radial transport rates and enhance the energization at large equatorial pitch angles. Even at quiet time fluctuations in dynamic pressure, radial transport at large pitch angles exhibits strong deviations from the diffusion approximation. The radial transport rates are much lower at small pitch angle values which results in a better agreement with the diffusion approximation.

  12. High-speed evaluation of track-structure Monte Carlo electron transport simulations

    Science.gov (United States)

    Pasciak, A. S.; Ford, J. R.

    2008-10-01

    There are many instances where Monte Carlo simulation using the track-structure method for electron transport is necessary for the accurate analytical computation and estimation of dose and other tally data. Because of the large electron interaction cross-sections and highly anisotropic scattering behavior, the track-structure method requires an enormous amount of computation time. For microdosimetry, radiation biology and other applications involving small site and tally sizes, low electron energies or high-Z/low-Z material interfaces where the track-structure method is preferred, a computational device called a field-programmable gate array (FPGA) is capable of executing track-structure Monte Carlo electron-transport simulations as fast as or faster than a standard computer can complete an identical simulation using the condensed history (CH) technique. In this paper, data from FPGA-based track-structure electron-transport computations are presented for five test cases, from simple slab-style geometries to radiation biology applications involving electrons incident on endosteal bone surface cells. For the most complex test case presented, an FPGA is capable of evaluating track-structure electron-transport problems more than 500 times faster than a standard computer can perform the same track-structure simulation and with comparable accuracy.

  13. High-speed evaluation of track-structure Monte Carlo electron transport simulations.

    Science.gov (United States)

    Pasciak, A S; Ford, J R

    2008-10-07

    There are many instances where Monte Carlo simulation using the track-structure method for electron transport is necessary for the accurate analytical computation and estimation of dose and other tally data. Because of the large electron interaction cross-sections and highly anisotropic scattering behavior, the track-structure method requires an enormous amount of computation time. For microdosimetry, radiation biology and other applications involving small site and tally sizes, low electron energies or high-Z/low-Z material interfaces where the track-structure method is preferred, a computational device called a field-programmable gate array (FPGA) is capable of executing track-structure Monte Carlo electron-transport simulations as fast as or faster than a standard computer can complete an identical simulation using the condensed history (CH) technique. In this paper, data from FPGA-based track-structure electron-transport computations are presented for five test cases, from simple slab-style geometries to radiation biology applications involving electrons incident on endosteal bone surface cells. For the most complex test case presented, an FPGA is capable of evaluating track-structure electron-transport problems more than 500 times faster than a standard computer can perform the same track-structure simulation and with comparable accuracy.

  14. Transport properties of local thermodynamic equilibrium hydrogen plasmas including electronically excited states.

    Science.gov (United States)

    Capitelli, M; Celiberto, R; Gorse, C; Laricchiuta, A; Pagano, D; Traversa, P

    2004-02-01

    A study of the dependence of transport coefficients (thermal conductivity, viscosity, electrical conductivity) of local thermodynamic equilibrium H2 plasmas on the presence of electronically atomic excited states, H(n), is reported. The results show that excited states with their "abnormal" cross sections strongly affect the transport coefficients especially at high pressure. Large relative errors are found when comparing the different quantities with the corresponding values obtained by using ground-state transport cross sections. The accuracy of the present calculation is finally discussed in the light of the selection of transport cross sections and in dependence of the considered number of excited states.

  15. Quantum transport and the Wigner distribution function for Bloch electrons in spatially homogeneous electric and magnetic fields

    Science.gov (United States)

    Iafrate, G. J.; Sokolov, V. N.; Krieger, J. B.

    2017-10-01

    The theory of Bloch electron dynamics for carriers in homogeneous electric and magnetic fields of arbitrary time dependence is developed in the framework of the Liouville equation. The Wigner distribution function (WDF) is determined from the single-particle density matrix in the ballistic regime, i.e., collision effects are excluded. In the theory, the single-particle transport equation is established with the electric field described in the vector potential gauge, and the magnetic field is treated in the symmetric gauge. No specific assumptions are made concerning the form of the initial distribution in momentum or configuration space. The general approach is to employ the accelerated Bloch state representation (ABR) as a basis so that the dependence upon the electric field, including multiband Zener tunneling, is treated exactly. Further, in the formulation of the WDF, we transform to a new set of variables so that the final WDF is gauge invariant and is expressed explicitly in terms of the position, kinetic momentum, and time. The methodology for developing the WDF is illustrated by deriving the exact WDF equation for free electrons in homogeneous electric and magnetic fields resulting in the same form as given by the collisionless Boltzmann transport equation (BTE). The methodology is then extended to the case of electrons described by an effective Hamiltonian corresponding to an arbitrary energy band function; the exact WDF equation results for the effective Hamiltonian case are shown to approximate the free electron results when taken to second order in the magnetic field. As a corollary, in these cases, it is shown that if the WDF is a wave packet, then the time rate of change of the electron quasimomentum is given by the Lorentz force. In treating the problem of Bloch electrons in a periodic potential in the presence of homogeneous electric and magnetic fields, the methodology for deriving the WDF reveals a multiband character due to the inherent nature of

  16. Transport of chlorpromazine in the Caco-2 cell permeability assay: a kinetic study

    NARCIS (Netherlands)

    Broeders, J.J.W.; Eijkeren, J.C.H.; Blaauboer, B.J.; Hermens, J.L.M.

    2012-01-01

    The intestinal transport of compounds can be measured in vitro with Caco-2 cell monolayers. We took a closer look at the exposure and fate of a chemical in the Caco-2 cell assay, including the effect of protein binding. Transport of chlorpromazine (CPZ) was measured in the absorptive and secretory

  17. Assessment of the effect of kinetics on colloid facilitated radionuclide transport in porous media.

    NARCIS (Netherlands)

    Weerd, van de H.; Leijnse, A.

    1997-01-01

    Binding of radionuclides to natural colloids can significantly alter their transport behaviour in porous media. Dependent on the interaction between radionuclides, colloids and the solid matrix, radionuclide transport may be enhanced or retarded as a result of the presence of colloids. Often,

  18. Influence of the electron injection energy on ballistic transport in nanoscale GaAs/AlGaAs cross junctions

    Energy Technology Data Exchange (ETDEWEB)

    Wiemann, Matthias; Cetinkaya, Ayhan; Wieser, Ulrich; Kunze, Ulrich [Werkstoffe und Nanoelektronik - Ruhr-Universitaet Bochum, D-44780 Bochum (Germany); Reuter, Dirk; Wieck, Andreas [Angewandte Festkoerperphysik - Ruhr-Universitaet Bochum, D-44780 Bochum (Germany)

    2007-07-01

    Ballistic electron transport is studied in a modified nanoscale cross junction prepared from a high-mobility GaAs/AlGaAs heterostructure. The device is defined by combining electron-beam lithography with standard photo lithography and is transferred by wet-chemical etching. The lateral geometry is given by a central orthogonal cross junction and two additional branches which orthogonally merge in the vertical bar on each side of the central junction. A potential barrier is formed by a nanoscale Schottky top-gate finger, which crosses the vertical bar near the central cross junction. The barrier enables to vary the kinetic energy of injected electrons. If an input bias is applied between the vertical bar embedding the barrier and an orthogonal lead of the central cross junction, negative bend resistance is found in the nonlocal I-V transfer characteristics. In this configuration V describes the potential difference between the voltage probes opposite to the current leads. If the transfer voltage is detected between the barrier free part of the vertical bar and its neighboring branch, gate-voltage dependent nonlinearities are observed.

  19. Calculation of Ground State Rotational Populations for Kinetic Gas Homonuclear Diatomic Molecules including Electron-Impact Excitation and Wall Collisions

    Energy Technology Data Exchange (ETDEWEB)

    David R. Farley

    2010-08-19

    A model has been developed to calculate the ground-state rotational populations of homonuclear diatomic molecules in kinetic gases, including the effects of electron-impact excitation, wall collisions, and gas feed rate. The equations are exact within the accuracy of the cross sections used and of the assumed equilibrating effect of wall collisions. It is found that the inflow of feed gas and equilibrating wall collisions can significantly affect the rotational distribution in competition with non-equilibrating electron-impact effects. The resulting steady-state rotational distributions are generally Boltzmann for N≥3, with a rotational temperature between the wall and feed gas temperatures. The N=0,1,2 rotational level populations depend sensitively on the relative rates of electron-impact excitation versus wall collision and gas feed rates.

  20. Microfluidic technology platforms for synthesizing, labeling and measuring the kinetics of transport and biochemical reactions for developing molecular imaging probes

    Energy Technology Data Exchange (ETDEWEB)

    Phelps, Michael E. [Univ. of California, Los Angeles, CA (United States)

    2009-09-01

    Radiotracer techniques are used in environmental sciences, geology, biology and medicine. Radiotracers with Positron Emission Tomography (PET) provided biological examinations of ~3 million patients 2008. Despite the success of positron labeled tracers in many sciences, there is limited access in an affordable and convenient manner to develop and use new tracers. Integrated microfluidic chips are a new technology well matched to the concentrations of tracers. Our goal is to develop microfluidic chips and new synthesis approaches to enable wide dissemination of diverse types of tracers at low cost, and to produce new generations of radiochemists for which there are many unfilled jobs. The program objectives are to: 1. Develop an integrated microfluidic platform technology for synthesizing and 18F-labeling diverse arrays of different classes of molecules. 2. Incorporate microfluidic chips into small PC controlled devices (“Synthesizer”) with a platform interfaced to PC for electronic and fluid input/out control. 3. Establish a de-centralized model with Synthesizers for discovering and producing molecular imaging probes, only requiring delivery of inexpensive [18F]fluoride ion from commercial PET radiopharmacies vs the centralized approach of cyclotron facilities synthesizing and shipping a few different types of 18F-probes. 4. Develop a position sensitive avalanche photo diode (PSAPD) camera for beta particles embedded in a microfluidic chip for imaging and measuring transport and biochemical reaction rates to valid new 18F-labeled probes in an array of cell cultures. These objectives are met within a research and educational program integrating radio-chemistry, synthetic chemistry, biochemistry, engineering and biology in the Crump Institute for Molecular Imaging. The Radiochemistry Training Program exposes PhD and post doctoral students to molecular imaging in vitro in cells and microorganisms in microfluidic chips and in vivo with PET, from new technologies

  1. Transportation and kinetic analysis of Mo(VI) ions through a MDLM system containing TNOA as carrier.

    Science.gov (United States)

    Donat, R; Durmaz, Ö; Cetişli, H

    2015-08-30

    In this report, Mo(VI) ions are transported from an aqueous donor phase into an aqueous acceptor phase by a newly designed method called as multi dropped liquid membrane (MDLM) system prepared by dissolving TNOA as carrier in kerosene. During the extraction of Mo(VI) ions by the liquid membrane system; 100ppm Mo(VI) solutions as donor phase, buffer solution(pH:9.5) and Na2CO3 in different concentrations as acceptor phase and TNOA diluted by kerosen as organic phase are used.In our experimental work, the effect of temperature by using buffer solution and Na2CO3 in the acceptor phase and effect of concentration of acceptor phase on the extraction of Mo(VI) ions were investigated. Appropriate conditions for Mo(VI) transportation were as follows: pH of donor phase is 2.00, concentration of TNOA is 0.005M, 1.00M Na2CO3 as acceptor phase, and flux rate is 50mL/min. Besides, Mo(VI) ion transportation is consecutive first order irreversible reaction and the transportation of Mo(VI) ions is diffusion controlled process. The kinetic parameters (k1, k2, Rm(max), tmax, Jd(max), Ja(max)) were calculated for the interface reactions assuming two consecutive, irreversible first-order reactions. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Electronic transport in disordered graphene antidot lattice devices

    DEFF Research Database (Denmark)

    Power, Stephen; Jauho, Antti-Pekka

    2014-01-01

    Nanostructuring of graphene is in part motivated by the requirement to open a gap in the electronic band structure. In particular, a periodically perforated graphene sheet in the form of an antidot lattice may have such a gap. Such systems have been investigated with a view towards application...... range of finite graphene antidot devices to determine the effect of such disorders on their performance. Modest geometric disorder is seen to have a detrimental effect on devices containing small, tightly packed antidots, which have optimal performance in pristine lattices. Larger antidots display...

  3. Ballistic Electron Quantum Transport in Presence of a Disordered Background

    OpenAIRE

    Sokolov, Valentin V.

    2009-01-01

    Effect of a complicated many-body environment is analyzed on the electron random scattering by a 2D mesoscopic open ballistic structure. A new mechanism of decoherence is proposed. The temperature of the environment is supposed to be zero whereas the energy of the incoming particle $E_{in}$ can be close to or somewhat above the Fermi surface in the environment. The single-particle doorway resonance states excited in the structure via external channels are damped not only because of escape thr...

  4. Computational aspects of electronic transport in nanoscale devices

    OpenAIRE

    Sørensen, Hans Henrik Brandenborg; Hansen, Per Christian; Stokbro, Kurt

    2008-01-01

    This thesis is concerned with the modeling of electronic properties of nano-scale devices. In particular the computational aspects of calculating the transmission and current-voltage characteristics of Landauer-Büttiker two-probe systems are in focus. To begin with, the main existing methods are described in detail and benchmarked. These are the Green’s function method and the wave function matching method. The methods are subsequently combined in a hybrid scheme in order to benefit from a co...

  5. Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctions

    Science.gov (United States)

    Hoy, Erik P.; Mazziotti, David A.; Seideman, Tamar

    2017-11-01

    Can an electronic device be constructed using only a single molecule? Since this question was first asked by Aviram and Ratner in the 1970s [Chem. Phys. Lett. 29, 277 (1974)], the field of molecular electronics has exploded with significant experimental advancements in the understanding of the charge transport properties of single molecule devices. Efforts to explain the results of these experiments and identify promising new candidate molecules for molecular devices have led to the development of numerous new theoretical methods including the current standard theoretical approach for studying single molecule charge transport, i.e., the non-equilibrium Green's function formalism (NEGF). By pairing this formalism with density functional theory (DFT), a wide variety of transport problems in molecular junctions have been successfully treated. For some systems though, the conductance and current-voltage curves predicted by common DFT functionals can be several orders of magnitude above experimental results. In addition, since density functional theory relies on approximations to the exact exchange-correlation functional, the predicted transport properties can show significant variation depending on the functional chosen. As a first step to addressing this issue, the authors have replaced density functional theory in the NEGF formalism with a 2-electron reduced density matrix (2-RDM) method, creating a new approach known as the NEGF-RDM method. 2-RDM methods provide a more accurate description of electron correlation compared to density functional theory, and they have lower computational scaling compared to wavefunction based methods of similar accuracy. Additionally, 2-RDM methods are capable of capturing static electron correlation which is untreatable by existing NEGF-DFT methods. When studying dithiol alkane chains and dithiol benzene in model junctions, the authors found that the NEGF-RDM predicts conductances and currents that are 1-2 orders of magnitude below

  6. Methods of Monte Carlo electron transport in particle-in-cell codes

    Energy Technology Data Exchange (ETDEWEB)

    Kwan, T.J.T.; Snell, C.M.

    1985-01-01

    An algorithm has been implemented in CCUBE and ISIS to treat electron transport in materials using a Monte Carlo method in addition to the electron dynamics determined by the self-consistent electromagnetic, relativistic, particle-in-cell simulation codes that have been used extensively to model generation of electron beams and intense microwave production. Incorporation of a Monte Carlo method to model the transport of electrons in materials (conductors and dielectrics) in a particle-in-cell code represents a giant step toward realistic simulation of the physics of charged-particle beams. The basic Monte Carlo method used in the implementation includes both scattering of electrons by background atoms and energy degradation.

  7. High-performance electronic transport in the plane of 3D type-II Dirac semimetals

    Science.gov (United States)

    Ge, Yanfeng; Wan, Wenhui; Liu, Yong; Zhang, Ying

    2017-10-01

    Recently, the type-II Dirac fermion, a new topological state, has been proposed in the Al3V family. It breaks Lorentz symmetry and has unique physical properties. We use first-principles calculations to investigate electronic transport limited by phonon scattering. The electronic resistivity in the xy plane is estimated to be 24.1 μ Ω \\cdot cm for Al3V and is much lower than that along the z direction. The heavy electronic effective mass along the z direction and the main electron-phonon coupling, originating from the phonon modes vibrating along the z direction, lead to anisotropic electronic transport, which is also found in other members of the Al3V family.

  8. Specific Interaction between Redox Phospholipid Polymers and Plastoquinone in Photosynthetic Electron Transport Chain.

    Science.gov (United States)

    Tanaka, Kenya; Kaneko, Masahiro; Ishikawa, Masahito; Kato, Souichiro; Ito, Hidehiro; Kamachi, Toshiaki; Kamiya, Kazuhide; Nakanishi, Shuji

    2017-04-19

    Redox phospholipid polymers added in culture media are known to be capable of extracting electrons from living photosynthetic cells across bacterial cell membranes with high cytocompatibility. In the present study, we identify the intracellular redox species that transfers electrons to the polymers. The open-circuit electrochemical potential of an electrolyte containing the redox polymer and extracted thylakoid membranes shift to positive (or negative) under light irradiation, when an electron transport inhibitor specific to plastoquinone is added upstream (or downstream) in the photosynthetic electron transport chain. The same trend is also observed for a medium containing living photosynthetic cells of Synechococcus elongatus PCC7942. These results clearly indicate that the phospholipid redox polymers extract photosynthetic electrons mainly from plastoquinone. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Theoretical study of electronic transport properties of a graphene-silicene bilayer

    Energy Technology Data Exchange (ETDEWEB)

    Berdiyorov, G. R. [Qatar Environment and Energy Research Institute, Qatar Foundation, P.O. Box 5825, Doha (Qatar); Bahlouli, H. [Department of Physics, King Fahd University of Petroleum and Minerals, 31261 Dhahran (Saudi Arabia); Saudi Center for Theoretical Physics, 31261 Dhahran (Saudi Arabia); Peeters, F. M. [Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen (Belgium)

    2015-06-14

    Electronic transport properties of a graphene-silicene bilayer system are studied using density-functional theory in combination with the nonequilibrium Green's function formalism. Depending on the energy of the electrons, the transmission can be larger in this system as compared to the sum of the transmissions of separated graphene and silicene monolayers. This effect is related to the increased electron density of states in the bilayer sample. At some energies, the electronic states become localized in one of the layers, resulting in the suppression of the electron transmission. The effect of an applied voltage on the transmission becomes more pronounced in the layered sample as compared to graphene due to the larger variation of the electrostatic potential profile. Our findings will be useful when creating hybrid nanoscale devices where enhanced transport properties will be desirable.

  10. Electronic transport properties of tungsten silicide thin films

    Science.gov (United States)

    Martin, T. L.; Malhotra, V.; Mahan, J. E.

    1984-03-01

    Tungsten suicide thin films have been prepared by neutralized ion beam sputtering of the metal onto a polycrystalline silicon layer followed by furnace annealing. The films appear to be essentially sing le-phase disilicide with the possibility of a percent or so carbon and oxygen content. The material behaves as a classical metallic conductor, with a temperature-independent residual resistivity of 16 μΩ-cm and a room temperature intrinsic resistivity of 7 μΩ-cm. Hall effect measurements indicate the material is predominantly a hole conductor, with a room temperature Hall mobility of 30cm2/V-s and an apparent free carrier concentration of 8.9×1021 cm-3. The effective one-carrier mobility derived from geometrical magnetoresistance data, on the other hand, is ≈95 cm2/V-s; this difference, taken together with the effect of temperature on the transport properties, suggests there is mixed conduction.

  11. Current-voltage and kinetic energy flux relations for relativistic field-aligned acceleration of auroral electrons

    Directory of Open Access Journals (Sweden)

    S. W. H. Cowley

    2006-03-01

    Full Text Available Recent spectroscopic observations of Jupiter's "main oval" auroras indicate that the primary auroral electron beam is routinely accelerated to energies of ~100 keV, and sometimes to several hundred keV, thus approaching the relativistic regime. This suggests the need to re-examine the classic non-relativistic theory of auroral electron acceleration by field-aligned electric fields first derived by Knight (1973, and to extend it to cover relativistic situations. In this paper we examine this problem for the case in which the source population is an isotropic Maxwellian, as also assumed by Knight, and derive exact analytic expressions for the field-aligned current density (number flux and kinetic energy flux of the accelerated population, for arbitrary initial electron temperature, acceleration potential, and field strength beneath the acceleration region. We examine the limiting behaviours of these expressions, their regimes of validity, and their implications for auroral acceleration in planetary magnetospheres (and like astrophysical systems. In particular, we show that for relativistic accelerating potentials, the current density increases as the square of the minimum potential, rather than linearly as in the non-relativistic regime, while the kinetic energy flux then increases as the cube of the potential, rather than as the square.

  12. 'All-Metal' Aromatic Sandwich Molecules: An Electronic Structure and Transport Study.

    Science.gov (United States)

    Das, Bidisa

    2015-01-01

    Electronic structure and transport is theoretically studied for neutral, all-metal aromatic sandwich molecules, Al4MAl4 (M = Cr, Mo) along with Al4 and Al4M (M = Cr, Mo) clusters in two-probe setups with silver and gold electrodes. Detailed electronic structure and transport studies of metallaromatic Al4MAl4 molecules show high electronic conductance [2.5*10(-4) S for Al4CrAl4 and 2.9*10(-4) S for Al4MoAl4] and three conduction channels simultaneously contribute to the total transmission probability. The study of transport properties of the bare Al4 cluster and Al4M cluster also show very high electronic conductance. The neutral Al4 cluster, when connected parallel to the electrodes, four Al atoms couple to the electrode atoms and at least eight electron conduction pathways contribute simultaneously to the conductance whereas for perpendicular connectivity only three conduction channels operate. All the molecules couple strongly to the electrodes by well-defined metal-metal bonds owing to their metallic nature indicating an easier electrode integration process, and the calculated current voltage curves are almost linear till applied voltages of 1 V for Al4MAl4 (M = Cr, Mo). The electronic transport of the clusters studied here resembles the values found for metal atomic chains in break junction studies.

  13. Molecular Engineering of Non-Halogenated Solution-Processable Bithiazole based Electron Transport Polymeric Semiconductors

    KAUST Repository

    Fu, Boyi

    2015-04-01

    The electron deficiency and trans planar conformation of bithiazole is potentially beneficial for the electron transport performance of organic semiconductors. However, the incorporation of bithiazole into polymers through a facile synthetic strategy remains a challenge. Herein, 2,2’-bithiazole was synthesized in one step and copolymerized with dithienyldiketopyrrolopyrrole to afford poly(dithienyldiketopyrrolopyrrole-bithiazole), PDBTz. PDBTz exhibited electron mobility reaching 0.3 cm2V-1s-1 in organic field-effect transistor (OFET) configuration; this contrasts with a recently discussed isoelectronic conjugated polymer comprising an electron rich bithiophene and dithienyldiketopyrrolopyrrole, which displays merely hole transport characteristics. This inversion of charge carrier transport characteristics confirms the significant potential for bithiazole in the development of electron transport semiconducting materials. Branched 5-decylheptacyl side chains were incorporated into PDBTz to enhance polymer solubility, particularly in non-halogenated, more environmentally compatible solvents. PDBTz cast from a range of non-halogenated solvents exhibited film morphologies and field-effect electron mobility similar to those cast from halogenated solvents.

  14. Two-dimensional electron transport in AlGaN/GaN heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Tan Renbing [Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou 215125 (China); Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083 (China); Graduate University of Chinese Academy of Sciences, Beijing 100049 (China); Xu Wen, E-mail: wenxu_issp@yahoo.cn [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Zhou Yu; Zhang Xiaoyu [Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou 215125 (China); Qin Hua, E-mail: hqin2007@sinano.ac.cn [Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou 215125 (China)

    2012-11-01

    We present a theoretical study of electron transport properties of two-dimensional electron gas in AlGaN/GaN heterostructures. By assuming a drifted Fermi-Dirac distribution and taking into account all major scattering mechanisms, including polar optical and acoustic phonons, background impurities, dislocation and interface roughness, the momentum- and energy-balance equations derived from Boltzmann equation are solved self-consistently. The dependence of the electron drift velocity and electron temperature as a function of the applied electric field are obtained and discussed.

  15. Manipulation of electron transport in graphene by nanopatterned electrostatic potential on an electret

    Science.gov (United States)

    Wang, Xiaowei; Wang, Rui; Wang, Shengnan; Zhang, Dongdong; Jiang, Xingbin; Cheng, Zhihai; Qiu, Xiaohui

    2018-01-01

    The electron transport characteristics of graphene can be finely tuned using local electrostatic fields. Here, we use a scanning probe technique to construct a statically charged electret gate that enables in-situ fabrication of graphene devices with precisely designed potential landscapes, including p-type and n-type unipolar graphene transistors and p-n junctions. Electron dynamic simulation suggests that electron beam collimation and focusing in graphene can be achieved via periodic charge lines and concentric charge circles. This approach to spatially manipulating carrier density distribution may offer an efficient way to investigate the novel electronic properties of graphene and other low-dimensional materials.

  16. Magnetic shear effect on confinement and electron heat transport in dominant electron heating experiments in Tore Supra

    Energy Technology Data Exchange (ETDEWEB)

    Hoang, G.T.; Saoutic, B.; Guiziou, L.; Basiuk, V.; Becoulet, A.; Clairet, F.; Colas, L.; Devynck, P.; Gil, C.; Joffrin, E.; Litaudon, X.; Segui, J.L.; Voitsekhovitch, I.; Zou, X.L. [Association Euratom-CEA, Centre d`Etudes de Cadarache, 13 - Saint-Paul-lez-Durance (France). Dept. de Recherches sur la Fusion Controlee; Budny, R.V. [Princeton Plasma Physics Laboratory, New Jersey (United States)

    1996-12-31

    Various steady-state non-inductive plasmas, with strong electron heating and significant modification of the current density profile, have been routinely obtained on Tore Supra in either Lower Hybrid Current Drive or Fast Ware Heating experiments. In those dominant electron heating discharges, the dependence of electron heat diffusivity({chi}{sub e}) on the electron temperature gradient, the magnetic shear (s) and the safety factor (q) has been investigated. The increase of {chi}{sub e} with {nabla}T{sub e} indicates the existence of a critical temperature gradient. Moreover, the current density profile effect on the global confinement and the local transport is clearly observed. The electron heat flux (q{sub e}) is found to be roughly proportional to q{sup 2}. The effect of magnetic shear on {chi}{sub e} is studied in the improved confinement discharges obtained by modifying of the current profile. {chi}{sub e} decreases when the magnetic shear increases in the confinement zone and/or when it vanishes in the plasma center. When s becomes negative a decrease in {chi}{sub e} by two orders of magnitude is observed. The effect of the current profile is also observed in the saturated ohmic regime. Comparisons between experimental {chi}{sub e} and well known local transport models (Taroni, and Rebut - Lallia -Watkins) are reported. (authors). 31 refs.

  17. Radial transport of radiation belt electrons due to stormtime Pc5 waves

    Directory of Open Access Journals (Sweden)

    A. Y. Ukhorskiy

    2009-05-01

    Full Text Available During geomagnetic storms relativistic electron fluxes in the outer radiation belt exhibit dynamic variability over multiple orders of magnitude. This requires radial transport of electrons across their drift shells and implies violation of their third adiabatic invariant. Radial transport is induced by the interaction of the electron drift motion with electric and magnetic field fluctuations in the ULF frequency range. It was previously shown that solar-wind driven ULF waves have long azimuthal wave lengths and thus can violate the third invariant of trapped electrons in the process of resonant interaction with their gradient-curvature motion. However, the amplitude of solar-wind driven ULF waves rapidly decreases with decreasing L. It is therefore not clear what mechanisms are responsible for fast transport rates observed inside the geosynchronous orbit. In this paper we investigate wether stormtime Pc5 waves can contribute to this process. Stormtime Pc5s have short azimuthal wave lengths and therefore cannot exhibit resonance with the the electron drift motion. However we show that stormtime Pc5s can cause localized random scattering of electron drift motion that violates the third invariant. According to our results electron interaction with stormtime Pc5s can produce rapid radial transport even as low as L≃4. Numerical simulations show that electron transport can exhibit large deviations from radial diffusion. The diffusion approximation is not valid for individual storms but only applies to the statistically averaged response of the outer belt to stormtime Pc5 waves.

  18. Theoretical study of electron transport throughout some molecular structures

    Science.gov (United States)

    Abbas, Mohammed A. A.; Hanoon, Falah H.; Al-Badry, Lafy F.

    2017-11-01

    The present work is a theoretical study of the electronic properties of some molecular structures. The system that takes into account in the study is left lead-donor-molecule-acceptor-right lead. The molecule, such as (phenyl, biphenyl, triphenyl, naphthalene, anthracene, and phenanthrene), is threaded by magnetic flux. This work contains two parts. First is computing density of states of the molecular structures as a closed system by density functional theory (DFT). Second is calculating the transmission probability and electric current of such molecular structures as an open system by steady-state theoretical model. Furthermore, the most important effects, taking into consideration are quantum interference, magnetic flux, and interface structure. Our results show that the connection of the molecule to the two leads, the number of rings, the magnetic flux, and the geometrical structure of the molecule play an important role in determining the energy gap of molecular structures.

  19. NOM-facilitated transport of metal ions in aquifers: importance of complex-dissociation kinetics and colloid formation.

    Science.gov (United States)

    Schmitt, D; Saravia, F; Frimmel, F H; Schuessler, W

    2003-09-01

    The transport of metal ions (Al, Fe, Zn, Pb) complexed by natural organic matter (NOM) was investigated by column experiments. Direct breakthrough of metal-NOM complexes was observed after elution of one bed volume for Al, Fe, and Pb, but not for Zn. This observation cannot be understood assuming local thermodynamic equilibrium in the columns. Hence, a model was developed, taking into account the kinetics of the interactions of metal ions with NOM and the solid phase. Of all possible reactions during passage through the column, the dissociation of the metal-NOM complexes was assumed to be the rate-determining step. Dissociation-rate constants were determined by cation-exchange experiments with a non-NOM-adsorbing cation-exchange resin (Chelex-100). These rate constants were used to predict the migration of metal-NOM complexes in the column experiments. Experimental and modeling results were in good agreement for the bivalent metal ions. Also, the model well predicted the pH dependence of breakthrough of trivalent metal ions and the differences between Al and Fe breakthrough on a qualitative basis. This leads to the conclusion that the dissociation kinetics of metal-NOM complexes is an essential parameter for the estimation of NOM-facilitated metal transport. However, for the trivalent metals, Al and Fe, the model overestimated the direct breakthrough, thus giving a worst case prediction of metal transport. With the help of coupling size-exclusion chromatography to inductively coupled plasma-mass spectrometry, the formation of Al-hydroxide and Fe-hydroxide colloids in addition to NOM complexes was detected. These colloids, which were not considered in the model, were partially filtered off in the column, thus leading to overestimation of metal breakthrough.

  20. Kinetic dissolution of carbonates and Mn oxides in acidic water: Measurement of in situ field rates and reactive transport modeling

    Science.gov (United States)

    Brown, J.G.; Glynn, P.D.

    2003-01-01

    The kinetics of carbonate and Mn oxide dissolution under acidic conditions were examined through the in situ exposure of pure phase samples to acidic ground water in Pinal Creek Basin, Arizona. The average long-term calculated in situ dissolution rates for calcite and dolomite were 1.65??10-7 and 3.64??10-10 mmol/(cm2 s), respectively, which were about 3 orders of magnitude slower than rates derived in laboratory experiments by other investigators. Application of both in situ and lab-derived calcite and dolomite dissolution rates to equilibrium reactive transport simulations of a column experiment did not improve the fit to measured outflow chemistry: at the spatial and temporal scales of the column experiment, the use of an equilibrium model adequately simulated carbonate dissolution in the column. Pyrolusite (MnO2) exposed to acidic ground water for 595 days increased slightly in weight despite thermodynamic conditions that favored dissolution. This result might be related to a recent finding by another investigator that the reductive dissolution of pyrolusite is accompanied by the precipitation of a mixed Mn-Fe oxide species. In PHREEQC reactive transport simulations, the incorporation of Mn kinetics improved the fit between observed and simulated behavior at the column and field scales, although the column-fitted rate for Mn-oxide dissolution was about 4 orders of magnitude greater than the field-fitted rate. Remaining differences between observed and simulated contaminant transport trends at the Pinal Creek site were likely related to factors other than the Mn oxide dissolution rate, such as the concentration of Fe oxide surface sites available for adsorption, the effects of competition among dissolved species for available surface sites, or reactions not included in the model.

  1. Kinetic properties and Na+ dependence of rheogenic Na(+)-HCO3- co-transport in frog retinal pigment epithelium.

    Science.gov (United States)

    la Cour, M

    1991-01-01

    1. Na(+)-HCO3- co-transport across the retinal membrane of the frog retinal pigment epithelium was studied by means of double-barrelled pH-selective microelectrodes. Transient changes in the intracellular pH were monitored in response to abrupt changes in the Na+ concentration on the retinal side of the epithelium. 2. The experiments were performed as follows. The Na(+)-HCO3- co-transport was inhibited by perfusing the retinal side of the epithelium with a Na(+)-free solution. The co-transport was then stimulated by changing the perfusate from the Na(+)-free solution to a solution which contained from 5 to 110 mM-Na+. The resulting inward Na(+)-HCO3- co-transport produced an intracellular alkalinization, the initial rate of which was used to calculate the initial rate of Na(+)-HCO3- co-transport, JHCO3-. 3. The Na+ dependence of the Na(+)-HCO3- co-transport was studied at two different values of extracellular pH (7.40 and 7.10), at constant extracellular HCO3- concentration (27.5 mM) and at two different extracellular HCO3- concentrations (27.5 mM and 55 mM) at constant extracellular pH (7.40). In these experiments, the calculated values of JHCO3- followed single Michaelis-Menten kinetics with respect to the extracellular Na+ concentration. 4. The data are consistent with a model in which the co-transporter has a single binding site for the Na+ ion with an apparent affinity constant (apparent Km) of 37 mM. The apparent affinity constant for Na+ was independent of the extracellular concentration of CO3(2-) in the range of 16-65 microM, and of the extracellular HCO3- concentration in the range 27.5-55 mM. 5. The NaCO3- ion-pair hypothesis, in which sodium binds to the co-transporter and is translocated across the cell membrane as the NaCO3- ion pair, was analysed. For stoichiometries 1:2 and 1:3 of the Na(+)-HCO3- co-transport, the NaCO3- ion-pair hypothesis was found incompatible with the data. 6. The intracellular buffer capacity as measured by the CO2 method was

  2. Opto-electronic and quantum transport properties of semiconductor nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Sabathil, M.

    2005-01-01

    In this work a novel and efficient method for the calculation of the ballistic transport properties of open semiconductor nanostructures connected to external reservoirs is presented. It is based on the Green's function formalism and reduces the effort to obtain the transmission and the carrier density to a single solution of a hermitian eigenvalue problem with dimensions proportional to the size of the decoupled device and the multiple inversion of a small matrix with dimensions proportional to the size of the contacts to the leads. Using this method, the 4-band GaAs hole transport through a 2-dimensional three-terminal T-junction device, and the resonant tunneling current through a 3-dimensional InAs quantum dot molecule embedded into an InP heterostructure have been calculated. The further extension of the method into a charge self-consistent scheme enables the efficient prediction of the IV-characteristics of highly doped nanoscale field effect transistors in the ballistic regime, including the influence of quasi bound states and the exchange-correlation interaction. Buettiker probes are used to emulate the effect of inelastic scattering on the current for simple 1D devices, systematically analyzing the dependence of the density of states and the resulting self-consistent potential on the scattering strength. The second major topic of this work is the modeling of the optical response of quantum confined neutral and charged excitons in single and coupled self-assembled InGaAs quantum dots. For this purpose the existing device simulator nextnano{sup 3} has been extended to incorporate particle-particle interactions within the means of density functional theory in local density approximation. In this way the exciton transition energies for neutral and charged excitons as a function of an externally applied electric field have been calculated, revealing a systematic reduction of the intrinsic dipole with the addition of extra holes to the exciton, a finding

  3. Relativistic particle transport in extragalactic jets: I. Coupling MHD and kinetic theory

    OpenAIRE

    Casse, F.; Marcowith, A.

    2003-01-01

    Multidimensional magneto-hydrodynamical (MHD) simulations coupled with stochastic differential equations (SDEs) adapted to test particle acceleration and transport in complex astrophysical flows are presented. The numerical scheme allows the investigation of shock acceleration, adiabatic and radiative losses as well as diffusive spatial transport in various diffusion regimes. The applicability of SDEs to astrophysics is first discussed in regards to the different regimes and the MHD code spat...

  4. Physiological Evidence for Isopotential Tunneling in the Electron Transport Chain of Methane-Producing Archaea.

    Science.gov (United States)

    Duszenko, Nikolas; Buan, Nicole R

    2017-09-15

    Many, but not all, organisms use quinones to conserve energy in their electron transport chains. Fermentative bacteria and methane-producing archaea (methanogens) do not produce quinones but have devised other ways to generate ATP. Methanophenazine (MPh) is a unique membrane electron carrier found in Methanosarcina species that plays the same role as quinones in the electron transport chain. To extend the analogy between quinones and MPh, we compared the MPh pool sizes between two well-studied Methanosarcina species, Methanosarcina acetivorans C2A and Methanosarcina barkeri Fusaro, to the quinone pool size in the bacterium Escherichia coli We found the quantity of MPh per cell increases as cultures transition from exponential growth to stationary phase, and absolute quantities of MPh were 3-fold higher in M. acetivorans than in M. barkeri The concentration of MPh suggests the cell membrane of M. acetivorans , but not of M. barkeri , is electrically quantized as if it were a single conductive metal sheet and near optimal for rate of electron transport. Similarly, stationary (but not exponentially growing) E. coli cells also have electrically quantized membranes on the basis of quinone content. Consistent with our hypothesis, we demonstrated that the exogenous addition of phenazine increases the growth rate of M. barkeri three times that of M. acetivorans Our work suggests electron flux through MPh is naturally higher in M. acetivorans than in M. barkeri and that hydrogen cycling is less efficient at conserving energy than scalar proton translocation using MPh. IMPORTANCE Can we grow more from less? The ability to optimize and manipulate metabolic efficiency in cells is the difference between commercially viable and nonviable renewable technologies. Much can be learned from methane-producing archaea (methanogens) which evolved a successful metabolic lifestyle under extreme thermodynamic constraints. Methanogens use highly efficient electron transport systems and

  5. Electron transport in InAs nanowires and heterostructure nanowire devices

    Science.gov (United States)

    Thelander, C.; Björk, M. T.; Larsson, M. W.; Hansen, A. E.; Wallenberg, L. R.; Samuelson, L.

    2004-09-01

    Nanowires in the InAs/InP material system are grown with catalyst-assisted chemical beam epitaxy. Ohmic contacts are then fabricated to selected wires, allowing electron transport measurements to be carried out at room-temperature as well as at low T. InAs nanowires show strong quantum confinement effects, where thin wires (Heterostructure barriers of InP are also incorporated into InAs wires to produce resonant tunneling diodes and single-electron transistors (SETs) with different dot lengths. Wires containing dots with a length of 100 nm function as ideal SETs, whereas the transport in wires with 15 nm long dots is strongly governed by quantum confinement and resonant tunneling. For the smaller dots it is possible to observe electron transport through excited states.

  6. Effect of quasihelical symmetry on trapped-electron mode transport in the HSX stellarator.

    Science.gov (United States)

    Guttenfelder, W; Lore, J; Anderson, D T; Anderson, F S B; Canik, J M; Dorland, W; Likin, K M; Talmadge, J N

    2008-11-21

    This Letter presents theory-based predictions of anomalous electron thermal transport in the Helically Symmetric eXperiment stellarator, using an axisymmetric trapped-electron mode drift wave model. The model relies on modifications to a tokamak geometry that approximate the quasihelical symmetry in the Helically Symmetric eXperiment (particle trapping and local curvature) and is supported by linear 3D gyrokinetic calculations. Transport simulations predict temperature profiles that agree with experimental profiles outside a normalized minor radius of rho>0.3 and energy confinement times that agree within 10% of measurements. The simulations can reproduce the large measured electron temperatures inside rho<0.3 if an approximation for turbulent transport suppression due to shear in the radial electric field is included.

  7. Microbial electron transport and energy conservation – the foundation for optimizing bioelectrochemical systems

    Directory of Open Access Journals (Sweden)

    Frauke eKracke

    2015-06-01

    Full Text Available Microbial electrochemical techniques describe a variety of emerging technologies that use electrode-bacteria-interactions for biotechnology applications including the production of electricity, waste and wastewater treatment, bioremediation and production of valuable products. Central in each application is the ability of the microbial catalyst to interact with external electron acceptors and/or donors and its metabolic properties that enable the combination of electron transport and carbon metabolism. And here also lies the key challenge. A wide range of microbes has been discovered to be able to exchange electrons with solid surfaces or mediators but only a few have been studied in depth. Especially electron transfer mechanisms from cathodes towards the microbial organism are poorly understood but are essential for many applications such as microbial electrosynthesis. We analyse the different electron transport chains that nature offers for organisms such as metal respiring bacteria and acetogens, but also standard biotechnological organisms currently used in bio-production. Special focus lies on the essential connection of redox and energy metabolism, which is often ignored when studying bio-electrochemical systems. The possibility of extracellular electron exchange at different points in each organism is discussed regarding required redox potentials and effect on cellular redox and energy levels. Key compounds such as electron carriers (e.g. cytochromes, ferredoxin, quinones, flavins are identified and analysed regarding their possible role in electrode-microbe-interactions. This work summarizes our current knowledge on electron transport processes and uses a theoretical approach to predict the impact of different modes of transfer on the energy metabolism. As such it adds an important piece of fundamental understanding of microbial electron transport possibilities to the research community and will help to optimize and advance bio

  8. Microbial electron transport and energy conservation – the foundation for optimizing bioelectrochemical systems

    Science.gov (United States)

    Kracke, Frauke; Vassilev, Igor; Krömer, Jens O.

    2015-01-01

    Microbial electrochemical techniques describe a variety of emerging technologies that use electrode–bacteria interactions for biotechnology applications including the production of electricity, waste and wastewater treatment, bioremediation and the production of valuable products. Central in each application is the ability of the microbial catalyst to interact with external electron acceptors and/or donors and its metabolic properties that enable the combination of electron transport and carbon metabolism. And here also lies the key challenge. A wide range of microbes has been discovered to be able to exchange electrons with solid surfaces or mediators but only a few have been studied in depth. Especially electron transfer mechanisms from cathodes towards the microbial organism are poorly understood but are essential for many applications such as microbial electrosynthesis. We analyze the different electron transport chains that nature offers for organisms such as metal respiring bacteria and acetogens, but also standard biotechnological organisms currently used in bio-production. Special focus lies on the essential connection of redox and energy metabolism, which is often ignored when studying bioelectrochemical systems. The possibility of extracellular electron exchange at different points in each organism is discussed regarding required redox potentials and effect on cellular redox and energy levels. Key compounds such as electron carriers (e.g., cytochromes, ferredoxin, quinones, flavins) are identified and analyzed regarding their possible role in electrode–microbe interactions. This work summarizes our current knowledge on electron transport processes and uses a theoretical approach to predict the impact of different modes of transfer on the energy metabolism. As such it adds an important piece of fundamental understanding of microbial electron transport possibilities to the research community and will help to optimize and advance bioelectrochemical

  9. Surface electronic transport measurements: A micro multi-point probe approach

    DEFF Research Database (Denmark)

    Barreto, Lucas

    2014-01-01

    This work is mostly focused on the study of electronic transport properties of two-dimensional materials, in particular graphene and topological insulators. To study these, we have improved a unique micro multi-point probe instrument used to perform transport measurements. Not only the experimental...... setup, but the terminology used and data analysis were also ameliorated in order to simplify the interpretation of the results. We used the mentioned technique in the following projects: • The electronic transport dimensionality of epitaxial grahene grown on SiC is detected and important physical...... quantities are extracted, such as conductivity, carrier density and carrier mobility. • A method to insulate electrically epitaxial graphene grown on metals, based on a stepwise intercalation methodology, is developed and transport measurements are performed in order to test the insulation. • We show...

  10. Kinetic desorption of fluoride in a granitic soil column: Experiments and reactive transport modeling

    Science.gov (United States)

    Padhi, S.; Tokunaga, T.

    2016-12-01

    The transport of fluoride or other contaminants in subsurface largely depends on their interaction with mineral surfaces of contact. Hence, the methods to evaluate and predict the extent of these interactions are of great importance. The commonly used distribution coefficient (Kd) model does not account for temporally and spatially variable geochemical conditions (Curtis et al., 2006). This study aims to investigate the reactive transport of fluoride in a natural soil column by laboratory experiments and solute transport modeling by introducing surface complexation of fluoride to the transport simulation. For our purpose, column experiments for fluoride sorption and desorption under saturated conditions were conducted in the laboratory on a granitic soil from Tsukuba, Japan. Stable isotopes of water (δ18O and δ2H) were used as conservative tracers to evaluate the flow and transport properties. Existence of physical and chemical nonequilibrium during fluoride transport was evaluated by applying stop flow events. Long tailing during fluoride desorption was observed, and the linear Kd model failed to explain this phenomenon. Hence, a geochemical model considering fluoride sorption in soil by surface complexation was developed to explain fluoride transport in the column. The intrinsic surface complexation constants for fluoride sorption reactions and surface site protonation and deprotonation reactions were corrected from that of the optimized results from batch experiments based as suggested by Sverjensky (2003). The model with fluoride sorption defined by surface complexation explained the observed fluoride desorption data quite satisfactorily, especially the long tailing. An overshoot in the breakthrough curve observed by the simulation during early period of desorption could be due to competitive desorption, which need to be further analyzed. References: (1) Curtis, JP, Davis, JA, Nafiz, DL 2006. Wat. Res. Res., 42, W04404, doi:10.1029/2005WR003979; (2

  11. Physics Design Considerations for Diagnostic X Electron Beam Transport System

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Y-J

    2000-04-10

    The Diagnostic X (D-X) beamlines will transport the DARHT-II beam from the end of the accelerator to the Diagnostic X firing point providing four lines of sight for x-ray radiography. The design goal for the Diagnostic X beamline is to deliver four x-ray pulses with the DARHT-II dose format and time integrated spot size on each line of sight. The D-X beamline's final focus should be compatible with a range of first conjugates from 1 m-5 m. Furthermore, the D-X beamline operational parameters and the beamline layout should not preclude a possible upgrade to additional lines of sight. The DARHT-II accelerator is designed to deliver beams at a rate of 1 pulse per minute or less. Tuning the D-X beamline with several hundred optical elements would be time consuming. Therefore, minimizing the required number of tuning shots for the D-X beamline is also an important design goal. Many different beamline configurations may be able to accomplish these design objectives, and high beam quality (i.e., high current and low emittance) must be maintained throughout the chosen beamline configuration in order to achieve the DARHT-II x-ray dose format. In general, the longer the distance a beam travels, the harder it is to preserve the beam quality. Therefore, from the point of view of maintaining beam quality, it is highly desirable to minimize the beamline length. Lastly, modification to the DARHT-II building and the downstream transport should be minimized. Several processes can degrade beam quality by increasing the beam emittance, increasing the time-varying transverse beam motion, creating a beam halo, or creating a time-varying beam envelope. In this report, we consider those processes in the passive magnet lattice beamline and indicate how they constrain the beamline design. The physics design considerations for the active components such as the kicker system will be discussed in Ref. 2. In Sec. I, we discuss how beam emittance affects the x-ray forward dose. We also

  12. Electron heat transport in EAST steady-state H-mode discharges with a weak electron internal transport barrier

    Science.gov (United States)

    Du, H.; Ding, S.; Chen, J.; Wang, Y.; Lian, H.; Liu, H.; Zang, Q.; Lyu, B.; Duan, Y.; Xu, G.; Qian, J.; Gong, X.

    2017-10-01

    The global confinement (H98) increases with the internal inductance (1.0 1.2) in the recent steady-state H-mode discharges, which exhibit a weak electron ITB started at ρ = 0.4 in EAST. After turning off ECRH, the stored energy decreases by 30% in 2.5 s. Calculations suggest that both the lower hybrid electron heating and driven current move from the core to large radii after turning off ECRH. Power balance analysis show that the LH deposition profile shift from just inside the ITB to outside the ITB after ECRH termination appears to be responsible for the marked drop in stored energy. The slow stored energy decrease is believed to be connected to the long plasma current profile relaxation time. Linear gyrokinetic simulations indicate increasing low-k instability growth rate from small to large radii, which is consistent with the reduced diffusivity within the ITB. The calculations also show that the CTEM dominate within the ITB, ETG modes grow rapidly outside this region, and that ITG modes dominate near the pedestal top. Work supported by the NNSF of China #11575248.

  13. Single-electron transport in graphene-like nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Chiu, Kuei-Lin, E-mail: klc43@mit.edu [Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Xu, Yang, E-mail: yangxu-isee@zju.edu.cn [Institute of Microelectronics and Optoelectronics, College of Information Science and Electronic Engineering, Zhejiang University, 310027 (China)

    2017-01-31

    Two-dimensional (2D) materials for their versatile band structures and strictly 2D nature have attracted considerable attention over the past decade. Graphene is a robust material for spintronics owing to its weak spin–orbit and hyperfine interactions, while monolayer transition metal dichalcogenides (TMDs) possess a Zeeman effect-like band splitting in which the spin and valley degrees of freedom are nondegenerate. The surface states of topological insulators (TIs) exhibit a spin–momentum locking that opens up the possibility of controlling the spin degree of freedom in the absence of an external magnetic field. Nanostructures made of these materials are also viable for use in quantum computing applications involving the superposition and entanglement of individual charge and spin quanta. In this article, we review a selection of transport studies addressing the confinement and manipulation of charges in nanostructures fabricated from various 2D materials. We supply the entry-level knowledge for this field by first introducing the fundamental properties of 2D bulk materials followed by the theoretical background relevant to the physics of nanostructures. Subsequently, a historical review of experimental development in this field is presented, from the early demonstration of graphene nanodevices on SiO{sub 2} substrate to more recent progress in utilizing hexagonal boron nitride to reduce substrate disorder. In the second part of this article, we extend our discussion to TMDs and TI nanostructures. We aim to outline the current challenges and suggest how future work will be geared towards developing spin qubits in 2D materials.

  14. Single-electron transport in graphene-like nanostructures

    Science.gov (United States)

    Chiu, Kuei-Lin; Xu, Yang

    2017-01-01

    Two-dimensional (2D) materials for their versatile band structures and strictly 2D nature have attracted considerable attention over the past decade. Graphene is a robust material for spintronics owing to its weak spin-orbit and hyperfine interactions, while monolayer transition metal dichalcogenides (TMDs) possess a Zeeman effect-like band splitting in which the spin and valley degrees of freedom are nondegenerate. The surface states of topological insulators (TIs) exhibit a spin-momentum locking that opens up the possibility of controlling the spin degree of freedom in the absence of an external magnetic field. Nanostructures made of these materials are also viable for use in quantum computing applications involving the superposition and entanglement of individual charge and spin quanta. In this article, we review a selection of transport studies addressing the confinement and manipulation of charges in nanostructures fabricated from various 2D materials. We supply the entry-level knowledge for this field by first introducing the fundamental properties of 2D bulk materials followed by the theoretical background relevant to the physics of nanostructures. Subsequently, a historical review of experimental development in this field is presented, from the early demonstration of graphene nanodevices on SiO2 substrate to more recent progress in utilizing hexagonal boron nitride to reduce substrate disorder. In the second part of this article, we extend our discussion to TMDs and TI nanostructures. We aim to outline the current challenges and suggest how future work will be geared towards developing spin qubits in 2D materials.

  15. Rotavirus NSP4: Cell type-dependent transport kinetics to the exofacial plasma membrane and release from intact infected cells.

    Science.gov (United States)

    Gibbons, Thomas F; Storey, Stephen M; Williams, Cecelia V; McIntosh, Avery; Mitchel, DeAnne M; Parr, Rebecca D; Schroeder, Megan E; Schroeder, Friedhelm; Ball, Judith M

    2011-06-06

    Rotavirus NSP4 localizes to multiple intracellular sites and is multifunctional, contributing to RV morphogenesis, replication and pathogenesis. One function of NSP4 is the induction of early secretory diarrhea by binding surface receptors to initiate signaling events. The aims of this study were to determine the transport kinetics of NSP4 to the exofacial plasma membrane (PM), the subsequent release from intact infected cells, and rebinding to naïve and/or neighboring cells in two cell types. Transport kinetics was evaluated using surface-specific biotinylation/streptavidin pull-downs and exofacial exposure of NSP4 was confirmed by antibody binding to intact cells, and fluorescent resonant energy transfer. Transfected cells similarly were monitored to discern NSP4 movement in the absence of infection or other viral proteins. Endoglycosidase H digestions, preparation of CY3- or CY5- labeled F(ab)2 fragments, confocal imaging, and determination of preferential polarized transport employed standard laboratory techniques. Mock-infected, mock-biotinylated and non-specific antibodies served as controls. Only full-length (FL), endoglycosidase-sensitive NSP4 was detected on the exofacial surface of two cell types, whereas the corresponding cell lysates showed multiple glycosylated forms. The C-terminus of FL NSP4 was detected on exofacial-membrane surfaces at different times in different cell types prior to its release into culture media. Transport to the PM was rapid and distinct yet FL NSP4 was secreted from both cell types at a time similar to the release of virus. NSP4-containing, clarified media from both cells bound surface molecules of naïve cells, and imaging showed secreted NSP4 from one or more infected cells bound neighboring cell membranes in culture. Preferential sorting to apical or basolateral membranes also was distinct in different polarized cells. The intracellular transport of NSP4 to the PM, translocation across the PM, exposure of the C-terminus on

  16. Electron transport in a one dimensional conductor with inelastic scattering by self-consistent reservoirs

    OpenAIRE

    Roy, Dibyendu; Dhar, Abhishek

    2006-01-01

    We present an extension of the work of D'Amato and Pastawski on electron transport in a one-dimensional conductor modeled by the tight binding lattice Hamiltonian and in which inelastic scattering is incorporated by connecting each site of the lattice to one-dimensional leads. This model incorporates B\\"uttiker's original idea of dephasing probes. Here we consider finite temperatures and study both electrical and heat transport across a chain with applied chemical potential and temperature gr...

  17. Quantum electronic transport of topological surface states in beta-Ag2Se nanowire

    OpenAIRE

    Kim, Jihwan; Hwang, Ahreum; Lee, Sang-Hoon; Jhi, Seung-Hoon; Lee, Sunghun; Park, Yun Chang; Kim, Si-in; Kim, Hong-Seok; Doh, Yong-Joo; Kim, Jinhee; Kim, Bongsoo

    2016-01-01

    Single-crystalline \\beta-Ag2Se nanostructures, a new class of 3D topological insulators (TIs), were synthesized using the chemical vapor transport method. The topological surface states were verified by measuring electronic transport properties including the weak antilocalization effect, Aharonov-Bohm oscillations, and Shubnikov-de Haas oscillations. First-principles band calculations revealed that the band inversion in \\b{eta}-Ag2Se is caused by strong spin-orbit coupling and Ag-Se bonding h...

  18. Electron uptake and delivery sites on plastocyanin in its reactions with the photosynthetic electron transport system

    DEFF Research Database (Denmark)

    Farver, O; Shahak, Y; Pecht, I

    1982-01-01

    French bean plastocyanin is stoichiometrically and specifically labeled upon reduction by Cr(II)aq ions, yielding a substitution-inert (Cr(III) adduct at the protein surface. The effect of the modification on the activity of plastocyanin in electron transfer between photosystems II and I has been...... and Cr-labeled plastocyanin were indistinguishable, the rates of photooxidation of the modified protein were markedly attenuated relative to those of the native one. This difference in reactivity clearly reflects the perturbation of the electron transfer pathway to P700. These findings, in conjunction...... with the structure of plastocyanin and the locus of CR(III) binding on its surface, lead to the following interpretation: (a) There are most probably two physiologically significant, electron transfer sites on plastocyanin. (b) The site involved in the electron transfer to P700 is most likely in the region...

  19. "Sticky electrons" transport and interfacial transfer of electrons in the dye-sensitized solar cell.

    Science.gov (United States)

    Peter, Laurence

    2009-11-17

    Dye-sensitized solar cells (DSCs, also known as Gratzel cells) mimic the photosynthetic process by using a sensitizer dye to harvest light energy to generate electrical power. Several functional features of these photochemical devices are unusual, and DSC research offers a rewarding arena in which to test new ideas, new materials, and new methodologies. Indeed, one of the most attractive chemical features of the DSC is that the basic concept can be used to construct a range of devices, replacing individual components with alternative materials. Despite two decades of increasing research activity, however, many aspects of the behavior of electrons in the DSC remain puzzling. In this Account, we highlight current understanding of the processes involved in the functioning of the DSC, with particular emphasis on what happens to the electrons in the mesoporous film following the injection step. The collection of photoinjected electrons appears to involve a random walk process in which electrons move through the network of interconnected titanium dioxide nanoparticles while undergoing frequent trapping and detrapping. During their passage to the cell contact, electrons may be lost by transfer to tri-iodide species in the redox electrolyte that permeates the mesoporous film. Competition between electron collection and back electron transfer determines the performance of a DSC: ideally, all injected electrons should be collected without loss. This Account then goes on to survey recent experimental and theoretical progress in the field, placing particular emphasis on issues that need to be resolved before we can gain a clear picture of how the DSC works. Several important questions about the behavior of "sticky" electrons, those that undergo multiple trapping and detrapping, in the DSC remain unanswered. The most fundamental of these concerns is the nature of the electron traps that appear to dominate the time-dependent photocurrent and photovoltage response of DSCs. The

  20. Field-controlled electron transfer and reaction kinetics of the biological catalytic system of microperoxidase-11 and hydrogen peroxide

    Directory of Open Access Journals (Sweden)

    Yongki Choi

    2011-12-01

    Full Text Available Controlled reaction kinetics of the bio-catalytic system of microperoxidase-11 and hydrogen peroxide has been achieved using an electrostatic technique. The technique allowed independent control of 1 the thermodynamics of the system using electrochemical setup and 2 the quantum mechanical tunneling at the interface between microperoxidase-11 and the working electrode by applying a gating voltage to the electrode. The cathodic currents of electrodes immobilized with microperoxidase-11 showed a dependence on the gating voltage in the presence of hydrogen peroxide, indicating a controllable reduction reaction. The measured kinetic parameters of the bio-catalytic reduction showed nonlinear dependences on the gating voltage as the result of modified interfacial electron tunnel due to the field induced at the microperoxidase-11-electrode interface. Our results indicate that the kinetics of the reduction of hydrogen peroxide can be controlled by a gating voltage and illustrate the operation of a field-effect bio-catalytic transistor, whose current-generating mechanism is the conversion of hydrogen peroxide to water with the current being controlled by the gating voltage.

  1. Electronic structure and transport properties of quasi-one-dimensional carbon nanomaterials

    Science.gov (United States)

    Wu, Y. N.; Cheng, P.; Wu, M. J.; Zhu, H.; Xiang, Q.; Ni, J.

    2017-09-01

    Based on the density functional theory combined with the nonequilibrium Green's function, the influence of the wrinkle on the electronic structures and transport properties of quasi-one-dimensional carbon nanomaterials have been investigated, in which the wrinkled armchair graphene nanoribbons (wAGNRs) and the composite of AGNRs and single walled carbon nanotubes (SWCNTs) were considered with different connection of ripples. The wrinkle adjusts the electronic structures and transport properties of AGNRs. With the change of the strain, the wAGNRs for three width families reveal different electrical behavior. The band gap of AGNR(6) increases in the presence of the wrinkle, which is opposite to that of AGNR(5) and AGNR(7). The transport of AGNRs with the widths 6 or 7 has been modified by the wrinkle, especially by the number of isolated ripples, but it is insensitive to the strain. The nanojunctions constructed by AGNRs and SWCNTs can form the quantum wells, and some specific states are confined in wAGNRs. Although these nanojunctions exhibit the metallic, they have poor conductance due to the wrinkle. The filling of C20 into SWCNT has less influence on the electronic structure and transport of the junctions. The width and connection type of ripples have greatly influenced on the electronic structures and transport properties of quasi-one-dimensional nanomaterials.

  2. Electronic structure and transport properties of quasi-one-dimensional carbon nanomaterials

    Directory of Open Access Journals (Sweden)

    Y. N. Wu

    2017-09-01

    Full Text Available Based on the density functional theory combined with the nonequilibrium Green’s function, the influence of the wrinkle on the electronic structures and transport properties of quasi-one-dimensional carbon nanomaterials have been investigated, in which the wrinkled armchair graphene nanoribbons (wAGNRs and the composite of AGNRs and single walled carbon nanotubes (SWCNTs were considered with different connection of ripples. The wrinkle adjusts the electronic structures and transport properties of AGNRs. With the change of the strain, the wAGNRs for three width families reveal different electrical behavior. The band gap of AGNR(6 increases in the presence of the wrinkle, which is opposite to that of AGNR(5 and AGNR(7. The transport of AGNRs with the widths 6 or 7 has been modified by the wrinkle, especially by the number of isolated ripples, but it is insensitive to the strain. The nanojunctions constructed by AGNRs and SWCNTs can form the quantum wells, and some specific states are confined in wAGNRs. Although these nanojunctions exhibit the metallic, they have poor conductance due to the wrinkle. The filling of C20 into SWCNT has less influence on the electronic structure and transport of the junctions. The width and connection type of ripples have greatly influenced on the electronic structures and transport properties of quasi-one-dimensional nanomaterials.

  3. Thermally driven hopping and electron transport in amorphous materials from density functional calculations

    Energy Technology Data Exchange (ETDEWEB)

    Abtew, Tesfaye A; Drabold, D A [Department of Physics and Astronomy, Ohio University, Athens, OH 45701-2979 (United States)

    2004-11-10

    In this paper we study electron dynamics and transport in models of amorphous silicon and amorphous silicon hydride. By integrating the time-dependent Kohn-Sham equation, we compute the time evolution of electron states near the gap, and study the spatial and spectral diffusion of these states due to lattice motion. We perform these calculations with a view to developing ab initio hopping transport methods. The techniques are implemented with the ab initio local basis code SIESTA, and may be applicable to molecular, biomolecular and other condensed matter systems.

  4. Time-resolved electron transport in quantum-dot systems; Zeitaufgeloester Elektronentransport in Quantendotsystemen

    Energy Technology Data Exchange (ETDEWEB)

    Croy, Alexander

    2010-06-30

    In this thesis the time-resolved electron transport in quantum dot systems was studied. For this two different formalisms were presented: The nonequilibrium Green functions and the generalized quantum master equations. For both formalisms a propagation method for the numerical calculation of time-resolved expectation values, like the occupation and the electron current, was developed. For the demonstration of the propagation method two different question formulations were considered. On the one hand the stochastically driven resonant-level model was studied. On the other hand the pulse-induced transport through a double quantum dot was considered.

  5. Iterative solution of the multistream electron transport equation. I - Comparison with laboratory beam injection experiments

    Science.gov (United States)

    Porter, H. S.; Varosi, F.; Mayr, H. G.

    1987-01-01

    The Neumann iteration method presently used for solving the electron transport equation in which energy, attitude, and pitch angle are independent variables is fast, and can compute numerical point-response-function solutions of the electron transport equation. Because both the inelastic cross sections and angular elastic cross sections of the model are empirically based, the solutions obtained represent a test of compatibility between various sets of cross sections and energy deposition measurements. The use of a numerical quadrature based on analytic phase function forms yields accurate phase function integrals at low computational cost.

  6. Probing the electronic transport on the reconstructed Au/Ge(001 surface

    Directory of Open Access Journals (Sweden)

    Franciszek Krok

    2014-09-01

    Full Text Available By using scanning tunnelling potentiometry we characterized the lateral variation of the electrochemical potential µec on the gold-induced Ge(001-c(8 × 2-Au surface reconstruction while a lateral current flows through the sample. On the reconstruction and across domain boundaries we find that µec shows a constant gradient as a function of the position between the contacts. In addition, nanoscale Au clusters on the surface do not show an electronic coupling to the gold-induced surface reconstruction. In combination with high resolution scanning electron microscopy and transmission electron microscopy, we conclude that an additional transport channel buried about 2 nm underneath the surface represents a major transport channel for electrons.

  7. Electron transport in bulk GaN under ultrashort high-electric field transient

    Science.gov (United States)

    Korotyeyev, V. V.; Kochelap, V. A.; Kim, K. W.

    2011-10-01

    We have investigated nonlinear electron transport in GaN induced by high-electric field transients by analyzing the temporal dependence of the electron drift velocity and temperature. For picosecond transients, our calculations have established that the electron dynamics retain almost all the features of the steady-state velocity-field characteristics including the portion with negative differential conductivity. It was also found that transient currents in GaN samples give rise to the THz re-emission effect—radiation of electromagnetic field, temporal and spectral properties of which directly relate to the velocity-field characteristics of the sample. The results clearly indicate that existing methods for the generation of high-electric field transients and subpicosecond signal measurements can be applied to the characterization of hot electron transport at ultrahigh fields while avoiding Joule self-heating, hot phonon accumulation and other undesirable effects.

  8. Probing the electronic transport on the reconstructed Au/Ge(001) surface

    Science.gov (United States)

    Krok, Franciszek; Kaspers, Mark R; Bernhart, Alexander M; Nikiel, Marek; Jany, Benedykt R; Indyka, Paulina; Wojtaszek, Mateusz; Möller, Rolf

    2014-01-01

    Summary By using scanning tunnelling potentiometry we characterized the lateral variation of the electrochemical potential µec on the gold-induced Ge(001)-c(8 × 2)-Au surface reconstruction while a lateral current flows through the sample. On the reconstruction and across domain boundaries we find that µec shows a constant gradient as a function of the position between the contacts. In addition, nanoscale Au clusters on the surface do not show an electronic coupling to the gold-induced surface reconstruction. In combination with high resolution scanning electron microscopy and transmission electron microscopy, we conclude that an additional transport channel buried about 2 nm underneath the surface represents a major transport channel for electrons. PMID:25247129

  9. Kinetic study of the first one-electron stage of indium ionization

    Energy Technology Data Exchange (ETDEWEB)

    Dmitrienko, S.V.; Molodov, A.I.; Losev, V.V. (Nauchno-Issledovatel' skij Fiziko-Khimicheskij Inst., Moscow (USSR))

    1982-11-01

    Using the method of rotating disk electrode kinetics of the stage of In particle transfer through the phase interface electrode-electrolyte is studied. The investigations are carried out in the electrolyte of the composition xMHClO/sub 4/+(3-x)MNaClO/sub 4/, where x=(3x10/sup -3/-3)M at 22 deg C. The region of the stage actual kinetics is found and anodic coefficient of transfer of the stage is determined. The stage studied obeys the theorem of delayed discharge. The established independence of the stage rate of hydrogen ion concentration proves that the chemical reaction of indium intermediate hydrolized particles formation takes place in subsequent stages of indium dissolution.

  10. Crystallization kinetics of the phase change material GeSb6Te measured with dynamic transmission electron microscopy.

    Science.gov (United States)

    Winseck, M M; Cheng, H-Y; Campbell, G H; Santala, M K

    2016-06-14

    GeSb6Te is a chalcogenide-based phase change material that has shown great ptoential for use in solid-state memory devices. The crystallization kinetics of amorphous thin films of GeSb6Te during laser crystallization were followed with dynamic transmission electron microscopy, a photo-emission electron microscopy technique with nanosecond-scale time resolution. Nine-frame movies of crystal growth were taken during laser crystallization. The nucleation rate is observed to be very low and the growth rates are very high, up to 10.8 m s(-1) for amorphous as-deposited films and significantly higher for an amorphous film subject to sub-threshold laser annealing before crystallization. The measured growth rates exceed any directly measured growth rate of a phase change material. The crystallization is reminiscent of explosive crystallization of elemental semiconductors both in the magnitude of the growth rate and in the resulting crystalline microstructures.

  11. Extensive electron transport and energization via multiple, localized dipolarizing flux bundles

    Science.gov (United States)

    Gabrielse, Christine; Angelopoulos, Vassilis; Harris, Camilla; Artemyev, Anton; Kepko, Larry; Runov, Andrei

    2017-05-01

    Using an analytical model of multiple dipolarizing flux bundles (DFBs) embedded in earthward traveling bursty bulk flows, we demonstrate how equatorially mirroring electrons can travel long distances and gain hundreds of keV from betatron acceleration. The model parameters are constrained by four Time History of Events and Macroscale Interactions during Substorms satellite observations, putting limits on the DFBs' speed, location, and magnetic and electric field magnitudes. We find that the sharp, localized peaks in magnetic field have such strong spatial gradients that energetic electrons ∇B drift in closed paths around the peaks as those peaks travel earthward. This is understood in terms of the third adiabatic invariant, which remains constant when the field changes on timescales longer than the electron's drift timescale: An energetic electron encircles a sharp peak in magnetic field in a closed path subtending an area of approximately constant flux. As the flux bundle magnetic field increases the electron's drift path area shrinks and the electron is prevented from escaping to the ambient plasma sheet, while it continues to gain energy via betatron acceleration. When the flux bundles arrive at and merge with the inner magnetosphere, where the background field is strong, the electrons suddenly gain access to previously closed drift paths around the Earth. DFBs are therefore instrumental in transporting and energizing energetic electrons over long distances along the magnetotail, bringing them to the inner magnetosphere and energizing them by hundreds of keV.Plain Language SummaryScientists have wondered how narrow flow channels in space could transport and energize electrons enough before the electrons escape the channel. They also wondered how narrow, localized magnetic field peaks (and their electric fields) contribute to electron energization in comparison to wide, large-scale electromagnetic fields. We show that it is actually because these fields are so

  12. Flexibility in photosynthetic electron transport: the physiological role of plastoquinol terminal oxidase (PTOX).

    Science.gov (United States)

    McDonald, Allison E; Ivanov, Alex G; Bode, Rainer; Maxwell, Denis P; Rodermel, Steven R; Hüner, Norman P A

    2011-08-01

    Oxygenic photosynthesis depends on a highly conserved electron transport system, which must be particularly dynamic in its response to environmental and physiological changes, in order to avoid an excess of excitation energy and subsequent oxidative damage. Apart from cyclic electron flow around PSII and around PSI, several alternative electron transport pathways exist including a plastoquinol terminal oxidase (PTOX) that mediates electron flow from plastoquinol to O(2). The existence of PTOX was first hypothesized in 1982 and this was verified years later based on the discovery of a non-heme, di-iron carboxylate protein localized to thylakoid membranes that displayed sequence similarity to the mitochondrial alternative oxidase. The absence of this protein renders higher plants susceptible to excitation pressure dependant variegation combined with impaired carotenoid synthesis. Chloroplasts, as well as other plastids (i.e. etioplasts, amyloplasts and chromoplasts), fail to assemble organized internal membrane structures correctly, when exposed to high excitation pressure early in development. While the role of PTOX in plastid development is established, its physiological role under stress conditions remains equivocal and we postulate that it serves as an alternative electron sink under conditions where the acceptor side of PSI is limited. The aim of this review is to provide an overview of the past achievements in this field and to offer directions for future investigative efforts. Plastoquinol terminal oxidase (PTOX) is involved in an alternative electron transport pathway that mediates electron flow from plastoquinol to O(2). This article is part of a Special Issue entitled: Regulation of Electron Transport in Chloroplasts. Copyright © 2010 Elsevier B.V. All rights reserved.

  13. Investigations of Electron Transport Properties in Metal-Organic Frameworks for Catalytic Applications

    OpenAIRE

    Ahrenholtz, Spencer Rae

    2016-01-01

    Metal-organic frameworks (MOFs) have attracted much attention in the past few decades due to their ordered, crystalline nature, synthetic tunability, and porosity. MOFs represent a class of hybrid inorganic-organic materials that have been investigated for their applications in areas such as gas sorption and separation, catalysis, drug delivery, and electron or proton conduction. It has been the goal of my graduate research to investigate MOFs for their ability to transport electrons and stor...

  14. Spin-polarized transport in a two-dimensional electron gas with interdigital-ferromagnetic contacts

    DEFF Research Database (Denmark)

    Hu, C.-M.; Nitta, Junsaku; Jensen, Ane

    2001-01-01

    Ferromagnetic contacts on a high-mobility, two-dimensional electron gas (2DEG) in a narrow gap semiconductor with strong spin-orbit interaction are used to investigate spin-polarized electron transport. We demonstrate the use of magnetized contacts to preferentially inject and detect specific spin...... orientations. Spin dephasing and spin precession effects are studied by temperature and 2DEG channel length dependent measurements. Interdigital-ferromagnetic contacts suppress unwanted effects due to ferromagnetic microstrip inhomogeneities by averaging....

  15. Specification of Requirements for Visually Impaired Persons in Services in Transportation Electronic Information System

    Directory of Open Access Journals (Sweden)

    Michal Jerabek

    2014-08-01

    Full Text Available This article highlights the basic concept of the expansion of the current transportation information system in the Czech Republic by employing the Near Field Communication technology for the visually impaired passengers. Nowadays are electronic information systems an integral part of transportation arrangements in every city. They are built with the aim to offer to its constituents various services and to facilitate their orientation in a complex transportation network. These systems, however, do not necessarily take into consideration the needs of the handicapped, for example the visually impaired, although precisely this group needs correct and aptly transmitted information more than any other segment of the population.

  16. Electron-spin relaxation in bulk III-V semiconductors from a fully microscopic kinetic spin Bloch equation approach

    Science.gov (United States)

    Jiang, J. H.; Wu, M. W.

    2009-03-01

    Electron spin relaxation in bulk III-V semiconductors is investigated from a fully microscopic kinetic spin Bloch equation approach where all relevant scatterings, such as, the electron-nonmagnetic-impurity, electron-phonon, electron-electron, electron-hole, and electron-hole exchange (the Bir-Aronov-Pikus mechanism) scatterings are explicitly included. The Elliott-Yafet mechanism is also fully incorporated. This approach offers a way toward thorough understanding of electron spin relaxation both near and far away from the equilibrium in the metallic regime. The dependences of the spin relaxation time on electron density, temperature, initial spin polarization, photo-excitation density, and hole density are studied thoroughly with the underlying physics analyzed. We find that these dependences are usually qualitatively different in the nondegenerate and degenerate regimes. In contrast to the previous investigations in the literature, we find that: (i) In n -type materials, the Elliott-Yafet mechanism is less important than the D’yakonov-Perel’ mechanism, even for the narrow band-gap semiconductors such as InSb and InAs. (ii) The density dependence of the spin relaxation time is nonmonotonic and we predict a peak in the metallic regime in both n -type and intrinsic materials. (iii) In intrinsic materials, the Bir-Aronov-Pikus mechanism is found to be negligible compared with the D’yakonov-Perel’ mechanism. We also predict a peak in the temperature dependence of spin relaxation time which is due to the nonmonotonic temperature dependence of the electron-electron Coulomb scattering in intrinsic materials with small initial spin polarization. (iv) In p -type III-V semiconductors, the Bir-Aronov-Pikus mechanism dominates spin relaxation in the low-temperature regime only when the photoexcitation density is low. When the photoexcitation density is high, the Bir-Aronov-Pikus mechanism can be comparable with the D’yakonov-Perel’ mechanism only in the moderate

  17. Electron transport and nonlinear optical properties of substituted aryldimesityl boranes: a DFT study.

    Directory of Open Access Journals (Sweden)

    Altaf Hussain Pandith

    Full Text Available A comprehensive theoretical study was carried out on a series of aryldimesityl borane (DMB derivatives using Density Functional theory. Optimized geometries and electronic parameters like electron affinity, reorganization energy, frontiers molecular contours, polarizability and hyperpolarizability have been calculated by employing B3PW91/6-311++G (d, p level of theory. Our results show that the Hammett function and geometrical parameters correlates well with the reorganization energies and hyperpolarizability for the series of DMB derivatives studied in this work. The orbital energy study reveals that the electron releasing substituents increase the LUMO energies and electron withdrawing substituents decrease the LUMO energies, reflecting the electron transport character of aryldimesityl borane derivatives. From frontier molecular orbitals diagram it is evident that mesityl rings act as the donor, while the phenylene and Boron atom appear as acceptors in these systems. The calculated hyperpolarizability of secondary amine derivative of DMB is 40 times higher than DMB (1. The electronic excitation contributions to the hyperpolarizability studied by using TDDFT calculation shows that hyperpolarizability correlates well with dipole moment in ground and excited state and excitation energy in terms of the two-level model. Thus the results of these calculations can be helpful in designing the DMB derivatives for efficient electron transport and nonlinear optical material by appropriate substitution with electron releasing or withdrawing substituents on phenyl ring of DMB system.

  18. Comparison of the Effects of Wave-Particle Interactions and the Kinetic Suprathermal Electron Population on the Acceleration of the Solar Wind

    Science.gov (United States)

    Tam, S. W. Y.; Chang, T.

    2002-01-01

    Kinetic effects due to wave-particle interactions and suprathermal electrons have been suggested in the literature as possible solar wind acceleration mechanisms. Ion cyclotron resonant heating, in particular, has been associated with some qualitative features observed in the solar wind. In terms of solar wind acceleration, however, it is interesting to compare the kinetic effects of suprathermal electrons with those due to the wave-particle interactions. The combined effects of the two acceleration mechanisms on the fast solar wind have been studied by Tam and Chang (1999a,b). In this study. we investigate the role of the suprathermal electron population in the acceleration of the solar wind. Our model follows the global kinetic evolution of the fast solar wind under the influence of ion cyclotron resonant heating, while taking into account Coulomb collisions, and the ambipolar electric field that is consistent with the particle distributions themselves. The kinetic effects due to the suprathermal electrons, which we define to be the tail of the electron distributions, can be included in the model as an option. By comparing the results with and without the inclusion of the suprathermal electron effects, we determine the relative importance of suprathermal electrons and wave-particle interactions in driving the solar wind. We find that although suprathermal electrons enhance the ambipolar electric potential in the solar wind considerably, their overall influence as an acceleration mechanism is relatively insignificant in a wave-driven solar wind.

  19. Tracer kinetic modeling of [11C]AFM, a new PET imaging agent for the serotonin transporter

    Science.gov (United States)

    Naganawa, Mika; Nabulsi, Nabeel; Planeta, Beata; Gallezot, Jean-Dominique; Lin, Shu-Fei; Najafzadeh, Soheila; Williams, Wendol; Ropchan, Jim; Labaree, David; Neumeister, Alexander; Huang, Yiyun; Carson, Richard E

    2013-01-01

    [11C]AFM, or [11C]2-[2-(dimethylaminomethyl)phenylthio]-5-fluoromethylphenylamine, is a new positron emission tomography (PET) radioligand with high affinity and selectivity for the serotonin transporter (SERT). The purpose of this study was to determine the most appropriate kinetic model to quantify [11C]AFM binding in the healthy human brain. Positron emission tomography data and arterial input functions were acquired from 10 subjects. Compartmental modeling and the multilinear analysis-1(MA1) method were tested using the arterial input functions. The one-tissue model showed a lack of fit in low-binding regions, and the two-tissue model failed to estimate parameters reliably. Regional time–activity curves were well described by MA1. The rank order of [11C]AFM binding potential (BPND) matched well with the known regional SERT densities. For routine use of [11C]AFM, several noninvasive methods for quantification of regional binding were evaluated, including simplified reference tissue models (SRTM and SRTM2), and multilinear reference tissue models (MRTM and MRTM2). The best methods for region of interest (ROI) analysis were MA1, MRTM2, and SRTM2, with fixed population kinetic values ( or b′) for the reference methods. The MA1 and MRTM2 methods were best for parametric imaging. These results showed that [11C]AFM is a suitable PET radioligand to image and quantify SERT in humans. PMID:23921898

  20. Tracer kinetic modeling of [(11)C]AFM, a new PET imaging agent for the serotonin transporter.

    Science.gov (United States)

    Naganawa, Mika; Nabulsi, Nabeel; Planeta, Beata; Gallezot, Jean-Dominique; Lin, Shu-Fei; Najafzadeh, Soheila; Williams, Wendol; Ropchan, Jim; Labaree, David; Neumeister, Alexander; Huang, Yiyun; Carson, Richard E

    2013-12-01

    [(11)C]AFM, or [(11)C]2-[2-(dimethylaminomethyl)phenylthio]-5-fluoromethylphenylamine, is a new positron emission tomography (PET) radioligand with high affinity and selectivity for the serotonin transporter (SERT). The purpose of this study was to determine the most appropriate kinetic model to quantify [(11)C]AFM binding in the healthy human brain. Positron emission tomography data and arterial input functions were acquired from 10 subjects. Compartmental modeling and the multilinear analysis-1(MA1) method were tested using the arterial input functions. The one-tissue model showed a lack of fit in low-binding regions, and the two-tissue model failed to estimate parameters reliably. Regional time-activity curves were well described by MA1. The rank order of [(11)C]AFM binding potential (BPND) matched well with the known regional SERT densities. For routine use of [(11)C]AFM, several noninvasive methods for quantification of regional binding were evaluated, including simplified reference tissue models (SRTM and SRTM2), and multilinear reference tissue models (MRTM and MRTM2). The best methods for region of interest (ROI) analysis were MA1, MRTM2, and SRTM2, with fixed population kinetic values ( or b') for the reference methods. The MA1 and MRTM2 methods were best for parametric imaging. These results showed that [(11)C]AFM is a suitable PET radioligand to image and quantify SERT in humans.

  1. Experimental study on the kinetically induced electronic excitation in atomic collisional cascades; Experimentelle Untersuchung zur kinetisch induzierten elektronischen Anregung in atomaren Stosskaskaden

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, S.

    2006-08-15

    the present thesis deals with the ion-collision-induced electronic excitation of metallic solids. For this for the first time metal-insulator-metal layer systems are used for the detection of this electronic excitation. The here applied aluminium/aluminium oxide/silver layer sytems have barrier heights of 2.4 eV on the aluminium respectively 3.3 eV on the silver side. With the results it could uniquely be shown that the electronic excitation is generated by kinetic processes, this excitation dependenc on the kinetic energy of the colliding particles, and the excitation dependes on the charge state of the projectile.

  2. Electronic transport of molecular nanowires by considering of electron hopping energy between the second neighbors

    Directory of Open Access Journals (Sweden)

    H Rabani

    2015-07-01

    Full Text Available In this paper, we study the electronic conductance of molecular nanowires by considering the electron hopping between the first and second neighbors with the help Green’s function method at the tight-binding approach. We investigate three types of structures including linear uniform and periodic chains as well as poly(p-phenylene molecule which are embedded between two semi-infinite metallic leads. The results show that in the second neighbor approximation, the resonance, anti-resonance and Fano phenomena occur in the conductance spectra of these structures. Moreover, a new gap is observed at edge of the lead energy band wich its width depends on the value of the electron hopping energy between the second neighbors. In the systems including intrinsic gap, this hopping energy shifts the gap in the energy spectra.

  3. Influence of supplementary cementitious materials on water transport kinetics and mechanical properties of hydrated lime and cement mortars

    Directory of Open Access Journals (Sweden)

    Ince, C.

    2015-06-01

    Full Text Available The purpose of this paper is an investigation of the possible role of supplementary cementitious materials (SCMs on water transport kinetics and mechanical properties of hydrated lime (CL90 and Portland cement (PC mortars. The properties of hydrated lime are significantly different from those of cement and therefore modifying fresh and hardened properties of these mortars are vital for mortar/substrate optimisation in masonry construction. The parameters investigated in this paper often are the main barriers to the use of hydrated lime in construction practice. The results show that transfer sorptivity and time to dewater freshly-mixed hydrated lime mortars can be modified when binder is partially replaced with SCMs. Compressive strength of CL90 mortars is increased systematically with the increased replacement levels of SCMs and the results are supported with the microstructural images. The ability to modify the water transport kinetics and mechanical properties allows compatibility between the mortar and the substrate unit in masonry construction.El objetivo de este artículo es investigar el papel de los materiales cementantes suplementarios (SCMs en la cinética de transporte del agua y en las propiedades mecánicas de los morteros de cal hidratada (CL90 y cemento Portland. Las propiedades de la cal hidratada son significativamente diferentes a las del cemento y por lo tanto el control de las propiedades de los morteros frescos y endurecidos es fundamental en la optimización mortero/substrato en albañilería. Los parámetros estudiados en este trabajo son a menudo las principales barreras para el uso de la cal hidratada en la práctica de la construcción. Los resultados indican que la absortividad y el tiempo necesario para deshidratar morteros de cal hidratada recién mezclados pueden ser controlados cuando el conglomerante es parcialmente remplazado por SCMs. La resistencia a compresión de los morteros CL90 aumenta sistem

  4. Coupling Hyporheic Nitrification-Denitrification: Evaluating Net Nitrate Source-Sink Dynamics as a Function of Transport and Reaction Kinetics

    Science.gov (United States)

    Zarnetske, J. P.; Haggerty, R.; Wondzell, S. M.; Bokil, V. A.; Gonzalez Pinzon, R. A.

    2011-12-01

    The fate of biologically-available nitrogen (N) and carbon (C) in stream ecosystems is controlled by the coupling of physical transport and biogeochemical reaction kinetics. However, determining the relative role of physical and biogeochemical controls at different temporal and spatial scales is difficult. Hyporheic and riparian zones, where ground waters and stream waters mix, can be important locations controlling N and C transformations because they create strong gradients in both the physical and biogeochemical conditions that control redox biogeochemistry. We evaluated the coupling of physical transport and biogeochemical redox reactions by linking an advection, dispersion, and residence time model with a multiple Monod kinetics model simulating the concentrations of oxygen (O2), ammonium (NH4), nitrate (NO3), and dissolved organic carbon (DOC). The model successfully simulated the O2, NH4, NO3 and DOC concentration profiles observed in the hyporheic zone at our study site. We then used global Monte Carlo sensitivity analyses with a nondimensional form of the model to examine coupled nitrification-denitrification dynamics across many scales of transport and reaction conditions. Results demonstrated that the residence time of water in hyporheic systems and the uptake rate of O2 from either respiration and/or nitrification determined whether a hyporheic system was a source or a sink of NO3 to the stream. We further show that the net NO3 source or sink function of a hyporheic system is determined by the ratio of characteristic transport time to the characteristic reaction time of O2 (i.e., the Damköhler number, DaO2), where hyporheic systems with DaO2 > 1 will be net denitrification environments. Our coupling of the hydrologic and biogeochemical limitations of N transformations across different temporal and spatial scales within hyporheic zones allows us to explain the widely contrasting results of previous investigations of hyporheic N dynamics which variously

  5. Coupling Key Transport and Reaction Kinetics to Evaluate the Nitrate Source-Sink Function of Groundwater-Surface Water Environments

    Science.gov (United States)

    Zarnetske, J. P.

    2012-12-01

    Groundwater-surface water exchange environments, including groundwater discharge to coastal ecosystems, are characterized by strong hydrological and biogeochemical gradients. These gradients control the fate and transport of important ecosystem solutes, such as biologically-available nitrogen (N) and carbon. However, it is difficult to quantify the spatiotemporal coupling of these physical and biogeochemical gradients. Our recent investigations of N in groundwater-surface water environments (GSEs) help determine the relative role of these physical and biogeochemical controls across a range of temporal and spatial scales. For example, we used an advection, dispersion, and residence time model coupled with multiple Monod kinetic models to simulate the GSE concentrations of oxygen (O2), ammonium (NH4), nitrate (NO3), and dissolved organic carbon (DOC). This modeling showed how physical transport and biogeochemical reaction kinetics couple in GSEs to control the fate of NO3. Further, we examined coupled nitrification-denitrification (N source-sink) dynamics across many scales of transport and reaction conditions with global Monte Carlo sensitivity analyses and a nondimensional form of the models. Results demonstrated that the residence time of water in the GSE and the uptake rate of O2 from either respiration and/or nitrification determined whether the GSE was a source or a sink of NO3 to the surface waters. We further show that whether the GSE is a net NO3 source or net NO3 sink is determined by the ratio of the characteristic transport time to the characteristic reaction time of O2 (i.e., the Damköhler number, DaO2), where GSEs with DaO2 > 1 will be net denitrification environments. Previous investigations of N dynamics variously identified stream GSEs as either a net source or sink of NO3. Our coupling of the hydrological and biogeochemical limitations of N transformations across different temporal and spatial scales within the GSE of streams allows us to explain

  6. Study of kinetic models for nonlinear electron transport in semiconductor superlattices

    OpenAIRE

    Álvaro Ballesteros, Mariano

    2011-01-01

    Las superredes de semiconductores son cristales unidimensionales artificiales formados por muchos períodos, cada uno de ellos compuesto por dos semiconductores diferentes pero con constantes similares, por ejemplo GaAs y AlAs. Estas nanoestructuras fueron inventadas por Esaki y Tsu con el propósito de desarrollar dispositivos en los que pudieran ser observadas las oscilaciones de Bloch. Tienen aplicaciones prácticas como osciladores de alta frecuencia, láseres de cascada cuántica o detectores...

  7. Elliptic flow at SPS and RHIC from kinetic transport to hydrodynamics

    CERN Document Server

    Kolb, P F; Heinz, Ulrich W; Heiselberg, H

    2001-01-01

    Anisotropic transverse flow is studied in Pb+Pb and Au+Au collisions at SPS and RHIC energies. The centrality and transverse momentum dependence at midrapidity of the elliptic flow coefficient v_2 is calculated in the hydrodynamic and low density limits. Hydrodynamics is found to agree well with the RHIC data for semicentral collisions up to transverse momenta of 1-1.5 GeV/c, but it considerably overestimates the measured elliptic flow at SPS energies. The low density limit LDL is inconsistent with the measured magnitude of v_2 at RHIC energies and with the shape of its p_t-dependence at both RHIC and SPS energies. The success of the hydrodynamic model points to very rapid thermalization in Au+Au collisions at RHIC and provides a serious challenge for kinetic approaches based on classical scattering of on-shell particles.

  8. On the Upscaling of Reaction-Transport Processes in Porous Media with Fast Kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Kechagi, P.; Tsimpanogiannis, I.; Yortsos, Y.C.; Lichtner, P.

    2001-01-09

    This report is organized as follows: Provide a brief review of the upscaling constraints of the type (2) for a typical diffusion-reaction system. In this an analogy with two-phase flow in porous media was drawn. Then, using the methodology of QW a problem at the unit cell for the computation of the effective mass transfer coefficient, in processes where local thermodynamic equilibrium applies was derived. This problem is found to be different than in QW, as it depends on the gradients of the macroscale variable, and can be cast in terms of an eigenvalue problem. Two simple, examples, one involving advection-dissolution and another involving drying in a pore network, was presented to illustrate the coupling between scales and to show the quantitative effect in case this coupling was neglected. Finally, similar ideas and an illustrative example was applied to reaction-diffusion systems with fast kinetics, where an equilibrium state is approached.

  9. Electron transport in heterogeneous media; Transporte de eletrons em meios heterogeneos

    Energy Technology Data Exchange (ETDEWEB)

    Falcao, Rossana Cavalieri

    1992-05-15

    In this work it is presented a model to calculate dose enhancement in the vicinity of plane interfaces irradiated by therapeutic electron beams. The proposed model is based on an approximation of the Boltzmann Equation. The solutions presented to the equation are exact on its angular dependency, making it possible to observe that at low Z/high Z interfaces the dose enhancement is due to an increase of the backscattering. For the inverse situation a decrease of the backscattering can be observed. Calculations have been made for some tissue-metal interfaces irradiated by 13 MeV electron beam. The dose perturbations in tissue were obtained and the results were compared with experimental data as well as Monte Carlo simulations. In both cases the agreement found was very good. (author)

  10. PFI-ZEKE (Pulsed Field Ionization-Zero Electron Kinetic Energy) para el estudio de iones

    Science.gov (United States)

    Castaño, F.; Fernández, J. A.; Basterretxea, A. Longarte. F.; Sánchez Rayo, M. N.; Martínez, R.

    Entre las áreas hacia donde ha evolucionado la Química en los últimos años están los estudios de sistemas con especies reactivas de alta energía y los dominados por fuerzas intermoleculares débiles, con energías de unas pocas kcal/mol. En efecto, el estudio de las propiedades de los iones, comenzando por su relación con la molécula neutra de la que procede, la energía de ionización, los estados vibracionales y rotacionales, energías de enlace de Van der Waals entre el ión y una amplia variedad de otras moléculas, sus confórmeros o isómeros y sus reacciones o semi-reacciones químicas están en la raíz de la necesidad de la espectroscopía conocida como PFI-ZEKE, Pulsed Field Ionization-Zero Electron Kinetic Energy. Entre las aplicaciones que requieren estos conocimientos se encuentran la generación de plasmas para la fabricación de semiconductores, memorias magnéticas, etc, así como los sistemas astrofísicos, la ionosfera terrestre, etc. La espectroscopía ZEKE es una evolución de las de fluorescencia inducida por láser, LIF, ionización multifotónica acrecentada por resonancia, REMPI, con uno y dos colores y acoplada a un sistema de tiempo de vuelo, REMPI-TOF-MS, y las espectroscopías de doble resonancia IR-UV y UV-UV. Sus espectros y la ayuda de cálculos ab inicio permite determinar las energías de enlace de complejos de van der Waals en estados fundamental y excitados, identificar confórmeros e isómeros, obtener energías de ionización experimentales aproximadas (100 cm-1) y otras variables de interés. Al igual que con LIF, REMPI y dobles resonancias, es posible utilizar muestras gaseosas, pero los espectros están muy saturados de bandas y su interpretación es difícil o imposible. Se evitan estas dificultades estudiando las moléculas o complejos en expansiones supersónicas, donde la T de los grados de libertad solo alcanzan unos pocos K. Para realizar experimentos de ZEKE hay que utilizar una propiedad recientemente

  11. Low-loss electron beam transport in a high-power, electrostatic free-electron maser

    NARCIS (Netherlands)

    Valentini, M.; van der Geer, C. A. J.; Verhoeven, A. G. A.; van der Wiel, M. J.; Urbanus, W. H.

    1997-01-01

    At the FOM Institute for Plasma Physics ''Rijnhuizen'', The Netherlands, the commissioning of a high-power, electrostatic free-electron maser is in progress. The design target is the generation of 1 MW microwave power in the frequency range 130-260 GHz. The foreseen application

  12. Diffusive Transport of Several Hundred keV Electrons in the Earth's Slot Region

    Science.gov (United States)

    Ma, Q.; Li, W.; Thorne, R. M.; Bortnik, J.; Reeves, G. D.; Spence, H. E.; Turner, D. L.; Blake, J. B.; Fennell, J. F.; Claudepierre, S. G.; Kletzing, C. A.; Kurth, W. S.; Hospodarsky, G. B.; Baker, D. N.

    2017-10-01

    We investigate the gradual diffusion of energetic electrons from the inner edge of the outer radiation belt into the slot region. The Van Allen Probes observed slow inward diffusion and decay of 200-600 keV electrons following the intense geomagnetic storm that occurred on 17 March 2013. During the 10 day nondisturbed period following the storm, the peak of electron fluxes gradually moved from L 2.7 to L 2.4, and the flux levels decreased by a factor of 2-4 depending on the electron energy. We simulated the radial intrusion and decay of electrons using a three-dimensional diffusion code, which reproduced the energy-dependent transport of electrons from 100 keV to 1 MeV in the slot region. At energies of 100-200 keV, the electrons experience fast transport across the slot region due to the dominance of radial diffusion; at energies of 200-600 keV, the electrons gradually diffuse and decay in the slot region due to the comparable rate of radial diffusion and pitch angle scattering by plasmaspheric hiss; at energies of E > 700 keV, the electrons stopped diffusing near the inner edge of outer radiation belt due to the dominant pitch angle scattering loss. In addition to plasmaspheric hiss, magnetosonic waves and VLF transmitters can cause the loss of high pitch angle electrons, relaxing the sharp "top-hat" shaped pitch angle distributions created by plasmaspheric hiss. Our simulation indicates the importance of balance between radial diffusion and loss through pitch angle scattering in forming the diffusive intrusion of energetic electrons across the slot region.

  13. Diffusive transport of energetic electrons in the solar corona: X-ray and radio diagnostics

    Science.gov (United States)

    Musset, Sophie; Kontar, Eduard; Vilmer, Nicole

    2017-08-01

    Solar flares are associated with efficient particle acceleration. In particular, energetic electrons are diagnosed through X-ray and radio emissions produced as they interact with the solar atmosphere. Particle transport from the acceleration region to the emission sites remains one of the challenging topics in the field of high energy solar physics and has a crucial impact on the interpretation of particles emissions in the context of acceleration models.In order to address the transport of flare associated energetic electrons in the low corona, we used the imaging spectroscopy capabilities of the RHESSI spacecraft to analyze the X-ray emission during the 2004 May 21 solar flare. We show that non-thermal X-ray emitting energetic electrons are trapped in the coronal part of the flaring loop. In the hypothesis of turbulent pitch-angle scattering of energetic electrons (Kontar et al. 2014), diffusive transport can lead to a confinement of energetic electrons in the coronal part of the loop. We show that this model can explain the X-ray observations with a scattering mean free path of the order of 10^8 cm, much smaller than the length of the loop itself.Such results are compared with the study by Kuznetsov and Kontar (2015) of the gyrosynchrotron emission of the same flare. The diffusive transport model can explain the radio observations with a scattering mean free path of the order of 10^7 cm. This combination of X-ray and radio observations during a flare leads to the first estimate of the energy dependence of the scattering mean free path of energetic electrons in the low corona. This result is comparable with studies of the energy dependence of the scattering mean free path of electrons in the interplanetary medium.

  14. Stable sustainment of plasmas with electron internal transport barrier by ECH in the LHD

    Science.gov (United States)

    Yoshimura, Y.; Kasahara, H.; Tokitani, M.; Sakamoto, R.; Ueda, Y.; Marushchenko, N. B.; Seki, R.; Kubo, S.; Shimozuma, T.; Igami, H.; Takahashi, H.; Tsujimura, T. I.; Makino, R.; Kobayashi, S.; Ito, S.; Mizuno, Y.; Okada, K.; Akiyama, T.; Tanaka, K.; Tokuzawa, T.; Yamada, I.; Yamada, H.; Mutoh, T.; Takeiri, Y.; the LHD Experiment Group

    2018-02-01

    The long pulse experiments in the Large Helical Device has made progress in sustainment of improved confinement states. It was found that steady-state sustainment of the plasmas with improved confinement at the core region, that is, electron internal transport barrier (e-ITB), was achieved with no significant difficulty. Sustainment of a plasma having e-ITB with the line average electron density n e_ave of 1.1 × 1019 m‑3 and the central electron temperature T e0 of ∼3.5 keV for longer than 5 min only with 340 kW ECH power was successfully demonstrated.

  15. High field electron transport in indium gallium nitride and indium aluminium nitride

    Science.gov (United States)

    Masyukov, N. A.; Dmitriev, A. V.

    2017-08-01

    In this paper, we study theoretically the hot electron transport in two nitride semiconductor solid solutions, InxGa1-xN and InxAl1-xN, in the electric fields up to 30 kV/cm. We calculate the electron drift velocity field dependence at 77 and 300 K for the bulk samples with the electron concentration of 1 × 1018 and 1 × 1019 cm-3 and alloy composition x = 0, 0.25, 0.5, 0.75, and 1.

  16. Simulation of the transport of low-energy electrons in various forms of carbon

    Energy Technology Data Exchange (ETDEWEB)

    Terrissol, M.; Combes, M.A.; Patau, J.P. (Centre de Physique Atomique, Toulouse (France))

    1981-10-01

    This work describes a Monte Carlo transport simulation of electrons with energies ranging from 10 eV to 30 keV in homogeneous and porous graphites and amorphous carbon. We have used results of Lindhard theory adapted by Ritchie for the free electron model and by Ashley who takes electron bond into account. In the case of porous graphite we have considered the pore crossing as an interaction with the possibility of surface plasmon creation at interfaces. We compare our results with Jacobi experiments and Ashley calculations.

  17. Effect of increasing length on the electronic transport of an armchair graphene nano-ribbons

    Directory of Open Access Journals (Sweden)

    Sh Aghamiri Esfahani

    2015-12-01

    Full Text Available In this research, we have investigated the effect of increasing length on the electronic transport of an armchair graphene nano-ribbons with nitrogen atom impurity and without impurity. The semi-infinite, one-dimensional molecular systems are connected to two electrodes and the electron-electron interaction is ignored. The system is described by a simple tight binding model. All calculations are based on the Green's function and Landauer–Buttiker approach, and the electrodes are described in a wide band approximation.

  18. The Possibilities of Installing Electronic CMR Waybill in Road Transport Sector

    Directory of Open Access Journals (Sweden)

    Arvydas Baublys

    2016-02-01

    Full Text Available In the article opportunities of changing paper CMR waybill into electronic are analysed, whereas the paper CMR waybill does not guarantee operational information exchange between participants of logistics chain components in road transport. Due to this reason use ofelectronic CMR waybill becomes more and more important. According to researches done by article authors, the article submitted the limitations of paper CMR waybill, benefits of electronic CMR waybill, concept model of implementing electronic CMR waybill and application possibilities of supply chain components.

  19. Wet-gas transport in the Mediterranean Sea. Selection of a combined kinetic hydrate/corrosion inhibitor system

    Energy Technology Data Exchange (ETDEWEB)

    Zettlitzer, M. [RWE Dea AG, Wietze (Germany); Rozengard, N.; Koeckritz, V. [Technical Univ. Freiberg (Germany); Malt, E. [RWE Dea AG (Egypt)

    2007-09-13

    Raw gas will be collected on a platform in the centre of the field. Due to volume and weight constraints, condensing fluids will not be separated from the gas on the platform so that the raw gas will be transported in three-phase mode (gas, water, and condensate) via a 33 km long pipeline to a gas treatment plant. Under the calculated pipeline pressure of about 100 barg, hydrate formation is - according to the outcome of thermodynamic simulations - to be expected at temperatures of 19 C and below while the pipeline may cool down to about 15 C in winter conditions. Due to logistical, environmental and economic reasons, RWE Dea decided to inhibit hydrate formation with kinetic hydrate inhibitors (KHI). As the gas also contains carbon dioxide, certain corrosivity was forecasted and addition of a corrosion inhibitor turned out to be necessary. Laboratory tests were carried out to confirm the feasibility of the concept and to define the required dosage of KHI. Service companies were contacted and several kinetic hydrate and corrosion inhibitors were screened. Experiments with the different chemicals were performed at the University of Freiberg in a high-pressure cell at the pipeline pressure of 100 barg. Hydrate formation was detected by continuous pressure registration during temperature changes and by observation through a glass window. In order to preselect the chemicals, first tests were performed with pure methane. These tests also served for calibration of the equipment with literature data and especially as an indication for the minimum chemical concentration required. A second test series was performed with synthetic gas in a composition close to that of the field gas under consideration in order to verify the results obtained with methane. Finally, the optimum kinetic hydrate inhibitor was identified as well as the required dosage concentration. Compatibility of KHI and corrosion inhibitor was experimentally proven. A further set of kinetic inhibitor tests with

  20. Electronic transport and magnetoresistivity of La0. 4Bi0. 1Ca0. 5 ...

    Indian Academy of Sciences (India)

    Electronic transport and magnetoresistivity of La0.4Bi0.1Ca0.5–SrMnO3 ( = 0.1 and 0.2) ... University, Tirupati 517 502, India; NDT/SPP, SDSC, Sriharikota 524 124, India; Low Temperature Laboratory, UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 001, India ...

  1. Structural, magnetic and electronic transport studies of RAgSn2 ...

    Indian Academy of Sciences (India)

    Structural, magnetic and electronic transport studies of RAgSn2 compounds (R = Y, Tb, Dy, Ho and Er) with Cu3Au-type. L ROMAKAa, V V ROMAKAb, I LOTOTSKAa, A SZYTULAc, B KUZHELa, A ZARZYCKIc,. E K HLILd,∗ and D FRUCHARTd. aDepartment of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryl ...

  2. Electron transport through SWNT/trans-PA/ SWNT structure (the role ...

    Indian Academy of Sciences (India)

    661–668. Electron transport through SWNT/trans-PA/. SWNT structure (the role of solitons):. A t-matrix technique. S A KETABI. 1. , H MILANI MOGHADDAM. 2,3 and N SHAHTAHMASEBI. 2. 1. School of Physics, Damghan University of Basic Sciences, Damghan, Iran. 2. Department of Physics and Center for Nanotechnology ...

  3. Halogenated 1-Hydroxynaphthalene-2-Carboxanilides Affecting Photosynthetic Electron Transport in Photosystem II

    Czech Academy of Sciences Publication Activity Database

    Goněc, T.; Kos, J.; Pesko, M.; Dohanosová, J.; Oravec, Michal; Liptaj, T.; Králová, K.; Jampílek, J.

    2017-01-01

    Roč. 22, č. 10 (2017), č. článku 1709. ISSN 1420-3049 R&D Projects: GA MŠk(CZ) LO1415 Institutional support: RVO:67179843 Keywords : hydroxynaphthalene-carboxamides * photosynthetic electron transport (PET) inhibition * spinach chloroplasts * structure-activity relationships Subject RIV: CE - Biochemistry Impact factor: 2.861, year: 2016

  4. Extension of a biochemical model for the generalized stoichiometry of electron transport limited C3 photosynthesis

    NARCIS (Netherlands)

    Yin, X.; Oijen, van M.; Schapendonk, A.H.C.M.

    2004-01-01

    The widely used steady-state model of Farquhar et al. (Planta 149: 78-90, 1980) for C-3 photosynthesis was developed on the basis of linear whole-chain (non-cyclic) electron transport. In this model, calculation of the RuBP-regeneration limited CO2-assimilation rate depends on whether it is

  5. Photosynthetic control of electron transport and the regulation of gene expression

    NARCIS (Netherlands)

    Foyer, C.H.; Neukermans, J.; Queval, G.; Noctor, G.; Harbinson, J.

    2012-01-01

    The term ‘photosynthetic control’ describes the short- and long-term mechanisms that regulate reactions in the photosynthetic electron transport (PET) chain so that the rate of production of ATP and NADPH is coordinated with the rate of their utilization in metabolism. At low irradiances these

  6. Giant electron-hole transport asymmetry in ultra-short quantum transistors.

    Science.gov (United States)

    McRae, A C; Tayari, V; Porter, J M; Champagne, A R

    2017-05-31

    Making use of bipolar transport in single-wall carbon nanotube quantum transistors would permit a single device to operate as both a quantum dot and a ballistic conductor or as two quantum dots with different charging energies. Here we report ultra-clean 10 to 100 nm scale suspended nanotube transistors with a large electron-hole transport asymmetry. The devices consist of naked nanotube channels contacted with sections of tube under annealed gold. The annealed gold acts as an n-doping top gate, allowing coherent quantum transport, and can create nanometre-sharp barriers. These tunnel barriers define a single quantum dot whose charging energies to add an electron or a hole are vastly different (e-h charging energy asymmetry). We parameterize the e-h transport asymmetry by the ratio of the hole and electron charging energies ηe-h. This asymmetry is maximized for short channels and small band gap tubes. In a small band gap device, we demonstrate the fabrication of a dual functionality quantum device acting as a quantum dot for holes and a much longer quantum bus for electrons. In a 14 nm-long channel, ηe-h reaches up to 2.6 for a device with a band gap of 270 meV. The charging energies in this device exceed 100 meV.

  7. Biguanides sensitize leukemia cells to ABT-737-induced apoptosis by inhibiting mitochondrial electron transport

    Science.gov (United States)

    Velez, Juliana; Pan, Rongqing; Lee, Jason T.C.; Enciso, Leonardo; Suarez, Marta; Duque, Jorge Eduardo; Jaramillo, Daniel; Lopez, Catalina; Morales, Ludis; Bornmann, William; Konopleva, Marina; Krystal, Gerald; Andreeff, Michael; Samudio, Ismael

    2016-01-01

    Metformin displays antileukemic effects partly due to activation of AMPK and subsequent inhibition of mTOR signaling. Nevertheless, Metformin also inhibits mitochondrial electron transport at complex I in an AMPK-independent manner, Here we report that Metformin and rotenone inhibit mitochondrial electron transport and increase triglyceride levels in leukemia cell lines, suggesting impairment of fatty acid oxidation (FAO). We also report that, like other FAO inhibitors, both agents and the related biguanide, Phenformin, increase sensitivity to apoptosis induction by the bcl-2 inhibitor ABT-737 supporting the notion that electron transport antagonizes activation of the intrinsic apoptosis pathway in leukemia cells. Both biguanides and rotenone induce superoxide generation in leukemia cells, indicating that oxidative damage may sensitize toABT-737 induced apoptosis. In addition, we demonstrate that Metformin sensitizes leukemia cells to the oligomerization of Bak, suggesting that the observed synergy with ABT-737 is mediated, at least in part, by enhanced outer mitochondrial membrane permeabilization. Notably, Phenformin was at least 10-fold more potent than Metformin in abrogating electron transport and increasing sensitivity to ABT-737, suggesting that this agent may be better suited for targeting hematological malignancies. Taken together, our results suggest that inhibition of mitochondrial metabolism by Metformin or Phenformin is associated with increased leukemia cell susceptibility to induction of intrinsic apoptosis, and provide a rationale for clinical studies exploring the efficacy of combining biguanides with the orally bioavailable derivative of ABT-737, Venetoclax. PMID:27283492

  8. Electron-phonon scattering from Green’s function transport combined with molecular dynamics

    DEFF Research Database (Denmark)

    Markussen, Troels; Palsgaard, Mattias Lau Nøhr; Stradi, Daniele

    2017-01-01

    We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green’s function based transport calculations and molecular dynamics, we obtain a temperature dependent transmission from which we evaluate the mobility. We validate our...

  9. Promotion of Cyclic Electron Transport Around Photosystem I with the Development of C4 Photosynthesis.

    Science.gov (United States)

    Munekage, Yuri Nakajima; Taniguchi, Yukimi Y

    2016-05-01

    C4 photosynthesis is present in approximately 7,500 species classified into 19 families, including monocots and eudicots. In the majority of documented cases, a two-celled CO2-concentrating system that uses a metabolic cycle of four-carbon compounds is employed. C4 photosynthesis repeatedly evolved from C3 photosynthesis, possibly driven by the survival advantages it bestows in the hot, often dry, and nutrient-poor soils of the tropics and subtropics. The development of the C4 metabolic cycle greatly increased the ATP demand in chloroplasts during the evolution of malic enzyme-type C4 photosynthesis, and the additional ATP required for C4 metabolism may be produced by the cyclic electron transport around PSI. Recent studies have revealed the nature of cyclic electron transport and the elevation of its components during C4 evolution. In this review, we discuss the energy requirements of C3 and C4 photosynthesis, the current model of cyclic electron transport around PSI and how cyclic electron transport is promoted during C4 evolution using studies on the genus Flaveria, which contains a number of closely related C3, C4 and C3-C4 intermediate species. © The Author 2016. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

  10. Krylov subspace method for evaluating the self-energy matrices in electron transport calculations

    DEFF Research Database (Denmark)

    Sørensen, Hans Henrik Brandenborg; Hansen, Per Christian; Petersen, D. E.

    2008-01-01

    We present a Krylov subspace method for evaluating the self-energy matrices used in the Green's function formulation of electron transport in nanoscale devices. A procedure based on the Arnoldi method is employed to obtain solutions of the quadratic eigenvalue problem associated with the infinite...

  11. A reflective optical transport system for ultraviolet Thomson scattering from electron plasma waves on OMEGAa)

    Science.gov (United States)

    Katz, J.; Boni, R.; Sorce, C.; Follett, R.; Shoup, M. J.; Froula, D. H.

    2012-10-01

    A reflective optical transport system has been designed for the OMEGA Thomson-scattering diagnostic. A Schwarzschild objective that uses two concentric spherical mirrors coupled to a Pfund objective provides diffraction-limited imaging across all reflected wavelengths. This enables the operator to perform Thomson-scattering measurements of ultraviolet (0.263 μm) light scattered from electron plasma waves.

  12. A reflective optical transport system for ultraviolet Thomson scattering from electron plasma waves on OMEGA.

    Science.gov (United States)

    Katz, J; Boni, R; Sorce, C; Follett, R; Shoup, M J; Froula, D H

    2012-10-01

    A reflective optical transport system has been designed for the OMEGA Thomson-scattering diagnostic. A Schwarzschild objective that uses two concentric spherical mirrors coupled to a Pfund objective provides diffraction-limited imaging across all reflected wavelengths. This enables the operator to perform Thomson-scattering measurements of ultraviolet (0.263 μm) light scattered from electron plasma waves.

  13. A reflective optical transport system for ultraviolet Thomson scattering from electron plasma waves on OMEGA

    Energy Technology Data Exchange (ETDEWEB)

    Katz, J.; Boni, R.; Sorce, C.; Follett, R.; Shoup, M. J. III; Froula, D. H. [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623-1299 (United States)

    2012-10-15

    A reflective optical transport system has been designed for the OMEGA Thomson-scattering diagnostic. A Schwarzschild objective that uses two concentric spherical mirrors coupled to a Pfund objective provides diffraction-limited imaging across all reflected wavelengths. This enables the operator to perform Thomson-scattering measurements of ultraviolet (0.263 {mu}m) light scattered from electron plasma waves.

  14. Using Adobe Flash animations of electron transport chain to teach and learn biochemistry.

    Science.gov (United States)

    Teplá, Milada; Klímová, Helena

    2015-01-01

    Teaching the subject of the electron transport chain is one of the most challenging aspects of the chemistry curriculum at the high school level. This article presents an educational program called "Electron Transport Chain" which consists of 14 visual animations including a biochemistry quiz. The program was created in the Adobe Flash CS3 Professional animation program and is designed for high school chemistry students. Our goal is to develop educational materials that facilitate the comprehension of this complex subject through dynamic animations which show the course of the electron transport chain and simultaneously explain its nature. We record the process of the electron transport chain, including connections with oxidative phosphorylation, in such a way as to minimize the occurrence of discrepancies in interpretation. The educational program was evaluated in high schools through the administration of a questionnaire, which contained 12 opened-ended items and which required participants to evaluate the graphics of the animations, chemical content, student preferences, and its suitability for high school biochemistry teaching. © 2015 The International Union of Biochemistry and Molecular Biology.

  15. Study of structural and electronic transport properties of Ce-doped ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 58; Issue 5-6. Study of structural and electronic transport properties of Ce-doped LaMnO3. Shahid Husain R J Choudhary Ravi Kumar S I Patil J P Srivastava. Colossal Magnetoresistance & Other Materials Volume 58 Issue 5-6 May-June 2002 pp 1045-1049 ...

  16. Model for ballistic spin-transport in ferromagnet/two-dimensional electron gas/ferromagnet structures

    NARCIS (Netherlands)

    Schapers, T; Nitta, J; Heersche, HB; Takayanagi, H

    The spin dependent conductance of a ferromagnet/two-dimensional electron gas ferromagnet structure is theoretically examined in the ballistic transport regime. It is shown that the spin signal can be improved considerably by making use of the spin filtering effect of a barrier at the ferromagnet

  17. Giant electron-hole transport asymmetry in ultra-short quantum transistors

    Science.gov (United States)

    McRae, A. C.; Tayari, V.; Porter, J. M.; Champagne, A. R.

    2017-05-01

    Making use of bipolar transport in single-wall carbon nanotube quantum transistors would permit a single device to operate as both a quantum dot and a ballistic conductor or as two quantum dots with different charging energies. Here we report ultra-clean 10 to 100 nm scale suspended nanotube transistors with a large electron-hole transport asymmetry. The devices consist of naked nanotube channels contacted with sections of tube under annealed gold. The annealed gold acts as an n-doping top gate, allowing coherent quantum transport, and can create nanometre-sharp barriers. These tunnel barriers define a single quantum dot whose charging energies to add an electron or a hole are vastly different (e-h charging energy asymmetry). We parameterize the e-h transport asymmetry by the ratio of the hole and electron charging energies ηe-h. This asymmetry is maximized for short channels and small band gap tubes. In a small band gap device, we demonstrate the fabrication of a dual functionality quantum device acting as a quantum dot for holes and a much longer quantum bus for electrons. In a 14 nm-long channel, ηe-h reaches up to 2.6 for a device with a band gap of 270 meV. The charging energies in this device exceed 100 meV.

  18. Modifying Surface Chemistry of Metal Oxides for Boosting Dissolution Kinetics in Water by Liquid Cell Electron Microscopy.

    Science.gov (United States)

    Lu, Yue; Geng, Jiguo; Wang, Kuan; Zhang, Wei; Ding, Wenqiang; Zhang, Zhenhua; Xie, Shaohua; Dai, Hongxing; Chen, Fu-Rong; Sui, Manling

    2017-08-22

    Dissolution of metal oxides is fundamentally important for understanding mineral evolution and micromachining oxide functional materials. In general, dissolution of metal oxides is a slow and inefficient chemical reaction. Here, by introducing oxygen deficiencies to modify the surface chemistry of oxides, we can boost the dissolution kinetics of metal oxides in water, as in situ demonstrated in a liquid environmental transmission electron microscope (LETEM). The dissolution rate constant significantly increases by 16-19 orders of magnitude, equivalent to a reduction of 0.97-1.11 eV in activation energy, as compared with the normal dissolution in acid. It is evidenced from the high-resolution TEM imaging, electron energy loss spectra, and first-principle calculations where the dissolution route of metal oxides is dynamically changed by local interoperability between altered water chemistry and surface oxygen deficiencies via electron radiolysis. This discovery inspires the development of a highly efficient electron lithography method for metal oxide films in ecofriendly water, which offers an advanced technique for nanodevice fabrication.

  19. STOMP Subsurface Transport Over Multiple Phases Version 1.0 Addendum: ECKEChem Equilibrium-Conservation-Kinetic Equation Chemistry and Reactive Transport

    Energy Technology Data Exchange (ETDEWEB)

    White, Mark D.; McGrail, B. Peter

    2005-12-01

    flow and transport simulator, STOMP (Subsurface Transport Over Multiple Phases). Prior to these code development activities, the STOMP simulator included sequential and scalable implementations for numerically simulating the injection of supercritical CO2 into deep saline aquifers. Additionally, the sequential implementations included operational modes that considered nonisothermal conditions and kinetic dissolution of CO2 into the saline aqueous phase. This addendum documents the advancement of these numerical simulation capabilities to include reactive transport in the STOMP simulator through the inclusion of the recently PNNL developed batch geochemistry solution module ECKEChem (Equilibrium-Conservation-Kinetic Equation Chemistry). Potential geologic reservoirs for sequestering CO2 include deep saline aquifers, hydrate-bearing formations, depleted or partially depleted natural gas and petroleum reservoirs, and coal beds. The mechanisms for sequestering carbon dioxide in geologic reservoirs include physical trapping, dissolution in the reservoir fluids, hydraulic trapping (hysteretic entrapment of nonwetting fluids), and chemical reaction. This document and the associated code development and verification work are concerned with the chemistry of injecting CO2 into geologic reservoirs. As geologic sequestration of CO2 via chemical reaction, namely precipitation reactions, are most dominate in deep saline aquifers, the principal focus of this document is the numerical simulation of CO2 injection, migration, and geochemical reaction in deep saline aquifers. The ECKEChem batch chemistry module was developed in a fashion that would allow its implementation into all operational modes of the STOMP simulator, making it a more versatile chemistry component. Additionally, this approach allows for verification of the ECKEChem module against more classical reactive transport problems involving aqueous systems.

  20. Kinetics of proton transport into influenza virions by the viral M2 channel.

    Directory of Open Access Journals (Sweden)

    Tijana Ivanovic

    Full Text Available M2 protein of influenza A viruses is a tetrameric transmembrane proton channel, which has essential functions both early and late in the virus infectious cycle. Previous studies of proton transport by M2 have been limited to measurements outside the context of the virus particle. We have developed an in vitro fluorescence-based assay to monitor internal acidification of individual virions triggered to undergo membrane fusion. We show that rimantadine, an inhibitor of M2 proton conductance, blocks the acidification-dependent dissipation of fluorescence from a pH-sensitive virus-content probe. Fusion-pore formation usually follows internal acidification but does not require it. The rate of internal virion acidification increases with external proton concentration and saturates with a pK(m of ∼4.7. The rate of proton transport through a single, fully protonated M2 channel is approximately 100 to 400 protons per second. The saturating proton-concentration dependence and the low rate of internal virion acidification derived from authentic virions support a transporter model for the mechanism of proton transfer.