WorldWideScience

Sample records for methods electronic transport

  1. Innovative electron transport methods in EGS5

    International Nuclear Information System (INIS)

    Bielajew, A.F.; Wilderman, S.J.

    2000-01-01

    The initial formulation of a Monte Carlo scheme for the transport of high-energy (>≅ 100 keV) electrons was established by Berger in 1963. Calling his method the 'condensed history theory', Berger combined the theoretical results of the previous generation of research into developing approximate solutions of the Boltzmann transport equation with numerical algorithms for exploiting the power of computers to permit iterative, piece-wise solution of the transport equation in a computationally intensive but much less approximate fashion. The methods devised by Berger, with comparatively little modification, provide the foundation of all present day Monte Carlo electron transport simulation algorithms. Only in the last 15 years, beginning with the development and publication of the PRESTA algorithm, has there been a significant revisitation of the problem of simulating electron transport within the condensed history framework. Research in this area is ongoing, highly active, and far from complete. It presents an enormous challenge, demanding derivation of new analytical transport solutions based on underlying fundamental interaction mechanisms, intuitive insight in the development of computer algorithms, and state of the art computer science skills in order to permit deployment of these techniques in an efficient manner. The EGS5 project, a modern ground-up rewrite of the EGS4 code, is now in the design phase. EGS5 will take modern photon and electron transport algorithms and deploy them in an easy-to-maintain, modern computer language-ANSI-standard C ++. Moreover, the well-known difficulties of applying EGS4 to practical geometries (geometry code development, tally routine design) should be made easier and more intuitive through the use of a visual user interface being designed by Quantum Research, Inc., work that is presented elsewhere in this conference. This report commences with a historical review of electron transport models culminating with the proposal of a

  2. Computational methods of electron/photon transport

    International Nuclear Information System (INIS)

    Mack, J.M.

    1983-01-01

    A review of computational methods simulating the non-plasma transport of electrons and their attendant cascades is presented. Remarks are mainly restricted to linearized formalisms at electron energies above 1 keV. The effectiveness of various metods is discussed including moments, point-kernel, invariant imbedding, discrete-ordinates, and Monte Carlo. Future research directions and the potential impact on various aspects of science and engineering are indicated

  3. Monte Carlo methods in electron transport problems. Pt. 1

    International Nuclear Information System (INIS)

    Cleri, F.

    1989-01-01

    The condensed-history Monte Carlo method for charged particles transport is reviewed and discussed starting from a general form of the Boltzmann equation (Part I). The physics of the electronic interactions, together with some pedagogic example will be introduced in the part II. The lecture is directed to potential users of the method, for which it can be a useful introduction to the subject matter, and wants to establish the basis of the work on the computer code RECORD, which is at present in a developing stage

  4. 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.

  5. 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...

  6. Electronic transport properties

    International Nuclear Information System (INIS)

    Young, W.H.

    1985-01-01

    The theory of the electron transport properties of liquid alkali metals is described. Conductivity coefficients, Boltzmann theory, Ziman theory, alkali form factors, Ziman theory and alkalis, Faber-Ziman alloy theory, Faber-Ziman theory and alkali-alkali methods, status of Ziman theory, and other transport properties, are all discussed. (UK)

  7. 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...... calculations. Numerical tests within a density functional theory framework are provided to validate the accuracy and robustness of the proposed method, which in most cases is an order of magnitude faster than conventional methods.......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...

  8. The validity of the density scaling method in primary electron transport for photon and electron beams

    International Nuclear Information System (INIS)

    Woo, M.K.; Cunningham, J.R.

    1990-01-01

    In the convolution/superposition method of photon beam dose calculations, inhomogeneities are usually handled by using some form of scaling involving the relative electron densities of the inhomogeneities. In this paper the accuracy of density scaling as applied to primary electrons generated in photon interactions is examined. Monte Carlo calculations are compared with density scaling calculations for air and cork slab inhomogeneities. For individual primary photon kernels as well as for photon interactions restricted to a thin layer, the results can differ significantly, by up to 50%, between the two calculations. However, for realistic photon beams where interactions occur throughout the whole irradiated volume, the discrepancies are much less severe. The discrepancies for the kernel calculation are attributed to the scattering characteristics of the electrons and the consequent oversimplified modeling used in the density scaling method. A technique called the kernel integration technique is developed to analyze the general effects of air and cork inhomogeneities. It is shown that the discrepancies become significant only under rather extreme conditions, such as immediately beyond the surface after a large air gap. In electron beams all the primary electrons originate from the surface of the phantom and the errors caused by simple density scaling can be much more significant. Various aspects relating to the accuracy of density scaling for air and cork slab inhomogeneities are discussed

  9. 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.

  10. Method of transport simulation for electrons between 10eV and 30keV

    International Nuclear Information System (INIS)

    Terrissol, Michel.

    1978-01-01

    A transport simulation of low energy electrons in matter using a Monte-Carlo method and studying all the interactions of the electrons with atoms, molecules or assembly of them is described. Elastic scattering, ionization, excitation, plasmon creation, reorganization following inner-shell ionization, electron-hole pair creation ... are simulated individually by sampling of confirmed experimental or theoretical cross sections. So atomic and molecular gases, metals such as aluminium and liquid water have been studied. The simulation allows to follow the electrons until their energy reaches the atomic or molecular ionization potential of the irradiated matter. The entire trajectories of primary electron and of all secondaries set in motion are exactly reproduced. Several applications to multiple scattering, radiobiology, microdosimetry, electronic microscope are represented and some results are directly compared with experimental ones [fr

  11. A computationally efficient moment-preserving Monte Carlo electron transport method with implementation in Geant4

    Energy Technology Data Exchange (ETDEWEB)

    Dixon, D.A., E-mail: ddixon@lanl.gov [Los Alamos National Laboratory, P.O. Box 1663, MS P365, Los Alamos, NM 87545 (United States); Prinja, A.K., E-mail: prinja@unm.edu [Department of Nuclear Engineering, MSC01 1120, 1 University of New Mexico, Albuquerque, NM 87131-0001 (United States); Franke, B.C., E-mail: bcfrank@sandia.gov [Sandia National Laboratories, Albuquerque, NM 87123 (United States)

    2015-09-15

    This paper presents the theoretical development and numerical demonstration of a moment-preserving Monte Carlo electron transport method. Foremost, a full implementation of the moment-preserving (MP) method within the Geant4 particle simulation toolkit is demonstrated. Beyond implementation details, it is shown that the MP method is a viable alternative to the condensed history (CH) method for inclusion in current and future generation transport codes through demonstration of the key features of the method including: systematically controllable accuracy, computational efficiency, mathematical robustness, and versatility. A wide variety of results common to electron transport are presented illustrating the key features of the MP method. In particular, it is possible to achieve accuracy that is statistically indistinguishable from analog Monte Carlo, while remaining up to three orders of magnitude more efficient than analog Monte Carlo simulations. Finally, it is shown that the MP method can be generalized to any applicable analog scattering DCS model by extending previous work on the MP method beyond analytical DCSs to the partial-wave (PW) elastic tabulated DCS data.

  12. A Monte Carlo method using octree structure in photon and electron transport

    International Nuclear Information System (INIS)

    Ogawa, K.; Maeda, S.

    1995-01-01

    Most of the early Monte Carlo calculations in medical physics were used to calculate absorbed dose distributions, and detector responses and efficiencies. Recently, data acquisition in Single Photon Emission CT (SPECT) has been simulated by a Monte Carlo method to evaluate scatter photons generated in a human body and a collimator. Monte Carlo simulations in SPECT data acquisition are generally based on the transport of photons only because the photons being simulated are low energy, and therefore the bremsstrahlung productions by the electrons generated are negligible. Since the transport calculation of photons without electrons is much simpler than that with electrons, it is possible to accomplish the high-speed simulation in a simple object with one medium. Here, object description is important in performing the photon and/or electron transport using a Monte Carlo method efficiently. The authors propose a new description method using an octree representation of an object. Thus even if the boundaries of each medium are represented accurately, high-speed calculation of photon transport can be accomplished because the number of voxels is much fewer than that of the voxel-based approach which represents an object by a union of the voxels of the same size. This Monte Carlo code using the octree representation of an object first establishes the simulation geometry by reading octree string, which is produced by forming an octree structure from a set of serial sections for the object before the simulation; then it transports photons in the geometry. Using the code, if the user just prepares a set of serial sections for the object in which he or she wants to simulate photon trajectories, he or she can perform the simulation automatically using the suboptimal geometry simplified by the octree representation without forming the optimal geometry by handwriting

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

    International Nuclear Information System (INIS)

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

    2017-01-01

    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.

  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. A simplified spherical harmonic method for coupled electron-photon transport calculations

    International Nuclear Information System (INIS)

    Josef, J.A.

    1996-12-01

    In this thesis we have developed a simplified spherical harmonic method (SP N method) and associated efficient solution techniques for 2-D multigroup electron-photon transport calculations. The SP N method has never before been applied to charged-particle transport. We have performed a first time Fourier analysis of the source iteration scheme and the P 1 diffusion synthetic acceleration (DSA) scheme applied to the 2-D SP N equations. Our theoretical analyses indicate that the source iteration and P 1 DSA schemes are as effective for the 2-D SP N equations as for the 1-D S N equations. Previous analyses have indicated that the P 1 DSA scheme is unstable (with sufficiently forward-peaked scattering and sufficiently small absorption) for the 2-D S N equations, yet is very effective for the 1-D S N equations. In addition, we have applied an angular multigrid acceleration scheme, and computationally demonstrated that it performs as well for the 2-D SP N equations as for the 1-D S N equations. It has previously been shown for 1-D S N calculations that this scheme is much more effective than the DSA scheme when scattering is highly forward-peaked. We have investigated the applicability of the SP N approximation to two different physical classes of problems: satellite electronics shielding from geomagnetically trapped electrons, and electron beam problems. In the space shielding study, the SP N method produced solutions that are accurate within 10% of the benchmark Monte Carlo solutions, and often orders of magnitude faster than Monte Carlo. We have successfully modeled quasi-void problems and have obtained excellent agreement with Monte Carlo. We have observed that the SP N method appears to be too diffusive an approximation for beam problems. This result, however, is in agreement with theoretical expectations

  16. Application of the Arbitrarily High Order Method to Coupled Electron Photon Transport

    International Nuclear Information System (INIS)

    Duo, Jose Ignacio

    2004-01-01

    This work is about the application of the Arbitrary High Order Nodal Method to coupled electron photon transport.A Discrete Ordinates code was enhanced and validated which permited to evaluate the advantages of using variable spatial development order per particle.The results obtained using variable spatial development and adaptive mesh refinement following an a posteriori error estimator are encouraging.Photon spectra for clinical accelerator target and, dose and charge depositio profiles are simulated in one-dimensional problems using cross section generated with CEPXS code.Our results are in good agreement with ONELD and MCNP codes

  17. Chord-based versus voxel-based methods of electron transport in the skeletal tissues

    International Nuclear Information System (INIS)

    Shah, Amish P.; Jokisch, Derek W.; Rajon, Didier A.; Watchman, Christopher J.; Patton, Phillip W.; Bolch, Wesley E.

    2005-01-01

    Anatomic models needed for internal dose assessment have traditionally been developed using mathematical surface equations to define organ boundaries, shapes, and their positions within the body. Many researchers, however, are now advocating the use of tomographic models created from segmented patient computed tomography (CT) or magnetic resonance (MR) scans. In the skeleton, however, the tissue structures of the bone trabeculae, marrow cavities, and endosteal layer are exceedingly small and of complex shape, and thus do not lend themselves easily to either stylistic representations or in-vivo CT imaging. Historically, the problem of modeling the skeletal tissues has been addressed through the development of chord-based methods of radiation particle transport, as given by studies at the University of Leeds (Leeds, UK) using a 44-year male subject. We have proposed an alternative approach to skeletal dosimetry in which excised sections of marrow-intact cadaver spongiosa are imaged directly via microCT scanning. The cadaver selected for initial investigation of this technique was a 66-year male subject of nominal body mass index (22.7 kg m -2 ). The objectives of the present study were to compare chord-based versus voxel-based methods of skeletal dosimetry using data from the UF 66-year male subject. Good agreement between chord-based and voxel-based transport was noted for marrow irradiation by either bone surface or bone volume sources up to 500-1000 keV (depending upon the skeletal site). In contrast, chord-based models of electron transport yielded consistently lower values of the self-absorbed fraction to marrow tissues than seen under voxel-based transport at energies above 100 keV, a feature directly attributed to the inability of chord-based models to account for nonlinear electron trajectories. Significant differences were also noted in the dosimetry of the endosteal layer (for all source tissues), with chord-based transport predicting a higher fraction of

  18. Comparison between s - and d -electron mediated transport in a photoswitching dithienylethene molecule using ab initio transport methods

    KAUST Repository

    Odell, Anders; Delin, Anna; Johansson, Bö rje; Ulman, Kanchan; Narasimhan, Shobhana; Rungger, Ivan; Sanvito, Stefano

    2011-01-01

    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

  19. Optoelectronic devices, low temperature preparation methods, and improved electron transport layers

    KAUST Repository

    Eita, Mohamed S.; El, Labban Abdulrahman; Usman, Anwar; Beaujuge, Pierre; Mohammed, Omar F.

    2016-01-01

    An optoelectronic device such as a photovoltaic device which has at least one layer, such as an electron transport layer, which comprises a plurality of alternating, oppositely charged layers including metal oxide layers. The metal oxide can be zinc

  20. Optoelectronic devices, low temperature preparation methods, and improved electron transport layers

    KAUST Repository

    Eita, Mohamed S.

    2016-08-04

    An optoelectronic device such as a photovoltaic device which has at least one layer, such as an electron transport layer, which comprises a plurality of alternating, oppositely charged layers including metal oxide layers. The metal oxide can be zinc oxide. The plurality of layers can be prepared by layer-by-layer processing in which alternating layers are built up step-by-step due to electrostatic attraction. The efficiency of the device can be increased by this processing method compared to a comparable method like sputtering. The number of layers can be controlled to improve device efficiency. Aqueous solutions can be used which is environmentally friendly. Annealing can be avoided. A quantum dot layer can be used next to the metal oxide layer to form a quantum dot heterojunction solar device.

  1. Monte Carlo Transport for Electron Thermal Transport

    Science.gov (United States)

    Chenhall, Jeffrey; Cao, Duc; Moses, Gregory

    2015-11-01

    The iSNB (implicit Schurtz Nicolai Busquet multigroup electron thermal transport method of Cao et al. is adapted into a Monte Carlo transport method in order to better model the effects of non-local behavior. The end goal is a hybrid transport-diffusion method that combines Monte Carlo Transport with a discrete diffusion Monte Carlo (DDMC). The hybrid method will combine the efficiency of a diffusion method in short mean free path regions with the accuracy of a transport method in long mean free path regions. The Monte Carlo nature of the approach allows the algorithm to be massively parallelized. Work to date on the method will be presented. This work was supported by Sandia National Laboratory - Albuquerque and the University of Rochester Laboratory for Laser Energetics.

  2. Paleoclassical electron heat transport

    International Nuclear Information System (INIS)

    Callen, J.D.

    2005-01-01

    Radial electron heat transport in low collisionality, magnetically-confined toroidal plasmas is shown to result from paleoclassical Coulomb collision processes (parallel electron heat conduction and magnetic field diffusion). In such plasmas the electron temperature equilibrates along magnetic field lines a long length L, which is the minimum of the electron collision length and a maximum effective half length of helical field lines. Thus, the diffusing field lines induce a radial electron heat diffusivity M ≅ L/(πR 0q ) ∼ 10 >> 1 times the magnetic field diffusivity η/μ 0 ≅ ν e (c/ω p ) 2 . The paleoclassical electron heat flux model provides interpretations for many features of 'anomalous' electron heat transport: magnitude and radial profile of electron heat diffusivity (in tokamaks, STs, and RFPs), Alcator scaling in high density plasmas, transport barriers around low order rational surfaces and near a separatrix, and a natural heat pinch (or minimum temperature gradient) heat flux form. (author)

  3. Electronic Transport as a Driver for Self-Interaction-Corrected Methods

    KAUST Repository

    Pertsova, Anna; Canali, Carlo Maria; Pederson, Mark R.; Rungger, Ivan; Sanvito, Stefano

    2015-01-01

    © 2015 Elsevier Inc. While spintronics often investigates striking collective spin effects in large systems, a very important research direction deals with spin-dependent phenomena in nanostructures, reaching the extreme of a single spin confined in a quantum dot, in a molecule, or localized on an impurity or dopant. The issue considered in this chapter involves taking this extreme to the nanoscale and the quest to use first-principles methods to predict and control the behavior of a few "spins" (down to 1 spin) when they are placed in an interesting environment. Particular interest is on environments for which addressing these systems with external fields and/or electric or spin currents is possible. The realization of such systems, including those that consist of a core of a few transition-metal (TM) atoms carrying a spin, connected and exchanged-coupled through bridging oxo-ligands has been due to work by many experimental researchers at the interface of atomic, molecular and condensed matter physics. This chapter addresses computational problems associated with understanding the behaviors of nano- and molecular-scale spin systems and reports on how the computational complexity increases when such systems are used for elements of electron transport devices. Especially for cases where these elements are attached to substrates with electronegativities that are very different than the molecule, or for coulomb blockade systems, or for cases where the spin-ordering within the molecules is weakly antiferromagnetic, the delocalization error in DFT is particularly problematic and one which requires solutions, such as self-interaction corrections, to move forward. We highlight the intersecting fields of spin-ordered nanoscale molecular magnets, electron transport, and coulomb blockade and highlight cases where self-interaction corrected methodologies can improve our predictive power in this emerging field.

  4. Ab initio calculation of contact effects on electron transport through single molecules by the RTM/NEGF method

    International Nuclear Information System (INIS)

    Hirose, Kenji; Kobayashi, Nobuhiko

    2006-01-01

    Using the recursion-transfer-matrix (RTM) method combined with the nonequilibrium Green's function (NEGF) method, we study the electronic states and current-voltage (I-V) characteristics of atomic-scale nanocontact systems. We find that non-linear behaviors appear in the I-V characteristics even without molecules between electrodes. Such non-linear behaviors emerge when the nanocontacts are not well constructed and the transport properties change from tunneling to ballistic regimes

  5. Efficient method for computing the electronic transport properties of a multiterminal system

    Science.gov (United States)

    Lima, Leandro R. F.; Dusko, Amintor; Lewenkopf, Caio

    2018-04-01

    We present a multiprobe recursive Green's function method to compute the transport properties of mesoscopic systems using the Landauer-Büttiker approach. By introducing an adaptive partition scheme, we map the multiprobe problem into the standard two-probe recursive Green's function method. We apply the method to compute the longitudinal and Hall resistances of a disordered graphene sample, a system of current interest. We show that the performance and accuracy of our method compares very well with other state-of-the-art schemes.

  6. Electron transport code theoretical basis

    International Nuclear Information System (INIS)

    Dubi, A.; Horowitz, Y.S.

    1978-04-01

    This report mainly describes the physical and mathematical considerations involved in the treatment of the multiple collision processes. A brief description is given of the traditional methods used in electron transport via Monte Carlo, and a somewhat more detailed description, of the approach to be used in the presently developed code

  7. Thermal diffusivity and electron transport properties of NTC samples obtained by the photoacoustic method

    International Nuclear Information System (INIS)

    Savic, S.M.; Aleksic, O.S.; Nikolic, M.V.; Lukovic, D.T.; Pejovic, V.Z.; Nikolic, P.M.

    2006-01-01

    Thermal diffusivity and electron transport parameters of sintered NTC samples were determined by the photoacoustic (PA) technique. Powder mixtures composed of MnO, NiO, CoO and Fe 2 O 3 were milled to nanometer particle size. NTC discs were dry powder pressed and sintered at different temperatures in the range from 900 deg. C to 1300 deg. C for 30 min. A second group of NTC discs was sintered at 1200 deg. C with the sintering time varying from 30 min to 360 min. These NTC samples were polished and exposed to a chopped laser beam in order to plot a response in the acoustic range. The thermal diffusivity of sintered NTC layers based on a metal oxide powder mixture was measured at room temperature by the photoacoustic technique. An increase of thermal diffusivity with the sintering temperature and time of sintering was observed

  8. Thermal diffusivity and electron transport properties of NTC samples obtained by the photoacoustic method

    Energy Technology Data Exchange (ETDEWEB)

    Savic, S.M. [Institute of Technical Sciences of SASA, Knez Mihailova 35/IV, 11000 Belgrade (Serbia); Aleksic, O.S. [Center for Multidisciplinary Studies of the University of Belgrade, Kneza Viseslava 1, 11000 Belgrade (Serbia); Nikolic, M.V. [Center for Multidisciplinary Studies of the University of Belgrade, Kneza Viseslava 1, 11000 Belgrade (Serbia); Lukovic, D.T. [Institute of Technical Sciences of SASA, Knez Mihailova 35/IV, 11000 Belgrade (Serbia); Pejovic, V.Z. [Center for Multidisciplinary Studies of the University of Belgrade, Kneza Viseslava 1, 11000 Belgrade (Serbia); Nikolic, P.M. [Institute of Technical Sciences of SASA, Knez Mihailova 35/IV, 11000 Belgrade (Serbia)]. E-mail: nikolic@sanu.ac.yu

    2006-07-15

    Thermal diffusivity and electron transport parameters of sintered NTC samples were determined by the photoacoustic (PA) technique. Powder mixtures composed of MnO, NiO, CoO and Fe{sub 2}O{sub 3} were milled to nanometer particle size. NTC discs were dry powder pressed and sintered at different temperatures in the range from 900 deg. C to 1300 deg. C for 30 min. A second group of NTC discs was sintered at 1200 deg. C with the sintering time varying from 30 min to 360 min. These NTC samples were polished and exposed to a chopped laser beam in order to plot a response in the acoustic range. The thermal diffusivity of sintered NTC layers based on a metal oxide powder mixture was measured at room temperature by the photoacoustic technique. An increase of thermal diffusivity with the sintering temperature and time of sintering was observed.

  9. Electron transport in wurtzite InN

    Indian Academy of Sciences (India)

    InN transport; mobility; energy and momentum relaxation; impurity scattering. ... future generation solar cell because the nitride alloys can cover the whole ... We apply the ensemble Monte Carlo method to investigate the electron transport in.

  10. GPU - Accelerated Monte Carlo electron transport methods: development and application for radiation dose calculations using 6 GPU cards

    International Nuclear Information System (INIS)

    Su, L.; Du, X.; Liu, T.; Xu, X. G.

    2013-01-01

    An electron-photon coupled Monte Carlo code ARCHER - Accelerated Radiation-transport Computations in Heterogeneous EnviRonments - is being developed at Rensselaer Polytechnic Institute as a software test-bed for emerging heterogeneous high performance computers that utilize accelerators such as GPUs (Graphics Processing Units). This paper presents the preliminary code development and the testing involving radiation dose related problems. In particular, the paper discusses the electron transport simulations using the class-II condensed history method. The considered electron energy ranges from a few hundreds of keV to 30 MeV. As for photon part, photoelectric effect, Compton scattering and pair production were simulated. Voxelized geometry was supported. A serial CPU (Central Processing Unit)code was first written in C++. The code was then transplanted to the GPU using the CUDA C 5.0 standards. The hardware involved a desktop PC with an Intel Xeon X5660 CPU and six NVIDIA Tesla M2090 GPUs. The code was tested for a case of 20 MeV electron beam incident perpendicularly on a water-aluminum-water phantom. The depth and later dose profiles were found to agree with results obtained from well tested MC codes. Using six GPU cards, 6*10 6 electron histories were simulated within 2 seconds. In comparison, the same case running the EGSnrc and MCNPX codes required 1645 seconds and 9213 seconds, respectively. On-going work continues to test the code for different medical applications such as radiotherapy and brachytherapy. (authors)

  11. A novel numerical method for the analysis of electron transport in the presence of pointlike magnetic scatterers

    International Nuclear Information System (INIS)

    Miyagawa, Yuu; Ueta, Tsuyoshi

    2008-01-01

    The boundary element method (BEM) is so extended as to treat two-dimensional (2D) electron systems in the presence of pointlike islands of magnetic moment. In the present paper, the pointlike magnetic scatterer is modeled by a cylindrical barrier. The radius of the cylindrical barrier is assumed to be so small, keeping the volume definite, that the pointlike magnetic scatterer is approximated by a Dirac δ function. Then, we make an approximation on the BEM formulation, wherefore we derive a novel numerical method for electron transport in the presence of pointlike magnetic scatterers. In a numerical implementation of the method extended here, the numerical errors of probability conservation are less than 1% for any cases and the computational costs, that is, the required memory amount and CPU time, are much reduced. As examples, the proposed method is applied to transport problems through a quantum wire with four pointlike magnetic scatterers. It is clearly shown that magnetic scatterers, even pointlike magnetic moments, lead to spin flip-flop, localization and resonance

  12. 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 f...

  13. Ballistic electron transport in mesoscopic samples

    International Nuclear Information System (INIS)

    Diaconescu, D.

    2000-01-01

    In the framework of this thesis, the electron transport in the ballistic regime has been studied. Ballistic means that the lateral sample dimensions are smaller than the mean free path of the electrons, i.e. the electrons can travel through the whole device without being scattered. This leads to transport characteristics that differ significantly from the diffusive regime which is realised in most experiments. Making use of samples with high mean free path, features of ballistic transport have been observed on samples with sizes up to 100 μm. The basic device used in ballistic electron transport is the point contact, from which a collimated beam of ballistic electrons can be injected. Such point contacts were realised with focused ion beam (FIB) implantation and the collimating properties were analysed using a two opposite point contact configuration. The typical angular width at half maximum is around 50 , which is comparable with that of point contacts defined by other methods. (orig.)

  14. The application of Monte Carlo method to electron and photon beams transport; Zastosowanie metody Monte Carlo do analizy transportu elektronow i fotonow

    Energy Technology Data Exchange (ETDEWEB)

    Zychor, I. [Soltan Inst. for Nuclear Studies, Otwock-Swierk (Poland)

    1994-12-31

    The application of a Monte Carlo method to study a transport in matter of electron and photon beams is presented, especially for electrons with energies up to 18 MeV. The SHOWME Monte Carlo code, a modified version of GEANT3 code, was used on the CONVEX C3210 computer at Swierk. It was assumed that an electron beam is mono directional and monoenergetic. Arbitrary user-defined, complex geometries made of any element or material can be used in calculation. All principal phenomena occurring when electron beam penetrates the matter are taken into account. The use of calculation for a therapeutic electron beam collimation is presented. (author). 20 refs, 29 figs.

  15. Monte Carlo electron/photon transport

    International Nuclear Information System (INIS)

    Mack, J.M.; Morel, J.E.; Hughes, H.G.

    1985-01-01

    A review of nonplasma coupled electron/photon transport using Monte Carlo method is presented. Remarks are mainly restricted to linerarized formalisms at electron energies from 1 keV to 1000 MeV. Applications involving pulse-height estimation, transport in external magnetic fields, and optical Cerenkov production are discussed to underscore the importance of this branch of computational physics. Advances in electron multigroup cross-section generation is reported, and its impact on future code development assessed. Progress toward the transformation of MCNP into a generalized neutral/charged-particle Monte Carlo code is described. 48 refs

  16. Efficient Ab-Initio Electron Transport Calculations for Heterostructures by the Nonequilibrium Green’s Function Method

    Directory of Open Access Journals (Sweden)

    Hirokazu Takaki

    2014-01-01

    Full Text Available We present an efficient computation technique for ab-initio electron transport calculations based on density functional theory and the nonequilibrium Green’s function formalism for application to heterostructures with two-dimensional (2D interfaces. The computational load for constructing the Green’s functions, which depends not only on the energy but also on the 2D Bloch wave vector along the interfaces and is thus catastrophically heavy, is circumvented by parallel computational techniques with the message passing interface, which divides the calculations of the Green’s functions with respect to energy and wave vectors. To demonstrate the computational efficiency of the present code, we perform ab-initio electron transport calculations of Al(100-Si(100-Al(100 heterostructures, one of the most typical metal-semiconductor-metal systems, and show their transmission spectra, density of states (DOSs, and dependence on the thickness of the Si layers.

  17. Excess electron transport in cryoobjects

    International Nuclear Information System (INIS)

    Eshchenko, D.G.; Storchak, V.G.; Brewer, J.H.; Cottrell, S.P.; Cox, S.F.J.

    2003-01-01

    Experimental results on excess electron transport in solid and liquid phases of Ne, Ar, and solid N 2 -Ar mixture are presented and compared with those for He. Muon spin relaxation technique in frequently switching electric fields was used to study the phenomenon of delayed muonium formation: excess electrons liberated in the μ + ionization track converge upon the positive muons and form Mu (μ + e - ) atoms. This process is shown to be crucially dependent upon the electron's interaction with its environment (i.e., whether it occupies the conduction band or becomes localized in a bubble of tens of angstroms in radius) and upon its mobility in these states. The characteristic lengths involved are 10 -6 -10 -4 cm, the characteristic times range from nanoseconds to tens microseconds. Such a microscopic length scale sometimes enables the electron spend its entire free lifetime in a state which may not be detected by conventional macroscopic techniques. The electron transport processes are compared in: liquid and solid helium (where electron is localized in buble); liquid and solid neon (where electrons are delocalized in solid and the coexistence of localized and delocalized electrons states was found in liquid recently); liquid and solid argon (where electrons are delocalized in both phases); orientational glass systems (solid N 2 -Ar mixtures), where our results suggest that electrons are localized in orientational glass. This scaling from light to heavy rare gases enables us to reveal new features of excess electron localization on microscopic scale. Analysis of the experimental data makes it possible to formulate the following tendency of the muon end-of-track structure in condensed rare gases. The muon-self track interaction changes from the isolated pair (muon plus the nearest track electron) in helium to multi-pair (muon in the vicinity of tens track electrons and positive ions) in argon

  18. Ballistic transport and electronic structure

    NARCIS (Netherlands)

    Schep, Kees M.; Kelly, Paul J.; Bauer, Gerrit E.W.

    1998-01-01

    The role of the electronic structure in determining the transport properties of ballistic point contacts is studied. The conductance in the ballistic regime is related to simple geometrical projections of the Fermi surface. The essential physics is first clarified for simple models. For real

  19. Plasma channels for electron beam transport

    International Nuclear Information System (INIS)

    Schneider, R.F.; Smith, J.R.; Moffatt, M.E.; Nguyen, K.T.; Uhm, H.S.

    1988-01-01

    In recent years, there has been much interest in transport of intense relativistic electron beams using plasma channels. These channels are formed by either: ionization of an organic gas by UV photoionization or electron impact ionization of a low pressure gas utilizing a low energy (typically several hundred volts) electron gun. The second method is discussed here. As their electron gun, the authors used a 12 volt lightbulb filament which is biased to -400 volts with respect to the grounded 15 cm diameter drift tube. The electrons emitted from the filament are confined by an axial magnetic field of --100 Gauss to create a plasma channel which is less than 1 cm in radius. The channel density has been determined with Langmuir probes and the resulting line densities were found to be 10 11 to 10 12 per cm. When a multi-kiloamp electron beam is injected onto this channel, the beam space charge will eject the plasma electrons leaving the ions behind to charge neutralize the electron beam, hence allowing the beam to propagate. In this work, the authors performed experimental studies on the dynamics of the plasma channel. These include Langmuir probe measurements of a steady state (DC) channel, as well as time-resolved Langmuir probe studies of pulsed channels. In addition they performed experimental studies of beam propagation in these plasma channels. Specifically, they observed the behavior of current transport in these channels. Detailed results of beam transport and channel studies are presented

  20. Transport equation solving methods

    International Nuclear Information System (INIS)

    Granjean, P.M.

    1984-06-01

    This work is mainly devoted to Csub(N) and Fsub(N) methods. CN method: starting from a lemma stated by Placzek, an equivalence is established between two problems: the first one is defined in a finite medium bounded by a surface S, the second one is defined in the whole space. In the first problem the angular flux on the surface S is shown to be the solution of an integral equation. This equation is solved by Galerkin's method. The Csub(N) method is applied here to one-velocity problems: in plane geometry, slab albedo and transmission with Rayleigh scattering, calculation of the extrapolation length; in cylindrical geometry, albedo and extrapolation length calculation with linear scattering. Fsub(N) method: the basic integral transport equation of the Csub(N) method is integrated on Case's elementary distributions; another integral transport equation is obtained: this equation is solved by a collocation method. The plane problems solved by the Csub(N) method are also solved by the Fsub(N) method. The Fsub(N) method is extended to any polynomial scattering law. Some simple spherical problems are also studied. Chandrasekhar's method, collision probability method, Case's method are presented for comparison with Csub(N) and Fsub(N) methods. This comparison shows the respective advantages of the two methods: a) fast convergence and possible extension to various geometries for Csub(N) method; b) easy calculations and easy extension to polynomial scattering for Fsub(N) method [fr

  1. Electron transport through monovalent atomic wires

    DEFF Research Database (Denmark)

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

    2004-01-01

    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......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...... and their phase is opposite to that of noble-metal chains....

  2. Excess electron transport in cryoobjects

    CERN Document Server

    Eshchenko, D G; Brewer, J H; Cottrell, S P; Cox, S F J

    2003-01-01

    Experimental results on excess electron transport in solid and liquid phases of Ne, Ar, and solid N sub 2 -Ar mixture are presented and compared with those for He. Muon spin relaxation technique in frequently switching electric fields was used to study the phenomenon of delayed muonium formation: excess electrons liberated in the mu sup + ionization track converge upon the positive muons and form Mu (mu sup + e sup -) atoms. This process is shown to be crucially dependent upon the electron's interaction with its environment (i.e., whether it occupies the conduction band or becomes localized in a bubble of tens of angstroms in radius) and upon its mobility in these states. The characteristic lengths involved are 10 sup - sup 6 -10 sup - sup 4 cm, the characteristic times range from nanoseconds to tens microseconds. Such a microscopic length scale sometimes enables the electron spend its entire free lifetime in a state which may not be detected by conventional macroscopic techniques. The electron transport proc...

  3. Model Comparison for Electron Thermal Transport

    Science.gov (United States)

    Moses, Gregory; Chenhall, Jeffrey; Cao, Duc; Delettrez, Jacques

    2015-11-01

    Four electron thermal transport models are compared for their ability to accurately and efficiently model non-local behavior in ICF simulations. Goncharov's transport model has accurately predicted shock timing in implosion simulations but is computationally slow and limited to 1D. The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. uses multigroup diffusion to speed up the calculation. Chenhall has expanded upon the iSNB diffusion model to a higher order simplified P3 approximation and a Monte Carlo transport model, to bridge the gap between the iSNB and Goncharov models while maintaining computational efficiency. Comparisons of the above models for several test problems will be presented. This work was supported by Sandia National Laboratory - Albuquerque and the University of Rochester Laboratory for Laser Energetics.

  4. Electron transport and shock ignition

    Energy Technology Data Exchange (ETDEWEB)

    Bell, A R; Tzoufras, M, E-mail: t.bell1@physics.ox.ac.uk [Clarendon Laboratory, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom)

    2011-04-15

    Inertial fusion energy (IFE) offers one possible route to commercial energy generation. In the proposed 'shock ignition' route to fusion, the target is compressed at a relatively low temperature and then ignited using high intensity laser irradiation which drives a strong converging shock into the centre of the fuel. With a series of idealized calculations we analyse the electron transport of energy into the target, which produces the pressure responsible for driving the shock. We show that transport in shock ignition lies near the boundary between ablative and heat front regimes. Moreover, simulations indicate that non-local effects are significant in the heat front regime and might lead to increased efficiency by driving the shock more effectively and reducing heat losses to the plasma corona.

  5. Recent developments in discrete ordinates electron transport

    International Nuclear Information System (INIS)

    Morel, J.E.; Lorence, L.J. Jr.

    1986-01-01

    The discrete ordinates method is a deterministic method for numerically solving the Boltzmann equation. It was originally developed for neutron transport calculations, but is routinely used for photon and coupled neutron-photon transport calculations as well. The computational state of the art for coupled electron-photon transport (CEPT) calculations is not as developed as that for neutron transport calculations. The only production codes currently available for CEPT calculations are condensed-history Monte Carlo codes such as the ETRAN and ITS codes. A deterministic capability for production calculations is clearly needed. In response to this need, we have begun the development of a production discrete ordinates code for CEPT calculations. The purpose of this paper is to describe the basic approach we are taking, discuss the current status of the project, and present some new computational results. Although further characterization of the coupled electron-photon discrete ordinates method remains to be done, the results to date indicate that the discrete ordinates method can be just as accurate and from 10 to 100 times faster than the Monte Carlo method for a wide variety of problems. We stress that these results are obtained with standard discrete ordinates codes such as ONETRAN. It is clear that even greater efficiency can be obtained by developing a new generation of production discrete ordinates codes specifically designed to solve the Boltzmann-Fokker-Planck equation. However, the prospects for such development in the near future appear to be remote

  6. 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...

  7. 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

  8. Theoretical investigations of molecular wires: Electronic spectra and electron transport

    Science.gov (United States)

    Palma, Julio Leopoldo

    The results of theoretical and computational research are presented for two promising molecular wires, the Nanostar dendrimer, and a series of substituted azobenzene derivatives connected to aluminum electrodes. The electronic absorption spectra of the Nanostar (a phenylene-ethynylene dendrimer attached to an ethynylperylene chromophore) were calculated using a sequential Molecular Dynamics/Quantum Mechanics (MD/QM) method to perform an analysis of the temperature dependence of the electronic absorption process. We modeled the Nanostar as a series of connected units, and performed MD simulations for each chromophore at 10 K and 300 K to study how the temperature affected the structures and, consequently, the spectra. The absorption spectra of the Nanostar were computed using an ensemble of 8000 structures for each chromophore. Quantum Mechanical (QM) ZINDO/S calculations were performed for each conformation in the ensemble, including 16 excited states, for a total of 128,000 excitation energies. The spectral intensity was then scaled linearly with the number of conjugated units. Our calculations for both the individual chromophores and the Nanostar, are in good agreement with experiments. We explain in detail the effects of temperature and the consequences for the absorption process. The second part of this thesis presents a study of the effects of chemical substituents on the electron transport properties of the azobenzene molecule, which has been proposed recently as a component of a light-driven molecular switch. This molecule has two stable conformations (cis and trans) in its electronic ground state, with considerable differences in their conductance. The electron transport properties were calculated using first-principles methods combining non-equilibrium Green's function (NEGF) techniques with density functional theory (DFT). For the azobenzene studies, we included electron-donating groups and electron-withdrawing groups in meta- and ortho-positions with

  9. Electronic transport in bilayer graphene

    International Nuclear Information System (INIS)

    Koshino, Mikito

    2009-01-01

    We present theoretical studies on the transport properties and localization effects of bilayer graphene. We calculate the conductivity by using the effective mass model with the self-consistent Born approximation, in the presence and absence of an energy gap opened by the interlayer asymmetry. We find that, in the absence of the gap, the minimum conductivity approaches the universal value by increasing the disorder potential, and the value is robust in the strong disorder regime where mixing with high-energy states is considerable. The gap-opening suppresses the conductivity over a wide energy range, even in the region away from the gap.We also study the localization effects in the vicinity of zero energy in bilayer graphene. We find that the states are all localized in the absence of the gap, while the gap-opening causes a phase transition analogous to the quantum Hall transition, which is accompanied by electron delocalization.

  10. Phonon limited electronic transport in Pb

    Science.gov (United States)

    Rittweger, F.; Hinsche, N. F.; Mertig, I.

    2017-09-01

    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 \

  11. Status of electron transport in MCNP trademark

    International Nuclear Information System (INIS)

    Hughes, H.G.

    1997-01-01

    The latest version of MCNP, the Los Alamos Monte Carlo transport code, has now been officially released. MCNP4B has been sent to the Radiation Safety Information Computational Center (RSICC), in Oak Ridge, Tennessee, which is responsible for the further distribution of the code within the US. International distribution of MCNP is done by the Nuclear Energy Agency (ECD/NEA), in Paris, France. Readers with access to the World-Wide-Web should consult the MCNP distribution site http://www-xdiv.lanl.gov/XTM/mcnp/about.html for specific information about contacting RSICC and OECD/NEA. A variety of new features are available in MCNP4B. Among these are differential operator perturbations, cross-section plotting capabilities, enhanced diagnostics for transport in repeated structures and lattices, improved efficiency in distributed-memory multiprocessing, corrected particle lifetime and lifespan estimators, and expanded software quality assurance procedures and testing, including testing of the multigroup Boltzmann-Fokker-Planck capability. New and improved cross section sets in the form of ENDF/B-VI evaluations have also been recently released and can be used in MCNP4B. Perhaps most significant for the interests of this special session, the electron transport algorithm has been improved, especially in the collisional energy-loss straggling and the angular-deflection treatments. In this paper, the author concentrates on a fairly complete documentation of the current status of the electron transport methods in MCNP

  12. 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...... transmission at the Fermi energy. We propose and analyze a way of using π   stacking to design molecular junctions to control heat transport. We develop a simple model system to identify optimal parameter regimes and then use density functional theory (DFT) to extract model parameters for a number of specific...

  13. Coupled electron-photon radiation transport

    International Nuclear Information System (INIS)

    Lorence, L.; Kensek, R.P.; Valdez, G.D.; Drumm, C.R.; Fan, W.C.; Powell, J.L.

    2000-01-01

    Massively-parallel computers allow detailed 3D radiation transport simulations to be performed to analyze the response of complex systems to radiation. This has been recently been demonstrated with the coupled electron-photon Monte Carlo code, ITS. To enable such calculations, the combinatorial geometry capability of ITS was improved. For greater geometrical flexibility, a version of ITS is under development that can track particles in CAD geometries. Deterministic radiation transport codes that utilize an unstructured spatial mesh are also being devised. For electron transport, the authors are investigating second-order forms of the transport equations which, when discretized, yield symmetric positive definite matrices. A novel parallelization strategy, simultaneously solving for spatial and angular unknowns, has been applied to the even- and odd-parity forms of the transport equation on a 2D unstructured spatial mesh. Another second-order form, the self-adjoint angular flux transport equation, also shows promise for electron transport

  14. Calculation of electron transport in Ar/N2 and He/Kr gas mixtures emdash implications for validity of the Blanc close-quote s law method

    International Nuclear Information System (INIS)

    Wang, Y.; Van Brunt, R.J.

    1997-01-01

    The electron drift velocities and corresponding mean energies have been calculated numerically using an approximate two-term solution of the Boltzmann transport equation for Ar/N 2 gas mixtures at electric field-to-gas density ratios (E/N) below 2.0x10 -20 Vm 2 (20 Td) and for He/Kr mixtures at E/N below 5.0x10 -21 Vm 2 (5.0 Td). The results are compared with predictions obtained from a method proposed by Chiflikian based on an open-quotes analog of Blanc close-quote s lawclose quotes [Phys. Plasmas 2, 3902 (1995)]. Large differences are found between the results derived from the Blanc close-quote s law method and those found here from solutions of the transport equation that indicate serious errors and limitations associated with use of the Blanc close-quote s law method to compute drift velocities in gas mixtures. copyright 1997 American Institute of Physics

  15. Electronic transport properties of phenylacetylene molecular junctions

    International Nuclear Information System (INIS)

    Liu Wen; Cheng Jie; Yan Cui-Xia; Li Hai-Hong; Wang Yong-Juan; Liu De-Sheng

    2011-01-01

    Electronic transport properties of a kind of phenylacetylene compound— (4-mercaptophenyl)-phenylacetylene are calculated by the first-principles method in the framework of density functional theory and the nonequilibrium Green's function formalism. The molecular junction shows an obvious rectifying behaviour at a bias voltage larger than 1.0 V. The rectification effect is attributed to the asymmetry of the interface contacts. Moreover, at a bias voltage larger than 2.0 V, which is not referred to in a relevant experiment [Fang L, Park J Y, Ma H, Jen A K Y and Salmeron M 2007 Langmuir 23 11522], we find a negative differential resistance phenomenon. The negative differential resistance effect may originate from the change of the delocalization degree of the molecular orbitals induced by the bias. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  16. Different methods to fabricate efficient planar perovskite solar cells based on solution-processing Nb2O5 as electron transporting layer

    Science.gov (United States)

    Guo, Heng; Yang, Jian; Pu, Bingxue; Zhang, Haiyan; Niu, Xiaobin

    2018-01-01

    Organo-lead perovskites as light harvesters have represented a hot field of research on high-efficiency perovskite solar cells. Previous approaches to increasing the solar cell efficiency have focused on optimization of the morphology of perovskite film. In fact, the electron transporting layer (ETL) also has a significant impact on solar cell performance. Herein, we introduce a facile and low temperature solution-processing method to deposit Nb2O5 film as ETL for PSCs. Based on Nb2O5 ETL, we investigate the effect of the annealing time for the perovskite films via different solution processing, relating it to the perovskite film morphology and its influence on the device working mechanisms. These results shed light on the origin of photovoltaic performance voltage in perovskite solar cells, and provide a path to further increase their efficiency.

  17. Study of transmission function and electronic transport in one dimensional silver nanowire: Ab-initio method using density functional theory (DFT)

    Science.gov (United States)

    Thakur, Anil; Kashyap, Rajinder

    2018-05-01

    Single nanowire electrode devices have their application in variety of fields which vary from information technology to solar energy. Silver nanowires, made in an aqueous chemical reduction process, can be reacted with gold salt to create bimetallic nanowires. Silver nanowire can be used as electrodes in batteries and have many other applications. In this paper we investigated structural and electronic transport properties of Ag nanowire using density functional theory (DFT) with SIESTA code. Electronic transport properties of Ag nanowire have been studied theoretically. First of all an optimized geometry for Ag nanowire is obtained using DFT calculations, and then the transport relations are obtained using NEGF approach. SIESTA and TranSIESTA simulation codes are used in the calculations respectively. The electrodes are chosen to be the same as the central region where transport is studied, eliminating current quantization effects due to contacts and focusing the electronic transport study to the intrinsic structure of the material. By varying chemical potential in the electrode regions, an I-V curve is traced which is in agreement with the predicted behavior. Bulk properties of Ag are in agreement with experimental values which make the study of electronic and transport properties in silver nanowires interesting because they are promising materials as bridging pieces in nanoelectronics. Transmission coefficient and V-I characteristic of Ag nano wire reveals that silver nanowire can be used as an electrode device.

  18. 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

  19. Hydrodynamic approach to electronic transport in graphene

    Energy Technology Data Exchange (ETDEWEB)

    Narozhny, Boris N. [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Moscow (Russian Federation); Gornyi, Igor V. [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); Institute of Nanotechnology, Karlsruhe Institute of Technology, Karlsruhe (Germany); Ioffe Physical Technical Institute, St. Petersburg (Russian Federation); Mirlin, Alexander D. [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); Institute of Nanotechnology, Karlsruhe Institute of Technology, Karlsruhe (Germany); Petersburg Nuclear Physics Institute, St. Petersburg (Russian Federation); Schmalian, Joerg [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); Institute for Solid State Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany)

    2017-11-15

    The last few years have seen an explosion of interest in hydrodynamic effects in interacting electron systems in ultra-pure materials. In this paper we briefly review the recent advances, both theoretical and experimental, in the hydrodynamic approach to electronic transport in graphene, focusing on viscous phenomena, Coulomb drag, non-local transport measurements, and possibilities for observing nonlinear effects. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Electron transport effects in ion induced electron emission

    Energy Technology Data Exchange (ETDEWEB)

    Dubus, A. [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. FD Roosevelt, B-1050 Brussels (Belgium)]. E-mail: adubus@ulb.ac.be; Pauly, N. [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. FD Roosevelt, B-1050 Brussels (Belgium); Roesler, M. [Karl-Pokern-Str. 12, D-12587 Berlin (Germany)

    2007-03-15

    Ion induced electron emission (IIEE) is usually described as a three-step process, i.e. electron excitation by the incident projectile, electron transport (and multiplication) and electron escape through the potential barrier at the surface. In many cases, the first step of the process has been carefully described. The second step of the process, i.e. electron transport and multiplication, has often been treated in a very rough way, a simple decreasing exponential law being sometimes used. It is precisely the aim of the present work to show the importance of a correct description of electron transport and multiplication in a theoretical calculation of IIEE. A short overview of the electron transport models developed for IIEE is given in this work. The so-called 'Infinite medium slowing-down model' often used in recent works is evaluated by means of Monte Carlo simulations. In particular, the importance of considering correctly the semi-infinite character of the medium and the boundary condition at the vacuum-medium interface is discussed. Quantities like the electron escape depth are also briefly discussed. This evaluation has been performed in the particular case of protons (25keV

  1. 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…

  2. 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 strength...

  3. Nonlinear electron transport in magnetized laser plasmas

    International Nuclear Information System (INIS)

    Kho, T.H.; Haines, M.G.

    1986-01-01

    Electron transport in a magnetized plasma heated by inverse bremsstrahlung is studied numerically using a nonlinear Fokker--Planck model with self-consistent E and B fields. The numerical scheme is described. Nonlocal transport is found to alter many of the transport coefficients derived from linear transport theory, in particular, the Nernst and Righi--Leduc effects, in addition to the perpendicular heat flux q/sub perpendicular/, are substantially reduced near critical surface. The magnetic field, however, remains strongly coupled to the nonlinear q/sub perpendicular/ and, as has been found in hydrosimulations, convective amplification of the magnetic field occurs in the overdense plasma

  4. Electron transport in heterogeneous media

    International Nuclear Information System (INIS)

    Falcao, Rossana Cavalieri

    1992-05-01

    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)

  5. Discrete Diffusion Monte Carlo for Electron Thermal Transport

    Science.gov (United States)

    Chenhall, Jeffrey; Cao, Duc; Wollaeger, Ryan; Moses, Gregory

    2014-10-01

    The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. is adapted to a Discrete Diffusion Monte Carlo (DDMC) solution method for eventual inclusion in a hybrid IMC-DDMC (Implicit Monte Carlo) method. The hybrid method will combine the efficiency of a diffusion method in short mean free path regions with the accuracy of a transport method in long mean free path regions. The Monte Carlo nature of the approach allows the algorithm to be massively parallelized. Work to date on the iSNB-DDMC method will be presented. This work was supported by Sandia National Laboratory - Albuquerque.

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

    Energy Technology Data Exchange (ETDEWEB)

    Hogeweij, G M D [FOM-Institute for Plasma Physics Rijnhuizen, Association EURATOM-FOM, PO Box 1207, NL-3430 BE Nieuwegein (Netherlands); Callen, J D [University of Wisconsin, Madison, WI 53706-1609 (United States)

    2008-06-15

    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 plasmas in small to medium size tokamaks, inside internal transport barriers (ITBs) or edge transport barriers (H-mode pedestal). In this paper predictions of the paleoclassical transport model are compared in detail with data from such kinds of discharges: ohmic discharges from the RTP tokamak, EC heated RTP discharges featuring both dynamic and shot-to-shot scans of the ECH power deposition radius and off-axis EC heated discharges from the TEXTOR tokamak. For ohmically heated RTP discharges the T{sub e} profiles predicted by the paleoclassical model are in reasonable agreement with the experimental observations, and various parametric dependences are captured satisfactorily. The electron thermal ITBs observed in steady state EC heated RTP discharges and transiently after switch-off of off-axis ECH in TEXTOR are predicted very well by the paleoclassical model.

  7. Multidimensional electron-photon transport with standard discrete ordinates codes

    International Nuclear Information System (INIS)

    Drumm, C.R.

    1995-01-01

    A method is described for generating electron cross sections that are compatible with standard discrete ordinates codes without modification. There are many advantages of using an established discrete ordinates solver, e.g. immediately available adjoint capability. Coupled electron-photon transport capability is needed for many applications, including the modeling of the response of electronics components to space and man-made radiation environments. The cross sections have been successfully used in the DORT, TWODANT and TORT discrete ordinates codes. The cross sections are shown to provide accurate and efficient solutions to certain multidimensional electronphoton transport problems

  8. Hybrid transport and diffusion modeling using electron thermal transport Monte Carlo SNB in DRACO

    Science.gov (United States)

    Chenhall, Jeffrey; Moses, Gregory

    2017-10-01

    The iSNB (implicit Schurtz Nicolai Busquet) multigroup diffusion electron thermal transport method is adapted into an Electron Thermal Transport Monte Carlo (ETTMC) transport method to better model angular and long mean free path non-local effects. Previously, the ETTMC model had been implemented in the 2D DRACO multiphysics code and found to produce consistent results with the iSNB method. Current work is focused on a hybridization of the computationally slower but higher fidelity ETTMC transport method with the computationally faster iSNB diffusion method in order to maximize computational efficiency. Furthermore, effects on the energy distribution of the heat flux divergence are studied. Work to date on the hybrid method will be presented. This work was supported by Sandia National Laboratories and the Univ. of Rochester Laboratory for Laser Energetics.

  9. Epitaxial graphene electronic structure and transport

    International Nuclear Information System (INIS)

    De Heer, Walt A; Berger, Claire; Wu Xiaosong; Sprinkle, Mike; Hu Yike; Ruan Ming; First, Phillip N; Stroscio, Joseph A; Haddon, Robert; Piot, Benjamin; Faugeras, Clement; Potemski, Marek; Moon, Jeong-Sun

    2010-01-01

    Since its inception in 2001, the science and technology of epitaxial graphene on hexagonal silicon carbide has matured into a major international effort and is poised to become the first carbon electronics platform. A historical perspective is presented and the unique electronic properties of single and multilayered epitaxial graphenes on electronics grade silicon carbide are reviewed. Early results on transport and the field effect in Si-face grown graphene monolayers provided proof-of-principle demonstrations. Besides monolayer epitaxial graphene, attention is given to C-face grown multilayer graphene, which consists of electronically decoupled graphene sheets. Production, structure and electronic structure are reviewed. The electronic properties, interrogated using a wide variety of surface, electrical and optical probes, are discussed. An overview is given of recent developments of several device prototypes including resistance standards based on epitaxial graphene quantum Hall devices and new ultrahigh frequency analogue epitaxial graphene amplifiers.

  10. Low energy electron transport in furfural

    OpenAIRE

    Lozano, Ana I.; Krupa, K.; Ferreira da Silva, F.; Limao-Vieira, Paulo; Blanco, Francisco; Muñoz, Antonio; Jones, D. B.; Brunger, M. J.; García, Gustavo

    2017-01-01

    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 simulat...

  11. Methods for testing transport models

    International Nuclear Information System (INIS)

    Singer, C.; Cox, D.

    1991-01-01

    Substantial progress has been made over the past year on six aspects of the work supported by this grant. As a result, we have in hand for the first time a fairly complete set of transport models and improved statistical methods for testing them against large databases. We also have initial results of such tests. These results indicate that careful application of presently available transport theories can reasonably well produce a remarkably wide variety of tokamak data

  12. Deterministic methods in radiation transport

    International Nuclear Information System (INIS)

    Rice, A.F.; Roussin, R.W.

    1992-06-01

    The Seminar on Deterministic Methods in Radiation Transport was held February 4--5, 1992, in Oak Ridge, Tennessee. Eleven presentations were made and the full papers are published in this report, along with three that were submitted but not given orally. These papers represent a good overview of the state of the art in the deterministic solution of radiation transport problems for a variety of applications of current interest to the Radiation Shielding Information Center user community

  13. Understanding charge transport in molecular electronics.

    Science.gov (United States)

    Kushmerick, J J; Pollack, S K; Yang, J C; Naciri, J; Holt, D B; Ratner, M A; Shashidhar, R

    2003-12-01

    For molecular electronics to become a viable technology the factors that control charge transport across a metal-molecule-metal junction need to be elucidated. We use an experimentally simple crossed-wire tunnel junction to interrogate how factors such as metal-molecule coupling, molecular structure, and the choice of metal electrode influence the current-voltage characteristics of a molecular junction.

  14. 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...

  15. Methods of producing transportation fuel

    Science.gov (United States)

    Nair, Vijay [Katy, TX; Roes, Augustinus Wilhelmus Maria [Houston, TX; Cherrillo, Ralph Anthony [Houston, TX; Bauldreay, Joanna M [Chester, GB

    2011-12-27

    Systems, methods, and heaters for treating a subsurface formation are described herein. At least one method for producing transportation fuel is described herein. The method for producing transportation fuel may include providing formation fluid having a boiling range distribution between -5.degree. C. and 350.degree. C. from a subsurface in situ heat treatment process to a subsurface treatment facility. A liquid stream may be separated from the formation fluid. The separated liquid stream may be hydrotreated and then distilled to produce a distilled stream having a boiling range distribution between 150.degree. C. and 350.degree. C. The distilled liquid stream may be combined with one or more additives to produce transportation fuel.

  16. Electronic transport in torsional strained Weyl semimetals

    Science.gov (United States)

    Soto-Garrido, Rodrigo; Muñoz, Enrique

    2018-05-01

    In a recent paper (Muñoz and Soto-Garrido 2017 J. Phys.: Condens. Matter 29 445302) we have studied the effects of mechanical strain and magnetic field on the electronic transport properties in graphene. In this article we extended our work to Weyl semimetals (WSM). We show that although the WSM are 3D materials, most of the analysis done for graphene (2D material) can be carried out. In particular, we studied the electronic transport through a cylindrical region submitted to torsional strain and external magnetic field. We provide exact analytical expressions for the scattering cross section and the transmitted electronic current. In addition, we show the node-polarization effect on the current and propose a recipe to measure the torsion angle from transmission experiments.

  17. The effect of electron-electron interaction induced dephasing on electronic transport in graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Kahnoj, Sina Soleimani; Touski, Shoeib Babaee [School of Electrical and Computer Engineering, University of Tehran, P.O. Box 14395-515, Tehran (Iran, Islamic Republic of); Pourfath, Mahdi, E-mail: pourfath@ut.ac.ir, E-mail: pourfath@iue.tuwien.ac.at [School of Electrical and Computer Engineering, University of Tehran, P.O. Box 14395-515, Tehran (Iran, Islamic Republic of); Institute for Microelectronics, TU Wien, Gusshausstrasse 27–29/E360, 1040 Vienna (Austria)

    2014-09-08

    The effect of dephasing induced by electron-electron interaction on electronic transport in graphene nanoribbons is theoretically investigated. In the presence of disorder in graphene nanoribbons, wavefunction of electrons can set up standing waves along the channel and the conductance exponentially decreases with the ribbon's length. Employing the non-equilibrium Green's function formalism along with an accurate model for describing the dephasing induced by electron-electron interaction, we show that this kind of interaction prevents localization and transport of electrons remains in the diffusive regime where the conductance is inversely proportional to the ribbon's length.

  18. Electronic Transport in Two-Dimensional Materials

    Science.gov (United States)

    Sangwan, Vinod K.; Hersam, Mark C.

    2018-04-01

    Two-dimensional (2D) materials have captured the attention of the scientific community due to the wide range of unique properties at nanometer-scale thicknesses. While significant exploratory research in 2D materials has been achieved, the understanding of 2D electronic transport and carrier dynamics remains in a nascent stage. Furthermore, because prior review articles have provided general overviews of 2D materials or specifically focused on charge transport in graphene, here we instead highlight charge transport mechanisms in post-graphene 2D materials, with particular emphasis on transition metal dichalcogenides and black phosphorus. For these systems, we delineate the intricacies of electronic transport, including band structure control with thickness and external fields, valley polarization, scattering mechanisms, electrical contacts, and doping. In addition, electronic interactions between 2D materials are considered in the form of van der Waals heterojunctions and composite films. This review concludes with a perspective on the most promising future directions in this fast-evolving field.

  19. Fast electron transport in shaped solid targets

    International Nuclear Information System (INIS)

    Anle Lei; Cao, L.H.; He, X.T.; Zhang, W.Y.; Tanaka, K.A.; Kodama, R.; Mima, K.; Nakamura, T.; Normatsu, T.; Yu, W.

    2010-01-01

    Complete text of publication follows. The scheme of fast ignition fusion energy relies on the ultra-intense ultra-short (UIUS) laser energy transport into the compressed core plasma. One solution is to insert a hollow cone in the fuel shell to block the UIUS laser from the coronal plasma, thus allowing it to reach the core plasma. The cone not only can guide the UIUS laser to its tip, but can play important roles in the specific cone-in-shell target designed for FI. It was found in a PIC simulation that the cone can guide the fast electrons generated at the inner wall to propagate along the wall surface toward its tip, which would increase the energy density at the tip and might enhance the heating of the core plasma. Surface guiding of fast electrons with planar foil targets has been demonstrated experimentally. However, the guided fast electrons will mix the electrons generated ahead by the laser light with a planar target, and hence one cannot experimentally quantitatively validate the guide of the fast electrons. We investigate the cone guiding of fast electrons with an inverse cone target. We found a novel surface current of fast electrons propagating along the cone wall. The fast electrons generated at the planar outer tip of the inverse cone are guided and confined to propagate along the inverse cone wall to form a surface current by induced transient electric and magnetic fields associated with the current itself. Once departing from the source at the outer tip, this surface current of fast electrons is 'clean', neither experiencing the interacting laser light nor mixing fast electrons ahead, unlike those in cone or planar targets. This surface current in the inverse cone may explicitly give the capability of the guide of fast electron energy by the cone wall. The guiding and confinement of fast electrons is of important for fast ignition in inertial confinement fusion and several applications in high energy density science.

  20. Charge transport through DNA based electronic barriers

    Science.gov (United States)

    Patil, Sunil R.; Chawda, Vivek; Qi, Jianqing; Anantram, M. P.; Sinha, Niraj

    2018-05-01

    We report charge transport in electronic 'barriers' constructed by sequence engineering in DNA. Considering the ionization potentials of Thymine-Adenine (AT) and Guanine-Cytosine (GC) base pairs, we treat AT as 'barriers'. The effect of DNA conformation (A and B form) on charge transport is also investigated. Particularly, the effect of width of 'barriers' on hole transport is investigated. Density functional theory (DFT) calculations are performed on energy minimized DNA structures to obtain the electronic Hamiltonian. The quantum transport calculations are performed using the Landauer-Buttiker framework. Our main findings are contrary to previous studies. We find that a longer A-DNA with more AT base pairs can conduct better than shorter A-DNA with a smaller number of AT base pairs. We also find that some sequences of A-DNA can conduct better than a corresponding B-DNA with the same sequence. The counterions mediated charge transport and long range interactions are speculated to be responsible for counter-intuitive length and AT content dependence of conductance of A-DNA.

  1. Disorder and electronic transport in graphene

    International Nuclear Information System (INIS)

    Mucciolo, E R; Lewenkopf, C H

    2010-01-01

    In this review, we provide an account of the recent progress in understanding electronic transport in disordered graphene systems. Starting from a theoretical description that emphasizes the role played by band structure properties and lattice symmetries, we describe the nature of disorder in these systems and its relation to transport properties. While the focus is primarily on theoretical and conceptual aspects, connections to experiments are also included. Issues such as short- versus long-range disorder, localization (strong and weak), the carrier density dependence of the conductivity, and conductance fluctuations are considered and some open problems are pointed out. (topical review)

  2. Angular dependent transport of auroral electrons in the upper atmosphere

    International Nuclear Information System (INIS)

    Lummerzheim, D.; Rees, M.H.

    1989-01-01

    The transport of auroral electrons through the upper atmosphere is analyzed. The transport equation is solved using a discrete ordinate method including elastic and inelastic scattering of electrons resulting in changes of pitch angle, and degradation in energy as the electrons penetrate into the atmosphere. The transport equation is solved numerically for the electron intensity as a function of altitude, pitch angle, and energy. In situ measurements of the pitch angle and energy distribution of precipitating electrons over an auroral arc provide boundary conditions for the calculation. The electron spectra from various locations over the aurora present a variety of anisotropic pitch angle distributions and energy spectra. Good agreement is found between the observed backscattered electron energy spectra and model predictions. Differences occur at low energies (below 500 eV) in the structure of the pitch angle distribution. Model calculations were carried out with various different phase functions for elastic and inelastic collisions to attempt changing the angular scattering, but the observed pitch angle distributions remain unexplained. We suggest that mechanisms other than collisional scattering influence the angular distribution of auroral electrons at or below 300 km altitude in the low energy domain. (author)

  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. Sub-electron transport in single-electron-tunneling arrays

    Science.gov (United States)

    Kaplan, Daniel; Sverdlov, Viktor; Korotkov, Alexander; Likharev, Konstantin

    2002-03-01

    We have analyzed quasi-continuous charge transport in two-dimensional tunnel junction arrays with a special distribution of background charges, providing a complete suppression of Coulomb blockade thresholds of tunneling between any pair of islands. Numerical simulations show that at low currents the dc I-V curve is indeed linear, while the shot noise is strongly suppressed and approaches 1/N of the Schottky value (where N is the array length). Thus both conditions of quasi-continuous transport, formulated earlier by Matsuoka and Likharev (Phys. Rev. B, v57, 15613, 1998), are satisfied. At higher fields the electron-hole pair production begins, and shot noise grows sharply. At higher voltages still, the array enters the "plasma" regime (with nearly balanced number of electrons and holes) and the Fano factor drops to 1/N once again. We have studied the resulting shot noise peak in detail, and concluded that its physics is close to that of critical opalescence.

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

    KAUST Repository

    Fadlallah, Mohamed M.; Eckern, Ulrich; Schwingenschlö gl, Udo

    2016-01-01

    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

  6. Method of transporting fuel assemblies

    International Nuclear Information System (INIS)

    Okada, Katsutoshi.

    1979-01-01

    Purpose: To enable safety transportation of fuel assemblies for FBR type reactors by surrounding each of fuel elements in a wrapper tube by a rubbery, hollow cylindrical container and by sealing medium such as air to the inside of the container. Method: A fuel element is contained in a hollow cylindrical rubber-like tube. The fuel element has an upper end plug, a lower end plug and a wire spirally wound around the outer periphery. Upon transportation of the fuel assemblies, each of the fuel elements is covered with the container and arranged in the wrapper tube and then the fuel assemblies are assembled. Then, medium such as air is sealed for each of the fuel elements by way of an opening and then the opening is tightly closed. Before loading the transported fuel assemblies in the reactor, the medium is discharged through the opening and the container is completely extracted and removed from the inside of the wrapper tube. (Seki, T.)

  7. Electronic transport in methylated fragments of DNA

    International Nuclear Information System (INIS)

    Almeida, M. L. de; 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.; Moura, F. A. B. F. de; Lyra, M. L.

    2015-01-01

    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

  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. Coupled electron/photon transport in static external magnetic fields

    International Nuclear Information System (INIS)

    Halbleib, J.A. Sr.; Vandevender, W.H.

    A model is presented which describes coupled electron/photon transport in the presence of static magnetic fields of arbitrary spatial dependence. The method combines state-of-the-art condensed-history electron collisional Monte Carlo and single-scattering photon Monte Carlo, including electron energy-loss straggling and the production and transport of all generations of secondaries, with numerical field integration via the best available variable-step-size Runge-Kutta-Fehlberg or variable-order/variable-step-size Adams PECE differential equation solvers. A three-dimensional cartesian system is employed in the description of particle trajectories. Although the present model is limited to multilayer material configurations, extension to more complex material geometries should not be difficult. Among the more important options are (1) a feature which permits the neglect of field effects in regions where transport is collision dominated and (2) a method for describing the transport in variable-density media where electron energies and material densities are sufficiently low that the density effect on electronic stopping powers may be neglected. (U.S.)

  10. Electron stopping powers for transport calculations

    International Nuclear Information System (INIS)

    Berger, M.J.

    1988-01-01

    The reliability of radiation transport calculations depends on the accuracy of the input cross sections. Therefore, it is essential to review and update the cross sections from time to time. Even though the main interest of the author's group at NBS is in transport calculations and their applications, the group spends almost as much time on the analysis and preparation of cross sections as on the development of transport codes. Stopping powers, photon attenuation coefficients, bremsstrahlung cross sections, and elastic-scattering cross sections in recent years have claimed attention. This chapter deals with electron stopping powers (with emphasis on collision stopping powers), and reviews the state of the art as reflected by Report 37 of the International Commission on Radiation Units and Measurements

  11. Nanoscale thermal transport: Theoretical method and application

    Science.gov (United States)

    Zeng, Yu-Jia; Liu, Yue-Yang; Zhou, Wu-Xing; Chen, Ke-Qiu

    2018-03-01

    With the size reduction of nanoscale electronic devices, the heat generated by the unit area in integrated circuits will be increasing exponentially, and consequently the thermal management in these devices is a very important issue. In addition, the heat generated by the electronic devices mostly diffuses to the air in the form of waste heat, which makes the thermoelectric energy conversion also an important issue for nowadays. In recent years, the thermal transport properties in nanoscale systems have attracted increasing attention in both experiments and theoretical calculations. In this review, we will discuss various theoretical simulation methods for investigating thermal transport properties and take a glance at several interesting thermal transport phenomena in nanoscale systems. Our emphasizes will lie on the advantage and limitation of calculational method, and the application of nanoscale thermal transport and thermoelectric property. Project supported by the Nation Key Research and Development Program of China (Grant No. 2017YFB0701602) and the National Natural Science Foundation of China (Grant No. 11674092).

  12. Methods for testing transport models

    International Nuclear Information System (INIS)

    Singer, C.; Cox, D.

    1993-01-01

    This report documents progress to date under a three-year contract for developing ''Methods for Testing Transport Models.'' The work described includes (1) choice of best methods for producing ''code emulators'' for analysis of very large global energy confinement databases, (2) recent applications of stratified regressions for treating individual measurement errors as well as calibration/modeling errors randomly distributed across various tokamaks, (3) Bayesian methods for utilizing prior information due to previous empirical and/or theoretical analyses, (4) extension of code emulator methodology to profile data, (5) application of nonlinear least squares estimators to simulation of profile data, (6) development of more sophisticated statistical methods for handling profile data, (7) acquisition of a much larger experimental database, and (8) extensive exploratory simulation work on a large variety of discharges using recently improved models for transport theories and boundary conditions. From all of this work, it has been possible to define a complete methodology for testing new sets of reference transport models against much larger multi-institutional databases

  13. 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

  14. 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.

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

    KAUST Repository

    Onwubiko, Ada; Yue, Wan; Jellett, Cameron; Xiao, Mingfei; Chen, Hung-Yang; Ravva, Mahesh Kumar; Hanifi, David A.; Knall, Astrid-Caroline; Purushothaman, Balaji; Nikolka, Mark; Flores, Jean-Charles; Salleo, Alberto; Bredas, Jean-Luc; Sirringhaus, Henning; Hayoz, Pascal; McCulloch, Iain

    2018-01-01

    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.

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

    Science.gov (United States)

    Onwubiko, Ada; Yue, Wan; Jellett, Cameron; Xiao, Mingfei; Chen, Hung-Yang; Ravva, Mahesh Kumar; Hanifi, David A; Knall, Astrid-Caroline; Purushothaman, Balaji; Nikolka, Mark; Flores, Jean-Charles; Salleo, Alberto; Bredas, Jean-Luc; Sirringhaus, Henning; Hayoz, Pascal; McCulloch, Iain

    2018-01-29

    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.

  17. Nonequilibrium statistical operator in hot-electron transport theory

    International Nuclear Information System (INIS)

    Xing, D.Y.; Liu, M.

    1991-09-01

    The Nonequilibrium Statistical Operator method developed by Zubarev is generalized and applied to the study of hot-electron transport in semiconductors. The steady-state balance equations for momentum and energy are derived to the lowest order in the electron-lattice coupling. We show that the derived balance equations are exactly the same as those obtained by Lei and Ting. This equivalence stems from the fact that to the linear order in the electron-lattice coupling, two statistical density matrices have identical effect when they are used to calculate the average value of a dynamical operator. The application to the steady-state and transient hot-electron transport in multivalley semiconductors is also discussed. (author). 28 refs, 1 fig

  18. Electron Transport Properties of Ge nanowires

    Science.gov (United States)

    Hanrath, Tobias; Khondaker, Saiful I.; Yao, Zhen; Korgel, Brian A.

    2003-03-01

    Electron Transport Properties of Ge nanowires Tobias Hanrath*, Saiful I. Khondaker, Zhen Yao, Brian A. Korgel* *Dept. of Chemical Engineering, Dept. of Physics, Texas Materials Institute, and Center for Nano- and Molecular Science and Technology University of Texas at Austin, Austin, Texas 78712-1062 e-mail: korgel@mail.che.utexas.edu Germanium (Ge) nanowires with diameters ranging from 6 to 50 nm and several micrometer in length were grown via a supercritical fluid-liquid-solid synthesis. Parallel electron energy loss spectroscopy (PEELS) was employed to study the band structure and electron density in the Ge nanowires. The observed increase in plasmon peak energy and peak width with decreasing nanowire diameter is attributed to quantum confinement effects. For electrical characterization, Ge nanowires were deposited onto a patterned Si/SiO2 substrate. E-beam lithography was then used to form electrode contacts to individual nanowires. The influence of nanowire diameter, surface chemistry and crystallographic defects on electron transport properties were investigated and the comparison of Ge nanowire conductivity with respect to bulk, intrinsic Ge will be presented.

  19. Analytic approach to auroral electron transport and energy degradation

    International Nuclear Information System (INIS)

    Stamnes, K.

    1980-01-01

    The interaction of a beam of auroral electrons with the atmosphere is described by the linear transport equation, encompassing discrete energy loss, multiple scattering, and secondary electrons. A solution to the transport equation provides the electron intensity as a function of altitude, pitch angle (with respect to the geomagnetic field) and energy. A multi-stream (discrete ordinate) approximation to the transport equation is developed. An analytic solution is obtained in this approximation. The computational scheme obtained by combining the present transport code with the energy degradation method of Swartz (1979) conserves energy identically. The theory provides a framework within which angular distributions can be easily calculated and interpreted. Thus, a detailed study of the angular distributions of 'non-absorbed' electrons (i.e., electrons that have lost just a small fraction of their incident energy) reveals a systematic variation with incident angle and energy, and with penetration depth. The present approach also gives simple yet accurate solutions in low order multi-stream approximations. The accuracy of the four-stream approximation is generally within a few per cent, whereas two-stream results for backscattered mean intensities and fluxes are accurate to within 10-15%. (author)

  20. 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...

  1. 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.

  2. Self-consistent electron transport in collisional plasmas

    International Nuclear Information System (INIS)

    Mason, R.J.

    1982-01-01

    A self-consistent scheme has been developed to model electron transport in evolving plasmas of arbitrary classical collisionality. The electrons and ions are treated as either multiple donor-cell fluids, or collisional particles-in-cell. Particle suprathermal electrons scatter off ions, and drag against fluid background thermal electrons. The background electrons undergo ion friction, thermal coupling, and bremsstrahlung. The components move in self-consistent advanced E-fields, obtained by the Implicit Moment Method, which permits Δt >> ω/sub p/ -1 and Δx >> lambda/sub D/ - offering a 10 2 - 10 3 -fold speed-up over older explicit techniques. The fluid description for the background plasma components permits the modeling of transport in systems spanning more than a 10 7 -fold change in density, and encompassing contiguous collisional and collisionless regions. Results are presented from application of the scheme to the modeling of CO 2 laser-generated suprathermal electron transport in expanding thin foils, and in multi-foil target configurations

  3. Identifying the molecular functions of electron transport proteins using radial basis function networks and biochemical properties.

    Science.gov (United States)

    Le, Nguyen-Quoc-Khanh; Nguyen, Trinh-Trung-Duong; Ou, Yu-Yen

    2017-05-01

    The electron transport proteins have an important role in storing and transferring electrons in cellular respiration, which is the most proficient process through which cells gather energy from consumed food. According to the molecular functions, the electron transport chain components could be formed with five complexes with several different electron carriers and functions. Therefore, identifying the molecular functions in the electron transport chain is vital for helping biologists understand the electron transport chain process and energy production in cells. This work includes two phases for discriminating electron transport proteins from transport proteins and classifying categories of five complexes in electron transport proteins. In the first phase, the performances from PSSM with AAIndex feature set were successful in identifying electron transport proteins in transport proteins with achieved sensitivity of 73.2%, specificity of 94.1%, and accuracy of 91.3%, with MCC of 0.64 for independent data set. With the second phase, our method can approach a precise model for identifying of five complexes with different molecular functions in electron transport proteins. The PSSM with AAIndex properties in five complexes achieved MCC of 0.51, 0.47, 0.42, 0.74, and 1.00 for independent data set, respectively. We suggest that our study could be a power model for determining new proteins that belongs into which molecular function of electron transport proteins. Copyright © 2017 Elsevier Inc. All rights reserved.

  4. Flux and reactive contributions to electron transport in methane

    International Nuclear Information System (INIS)

    Ness, K.F.; Nolan, A.M.

    2000-01-01

    A previously developed theoretical analysis (Nolan et al. 1997) is applied to the study of electron transport in methane for reduced electric fields in the range 1 to 1000 Td. The technique of analysis identifies the flux and reactive components of the measurable transport, without resort to the two-term approximation. A comparison of the results of the Monte Carlo method with those of a multiterm Boltzmann equation analysis (Ness and Robson 1986) shows good agreement. The sensitivity of the modelled electron transport to post-ionisation energy partitioning is studied by comparison of three ionisation energy partitioning regimes at moderate (300 Td) and high (1000 Td) values of the reduced electric field. Copyright (2000) CSIRO Australia

  5. 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.

  6. Low energy electron transport in furfural

    International Nuclear Information System (INIS)

    Lozano, A.I.; Garcia, G.; Krupa, K.; Ferreira da Silva, F.; Limao-Vieira, P.; Blanco, F.; Munoz, A.; Jones, D.B.; Brunger, M.J.

    2017-01-01

    The cyclic configuration of the furfural molecule is similar to the 5-membered ring structure constituting the sugar units of the DNA helix, hence its importance in biology. In this paper, 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

  7. Electronic transport properties of (fluorinated) metal phthalocyanine

    KAUST Repository

    Fadlallah, M M; Eckern, U; Romero, A H; Schwingenschlö gl, Udo

    2015-01-01

    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.

  8. Conditioner for a helically transported electron beam

    International Nuclear Information System (INIS)

    Wang, Changbiao.

    1992-05-01

    The kinetic theory is developed to investigate a conditioner for a helically transported electron beam. Linear expressions for axial velocity spread are derived. Numerical simulation is used to check the theoretical results and examine nonlinear aspects of the conditioning process. The results show that in the linear regime the action of the beam conditioner on a pulsed beam mainly depends on the phase at which the beam enters the conditioner and depends only slightly on the operating wavelength. In the nonlinear regime, however, the action of the conditioner strongly depends on the operating wavelength and only slightly upon the entrance phase. For a properly chosen operating wavelength, a little less than the electron's relativistic cyclotron wavelength, the conditioner can decrease the axial velocity spread of a pulsed beam down to less than one-third of its initial value

  9. 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.

  10. Methods of making transportation fuel

    Science.gov (United States)

    Roes, Augustinus Wilhelmus Maria [Houston, TX; Mo, Weijian [Sugar Land, TX; Muylle, Michel Serge Marie [Houston, TX; Mandema, Remco Hugo [Houston, TX; Nair, Vijay [Katy, TX

    2012-04-10

    A method for producing alkylated hydrocarbons is disclosed. Formation fluid is produced from a subsurface in situ heat treatment process. The formation fluid is separated to produce a liquid stream and a first gas stream. The first gas stream includes olefins. The liquid stream is fractionated to produce at least a second gas stream including hydrocarbons having a carbon number of at least 3. The first gas stream and the second gas stream are introduced into an alkylation unit to produce alkylated hydrocarbons. At least a portion of the olefins in the first gas stream enhance alkylation. The alkylated hydrocarbons may be blended with one or more components to produce transportation fuel.

  11. An outline review of numerical transport methods

    International Nuclear Information System (INIS)

    Budd, C.

    1981-01-01

    A brief review is presented of numerical methods for solving the neutron transport equation in the context of reactor physics. First the various forms of transport equation are given. Second, the various ways of classifying numerical transport methods are discussed. Finally each method (or class of methods) is outlined in turn. (U.K.)

  12. 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).

  13. Fabrication of undoped ZnO thin film via photosensitive sol–gel method and its applications for an electron transport layer of organic solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Luong, Chi Hieu [Department of Materials Science and Engineering and Graduate School of Energy Science and Technology, Chungnam National University, Yuseong-gu, Daejeon 305-764 (Korea, Republic of); Kim, Sarah [Central Research Division, LG Chem., Yuseong-gu, Daejeon 305-738 (Korea, Republic of); Surabhi, Srivathsava; Vo, Thanh Son; Lee, Kyung-Min; Yoon, Soon-Gil [Department of Materials Science and Engineering and Graduate School of Energy Science and Technology, Chungnam National University, Yuseong-gu, Daejeon 305-764 (Korea, Republic of); Jeong, Jun-Ho [Nanomechanical Systems Research Division, Korea Institute of Machinery and Materials, Yuseong-gu, Daejeon 305-343 (Korea, Republic of); Choi, Jun-Hyuk, E-mail: junhyuk@kimm.re.kr [Nanomechanical Systems Research Division, Korea Institute of Machinery and Materials, Yuseong-gu, Daejeon 305-343 (Korea, Republic of); Jeong, Jong-Ryul, E-mail: jrjeong@cnu.ac.kr [Department of Materials Science and Engineering and Graduate School of Energy Science and Technology, Chungnam National University, Yuseong-gu, Daejeon 305-764 (Korea, Republic of)

    2015-10-01

    Highlights: • Investigated the effect of the interfacial ZnO for ETL synthesized by photochemical reaction using photosensitive 2-nitrobenzaldehyde on the inverted P3HT:PCBM OSC. • The abrupt increase of grain size and surface roughness was observed as increasing the annealing temperature above 350 °C. • The sheet resistance abruptly decreased with increasing the annealing temperature above 350 °C. • Increase of surface roughness caused by the high annealing temperature could be detrimental to the OSCs characteristics due to a high contact resistance and a large leakage current. - Abstract: We have investigated ZnO thin films prepared via photochemical reaction as the electron transport layer (ETL) of inverted organic solar cells (OSCs). Morphological and electrical properties of the ZnO thin films prepared by the photosensitive ZnO sol were studied according to the annealing temperature and their effects on the performance of the inverted poly(3-hexylthiophene):phenyl-C61-butyric acid methyl ester (P3HT:PCBM) OSCs was characterized. It was found that the optimal annealing temperature of the ZnO thin films was 330 °C, and that devices with the ZnO ETL annealed at this temperature exhibited the largest short-circuit current density (J{sub sc}) of 9.39 mA/cm{sup 2}, as well as the highest power conversion efficiency (PCE) of 2.31%, which can be attributed to enhanced electron transport and interfacial properties. Devices containing ZnO films formed at optimal annealing condition exhibited an open circuit voltage (V{sub oc}) of 0.60 V and a fill factor (FF) of 41.0%. However, further increase of the annealing temperature led to degradation of the device performance, despite further improvements in electrical properties. We have found that marked increase in the surface roughness of the ZnO films occurred at temperatures above 350 °C which could be detrimental to the OSCs characteristics due to a high contact resistance and a large leakage current.

  14. Electron Transport through Porphyrin Molecular Junctions

    Science.gov (United States)

    Zhou, Qi

    The goal of this work is to study the properties that would affect the electron transport through a porphyrin molecular junction. This work contributes to the field of electron transport in molecular junctions in the following 3 aspects. First of all, by carrying out experiments comparing the conductance of the iron (III) porphyrin (protected) and the free base porphyrin (protected), it is confirmed that the molecular energy level broadening and shifting occurs for porphyrin molecules when coupled with the metal electrodes, and this level broadening and shifting plays an important role in the electron transport through molecular junctions. Secondly, by carrying out an in-situ deprotection of the acetyl-protected free base porphyrin molecules, it is found out that the presence of acetyl groups reduces the conductance. Thirdly, by incorporating the Matrix-assisted laser desorption/ionization (MALDI) spectrum and the in-situ deprotection prior to formation of molecular junctions, it allows a more precise understanding of the molecules involved in the formation of molecular junctions, and therefore allows an accurate analysis of the conductance histogram. The molecules are prepared by self-assembly and the junctions are formed using a Scanning Tunneling Microscopy (STM) molecular break junction technique. The porphyrin molecules are characterized by MALDI in solution before self-assembly to a gold/mica substrate. The self-assembled monolayers (SAMs) of porphyrins on gold are characterized by Ultraviolet-visible (UV-Vis) reflection spectroscopy to confirm that the molecules are attached to the substrate. The SAMs are then characterized by Angle-Resolved X-ray photoelectron spectroscopy (ARXPS) to determine the thickness and the average molecular orientation of the molecular layer. The electron transport is measured by conductance-displacement (G-S) experiments under a given bias (-0.4V). The conductance value of a single molecule is identified by a statistical analysis

  15. ECRH and electron heat transport in tokamaks

    International Nuclear Information System (INIS)

    Zou, X.L.; Giruzzi, G.; Dumont, R.J.

    2003-01-01

    It has been observed during the ECRH experiments in tokamaks that the shape of the electron temperature profile in stationary regimes is not very sensitive to the ECRH power deposition i.e. the temperature profile remains peaked at the center even though the ECRH power deposition is off-axis. Various models have been invoked for the interpretation of this profile resilience phenomenon: the inward heat pinch, the critical temperature gradient, the Self-Organized Criticality, etc. Except the pinch effect, all of these models need a specific form of the diffusivity in the heat transport equation. In this work, our approach is to solve a simplified time-dependent heat transport equation analytically in cylindrical geometry. The features of this analytical solution are analyzed, in particular the relationship between the temperature profile resilience and the Eigenmode of the physical system with respect to the heat transport phenomenon. Finally, applications of this analytical solution for the determination of the transport coefficient and the polarization of the EC waves are presented. It has been shown that the solution of the simplified transport equation in a finite cylinder is a Fourier-Bessel series. This series represents in fact a decomposition of the heat source in Eigenmode, which are characterized by the Bessel functions of order 0. The physical interpretation of the Eigenmodes is the following: when the heat source is given by a Bessel function of order 0, the temperature profile has exactly the same form as the source at every time. At the beginning of the power injection, the effectiveness of the temperature response is the same for each Eigenmode, and the response in temperature, having the same form as the source, is local. Conversely, in the later phase of the evolution, the effectiveness of the temperature response for each Eigenmode is different: the higher the order, the lower the effectiveness. In this case the response in temperature appears as

  16. 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

  17. Mitochondrial Electron Transport and Plant Stress

    DEFF Research Database (Denmark)

    Rasmusson, Allan G; Møller, Ian Max

    2011-01-01

    Due to the sessile nature of plants, it is crucial for their survival and growth that they can handle a constantly changing, and thus stressful, ambient environment by modifying their structure and metabolism. The central metabolism of plants is characterized by many alternative options...... for metabolic pathways, which allow a wide range of adjustments of metabolic processes in response to environmental variations. Many of the metabolic pathways in plants involve the processing of redox compounds and the use of adenylates. They converge at the mitochondrial electron transport chain (ETC) where...... redox compounds from carbon degradation are used for powering ATP synthesis. The standard ETC contains three sites of energy conservation in complexes I, III, and IV, which are in common with most other eukaryotes. However, the complexity of the plant metabolic system is mirrored in the ETC. In addition...

  18. Electronic transport study in PAMAM dendrimers

    International Nuclear Information System (INIS)

    Vieira, Nirton C.S.; Soares, Demetrio A.W.; Fernandes, Edson G.R.; Queiroz, Alvaro A.A. de

    2005-01-01

    Dendrimers are nanomaterials that have many potential applications in medicine, including diagnosis and therapeutic procedures. Dendrimers are isomolecular polymers, with a very well controlled architecture and a thousand times smaller than cells. Dendrimers containing biocatalysts are of great interest for clinical applications in biosensors because of the way in which their chemical and electric conduction mechanism can be tailored. In this work, the polyamidoamine dendrimer (PAMAM) of generation 4 was synthesized by divergent route and characterized by NMR spectroscopy. The electronic transport properties of PAMAM in a metal-polymer type heterojunction were studied. The electrical conduction mechanism of PAMAM studied in the temperature range of 291-323 K indicates a conduction mechanism thermally activated. (author)

  19. Vibronic coupling effect on the electron transport through molecules

    Science.gov (United States)

    Tsukada, Masaru; Mitsutake, Kunihiro

    2007-03-01

    Electron transport through molecular bridges or molecular layers connected to nano-electrodes is determined by the combination of coherent and dissipative processes, controlled by the electron-vibron coupling, transfer integrals between the molecular orbitals, applied electric field and temperature. We propose a novel theoretical approach, which combines ab initio molecular orbital method with analytical many-boson model. As a case study, the long chain model of the thiophene oligomer is solved by a variation approach. Mixed states of moderately extended molecular orbital states mediated and localised by dress of vibron cloud are found as eigen-states. All the excited states accompanied by multiple quanta of vibration can be solved, and the overall carrier transport properties including the conductance, mobility, dissipation spectra are analyzed by solving the master equation with the transition rates estimated by the golden rule. We clarify obtained in a uniform systematic way, how the transport mode changes from a dominantly coherent transport to the dissipative hopping transport.

  20. Electron scattering and transport in liquid argon

    International Nuclear Information System (INIS)

    Boyle, G. J.; Cocks, D. G.; White, R. D.; McEachran, R. P.

    2015-01-01

    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

  1. 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.

  2. Temperature dependence of electronic transport property in ferroelectric polymer films

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, X.L.; Wang, J.L., E-mail: jlwang@mail.sitp.ac.cn; Tian, B.B.; Liu, B.L.; Zou, Y.H.; Wang, X.D.; Sun, S.; Sun, J.L., E-mail: jlsun@mail.sitp.ac.cn; Meng, X.J.; Chu, J.H.

    2014-10-15

    Highlights: • The ferroelectric polymer was fabricated by Langmuir–Blodgett method. • The electrons as the dominant injected carrier were conformed in the ferroelectric polymer films. • The leakage current conduction mechanisms in ferroelectric polymer were investigated. - Abstract: The leakage current mechanism of ferroelectric copolymer of polyvinylidene fluoride with trifluoroethylene prepared by Langmuir–Blodgett was investigated in the temperature range from 100 K to 350 K. The electron as the dominant injected carrier was observed in the ferroelectric copolymer films. The transport mechanisms in copolymer strongly depend on the temperature and applied voltage. From 100 K to 200 K, Schottky emission dominates the conduction. With temperature increasing, the Frenkel–Poole emission instead of the Schottky emission to conduct the carrier transport. When the temperature gets to 260 K, the leakage current becomes independent of temperature, and the space charge limited current conduction was observed.

  3. Electronic Monitoring Of Storage And Transport Temperatures Of ...

    African Journals Online (AJOL)

    Electronic Monitoring Of Storage And Transport Temperatures Of Thermostable Newcastle ... 22) were monitored during storage and transport from vaccine production laboratory in Temeke, Dar es ... EMAIL FULL TEXT EMAIL FULL TEXT

  4. Replacing Electron Transport Cofactors with Hydrogenases

    KAUST Repository

    Laamarti, Rkia

    2016-01-01

    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

  5. Power Electronics Packaging Reliability | Transportation Research | NREL

    Science.gov (United States)

    Packaging Reliability Power Electronics Packaging Reliability A photo of a piece of power electronics laboratory equipment. NREL power electronics packaging reliability research investigates the electronics packaging around a semiconductor switching device determines the electrical, thermal, and

  6. Electronic structure and charge transport in nonstoichiometric tantalum oxide

    Science.gov (United States)

    Perevalov, T. V.; Gritsenko, V. A.; Gismatulin, A. A.; Voronkovskii, V. A.; Gerasimova, A. K.; Aliev, V. Sh; Prosvirin, I. A.

    2018-06-01

    The atomic and electronic structure of nonstoichiometric oxygen-deficient tantalum oxide TaO x<2.5 grown by ion beam sputtering deposition was studied. The TaO x film content was analyzed by x-ray photoelectron spectroscopy and by quantum-chemistry simulation. TaO x is composed of Ta2O5, metallic tantalum clusters and tantalum suboxides. A method for evaluating the stoichiometry parameter of TaO x from the comparison of experimental and theoretical photoelectron valence band spectra is proposed. The charge transport properties of TaO x were experimentally studied and the transport mechanism was quantitatively analyzed with four theoretical dielectric conductivity models. It was found that the charge transport in almost stoichiometric and nonstoichiometric tantalum oxide can be consistently described by the phonon-assisted tunneling between traps.

  7. Electron and phonon drag in thermoelectric transport through coherent molecular conductors

    DEFF Research Database (Denmark)

    Lü, Jing-Tao; Wang, Jian-Sheng; Hedegård, Per

    2016-01-01

    We study thermoelectric transport through a coherent molecular conductor connected to two electron and two phonon baths using the nonequilibrium Green's function method. We focus on the mutual drag between electron and phonon transport as a result of ‘momentum’ transfer, which happens only when...

  8. 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.

  9. Multidimensional electron-photon transport with standard discrete ordinates codes

    International Nuclear Information System (INIS)

    Drumm, C.R.

    1997-01-01

    A method is described for generating electron cross sections that are comparable with standard discrete ordinates codes without modification. There are many advantages of using an established discrete ordinates solver, e.g. immediately available adjoint capability. Coupled electron-photon transport capability is needed for many applications, including the modeling of the response of electronics components to space and man-made radiation environments. The cross sections have been successfully used in the DORT, TWODANT and TORT discrete ordinates codes. The cross sections are shown to provide accurate and efficient solutions to certain multidimensional electron-photon transport problems. The key to the method is a simultaneous solution of the continuous-slowing-down (CSD) portion and elastic-scattering portion of the scattering source by the Goudsmit-Saunderson theory. The resulting multigroup-Legendre cross sections are much smaller than the true scattering cross sections that they represent. Under certain conditions, the cross sections are guaranteed positive and converge with a low-order Legendre expansion

  10. Multidimensional electron-photon transport with standard discrete ordinates codes

    International Nuclear Information System (INIS)

    Drumm, C.R.

    1997-01-01

    A method is described for generating electron cross sections that are compatible with standard discrete ordinates codes without modification. There are many advantages to using an established discrete ordinates solver, e.g., immediately available adjoint capability. Coupled electron-photon transport capability is needed for many applications, including the modeling of the response of electronics components to space and synthetic radiation environments. The cross sections have been successfully used in the DORT, TWODANT, and TORT discrete ordinates codes. The cross sections are shown to provide accurate and efficient solutions to certain multidimensional electron-photon transport problems. The key to the method is a simultaneous solution of the continuous-slowing-down and elastic-scattering portions of the scattering source by the Goudsmit-Saunderson theory. The resulting multigroup-Legendre cross sections are much smaller than the true scattering cross sections that they represent. Under certain conditions, the cross sections are guaranteed positive and converge with a low-order Legendre expansion

  11. Electronic transport in graphene; Elektronischer Transport in Graphen

    Energy Technology Data Exchange (ETDEWEB)

    Lohmann, Timm

    2010-06-08

    In 2004 graphene, a monolayer of carbon atoms, has been isolated as the first real two-dimensional solid by the group of A. Geim at the University of Manchester. Graphene's properties have been theoretically investigated since the 1950s. Until the successful preparation by Geim et al., graphene was suspected to be unstable under ambient conditions above 0 K (Mermin-Wagner theorem). Its two dimensionality and hexagonal lattice symmetry cause interesting novel properties and effects. At experimentally relevant energies, graphene has a linear band structure and charge carrier dynamics must be treated using Dirac's equation. Therefore charge carriers in graphene are called ''Dirac fermions''. Beside exotic effects like ''Klein tunneling'' an unconventional quantum Hall effect (QHE) can be observed with a Hall conductance quantized in units of 2e{sup 2}/h, 6e{sup 2}/h, 10e{sup 2}/h, 14e{sup 2}/h. As a starting point for in-depth transport measurements the processing of graphene field effect transistors (GFETs) has been developed and optimized, based on the pioneering work by Novoselov et al. The optimized process provides samples with carrier mobilities up to 16000 cm{sup 2}/Vs and a well defined Hall geometry. These samples are used to investigate external influences on the electronic properties of graphene. Among those influences molecular adsorbates are responsible for various effects of freshly prepared graphene samples e.g. an intrinsic p-doping, a mobility asymmetry of electrons and holes, the so called ''minimal conductivity'' and a field effect hysteresis at room temperature. In collaboration with the group of A. Yacoby (Harvard) density fluctuations in the vicinity of the Dirac point (''electron-hole puddles'') could be observed using a scanning single electron transistor (SSET). These fluctuations might be one reason for the ''minimal conductivity'' at

  12. Discrete-ordinates electron transport calculations using standard neutron transport codes

    International Nuclear Information System (INIS)

    Morel, J.E.

    1979-01-01

    The primary purpose of this work was to develop a method for using standard neutron transport codes to perform electron transport calculations. The method is to develop approximate electron cross sections which are sufficiently well-behaved to be treated with standard S/sub n/ methods, but which nonetheless yield flux solutions which are very similar to the exact solutions. The main advantage of this approach is that, once the approximate cross sections are constructed, their multigroup Legendre expansion coefficients can be calculated and input to any standard S/sub n/ code. Discrete-ordinates calculations were performed to determine the accuracy of the flux solutions for problems corresponding to 1.0-MeV electrons incident upon slabs of aluminum and gold. All S/sub n/ calculations were compared with similar calculations performed with an electron Monte Carlo code, considered to be exact. In all cases, the discrete-ordinates solutions for integral flux quantities (i.e., scalar flux, energy deposition profiles, etc.) are generally in agreement with the Monte Carlo solutions to within approximately 5% or less. The central conclusion is that integral electron flux quantities can be efficiently and accurately calculated using standard S/sub n/ codes in conjunction with approximate cross sections. Furthermore, if group structures and approximate cross section construction are optimized, accurate differential flux energy spectra may also be obtainable without having to use an inordinately large number of energy groups. 1 figure

  13. Theoretical modeling of electronic transport in molecular devices

    Science.gov (United States)

    Piccinin, Simone

    In this thesis a novel approach for simulating electronic transport in nanoscale structures is introduced. We consider an open quantum system (the electrons of structure) accelerated by an external electromotive force and dissipating energy through inelastic scattering with a heat bath (phonons) acting on the electrons. This method can be regarded as a quantum-mechanical extension of the semi-classical Boltzmann transport equation. We use periodic boundary conditions and employ Density Functional Theory to recast the many-particle problem in an effective single-particle mean-field problem. By explicitly treating the dissipation in the electrodes, the behavior of the potential is an outcome of our method, at variance with the scattering approaches based on the Landauer formalism. We study the self-consistent steady-state solution, analyzing the out-of-equilibrium electron distribution, the electrical characteristics, the behavior of the self-consistent potential and the density of states of the system. We apply the method to the study of electronic transport in several molecular devices, consisting of small organic molecules or atomic wires sandwiched between gold surfaces. For gold wires we recover the experimental evidence that transport in short wires is ballistic, independent of the length of the wire and with conductance of one quantum. In benzene-1,4-dithiol we find that the delocalization of the frontier orbitals of the molecule is responsible for the high value of conductance and that, by inserting methylene groups to decouple the sulfur atoms from the carbon ring, the current is reduced, in agreement with the experimental measurements. We study the effect a geometrical distortion in a molecular device, namely the relative rotation of the carbon rings in a biphenyl-4,4'-dithiol molecule. We find that the reduced coupling between pi orbitals of the rings induced by the rotation leads to a reduction of the conductance and that this behavior is captured by a

  14. 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

  15. Electronic Structure and Transport in Solids from First Principles

    Science.gov (United States)

    Mustafa, Jamal Ibrahim

    The focus of this dissertation is the determination of the electronic structure and trans- port properties of solids. We first review some of the theory and computational methodology used in the calculation of electronic structure and materials properties. Throughout the dissertation, we make extensive use of state-of-the-art software packages that implement density functional theory, density functional perturbation theory, and the GW approximation, in addition to specialized methods for interpolating matrix elements for extremely accurate results. The first application of the computational framework introduced is the determination of band offsets in semiconductor heterojunctions using a theory of quantum dipoles at the interface. This method is applied to the case of heterojunction formed between a new metastable phase of silicon, with a rhombohedral structure, and cubic silicon. Next, we introduce a novel method for the construction of localized Wannier functions, which we have named the optimized projection functions method (OPFM). We illustrate the method on a variety of systems and find that it can reliably construct localized Wannier functions with minimal user intervention. We further develop the OPFM to investigate a class of materials called topological insulators, which are insulating in the bulk but have conductive surface states. These properties are a result of a nontrivial topology in their band structure, which has interesting effects on the character of the Wannier functions. In the last sections of the main text, the noble metals are studied in great detail, including their electronic properties and carrier dynamics. In particular, we investigate, the Fermi surface properties of the noble metals, specifically electron-phonon scattering lifetimes, and subsequently the transport properties determined by carriers on the Fermi surface. To achieve this, a novel sampling technique is developed, with wide applicability to transport calculations

  16. Melatonin and the electron transport chain.

    Science.gov (United States)

    Hardeland, Rüdiger

    2017-11-01

    Melatonin protects the electron transport chain (ETC) in multiple ways. It reduces levels of ·NO by downregulating inducible and inhibiting neuronal nitric oxide synthases (iNOS, nNOS), thereby preventing excessive levels of peroxynitrite. Both ·NO and peroxynitrite-derived free radicals, such as ·NO 2 , hydroxyl (·OH) and carbonate radicals (CO 3 · - ) cause blockades or bottlenecks in the ETC, by ·NO binding to irons, protein nitrosation, nitration and oxidation, changes that lead to electron overflow or even backflow and, thus, increased formation of superoxide anions (O 2 · - ). Melatonin improves the intramitochondrial antioxidative defense by enhancing reduced glutathione levels and inducing glutathione peroxidase and Mn-superoxide dismutase (Mn-SOD) in the matrix and Cu,Zn-SOD in the intermembrane space. An additional action concerns the inhibition of cardiolipin peroxidation. This oxidative change in the membrane does not only initiate apoptosis or mitophagy, as usually considered, but also seems to occur at low rate, e.g., in aging, and impairs the structural integrity of Complexes III and IV. Moreover, elevated levels of melatonin inhibit the opening of the mitochondrial permeability transition pore and shorten its duration. Additionally, high-affinity binding sites in mitochondria have been described. The assumption of direct binding to the amphipathic ramp of Complex I would require further substantiation. The mitochondrial presence of the melatonin receptor MT 1 offers the possibility that melatonin acts via an inhibitory G protein, soluble adenylyl cyclase, decreased cAMP and lowered protein kinase A activity, a signaling pathway shown to reduce Complex I activity in the case of a mitochondrial cannabinoid receptor.

  17. Electron transport in gold colloidal nanoparticle-based strain gauges

    Science.gov (United States)

    Moreira, Helena; Grisolia, Jérémie; Sangeetha, Neralagatta M.; Decorde, Nicolas; Farcau, Cosmin; Viallet, Benoit; Chen, Ke; Viau, Guillaume; Ressier, Laurence

    2013-03-01

    A systematic approach for understanding the electron transport mechanisms in resistive strain gauges based on assemblies of gold colloidal nanoparticles (NPs) protected by organic ligands is described. The strain gauges were fabricated from parallel micrometer wide wires made of 14 nm gold (Au) colloidal NPs on polyethylene terephthalate substrates, elaborated by convective self-assembly. Electron transport in such devices occurs by inter-particle electron tunneling through the tunnel barrier imposed by the organic ligands protecting the NPs. This tunnel barrier was varied by changing the nature of organic ligands coating the nanoparticles: citrate (CIT), phosphines (BSPP, TDSP) and thiols (MPA, MUDA). Electro-mechanical tests indicate that only the gold NPs protected by phosphine and thiol ligands yield high gauge sensitivity. Temperature-dependent resistance measurements are explained using the ‘regular island array model’ that extracts transport parameters, i.e., the tunneling decay constant β and the Coulomb charging energy EC. This reveals that the Au@CIT nanoparticle assemblies exhibit a behavior characteristic of a strong-coupling regime, whereas those of Au@BSPP, Au@TDSP, Au@MPA and Au@MUDA nanoparticles manifest a weak-coupling regime. A comparison of the parameters extracted from the two methods indicates that the most sensitive gauges in the weak-coupling regime feature the highest β. Moreover, the EC values of these 14 nm NPs cannot be neglected in determining the β values.

  18. Numerical shoves and countershoves in electron transport calculations

    International Nuclear Information System (INIS)

    Filippone, W.L.

    1986-01-01

    The justification for applying the relatively complex (compared to S/sub n/) streaming ray (SR) algorithm to electron transport problems is its potential for doing rapid and accurate calculations. Because of the Lagrangian treatment of the cell-uncollided electrons, the only significant sources of error are the numerical treatment of the scattering kernel and the spatial differencing scheme used for the cell-collided electrons. Considerable progress has been made in reducing the former source of error. If one is willing to pay the price, the latter source of error can be reduced to any desired level by refining the mesh size or by using high-order differencing schemes. Here the method of numerical shoves and countershoves is introduced, which reduces spatial differencing errors using relatively little additional computational effort

  19. Energy-filtered cold electron transport at room temperature.

    Science.gov (United States)

    Bhadrachalam, Pradeep; Subramanian, Ramkumar; Ray, Vishva; Ma, Liang-Chieh; Wang, Weichao; Kim, Jiyoung; Cho, Kyeongjae; Koh, Seong Jin

    2014-09-10

    Fermi-Dirac electron thermal excitation is an intrinsic phenomenon that limits functionality of various electron systems. Efforts to manipulate electron thermal excitation have been successful when the entire system is cooled to cryogenic temperatures, typically distribution corresponds to an effective electron temperature of ~45 K, can be transported throughout device components without external cooling. This is accomplished using a discrete level of a quantum well, which filters out thermally excited electrons and permits only energy-suppressed electrons to participate in electron transport. The quantum well (~2 nm of Cr2O3) is formed between source (Cr) and tunnelling barrier (SiO2) in a double-barrier-tunnelling-junction structure having a quantum dot as the central island. Cold electron transport is detected from extremely narrow differential conductance peaks in electron tunnelling through CdSe quantum dots, with full widths at half maximum of only ~15 mV at room temperature.

  20. Power Electronics and Electric Machines Facilities | Transportation

    Science.gov (United States)

    Research | NREL Facilities Power Electronics and Electric Machines Facilities NREL's power electronics and electric machines thermal management experimentation facilities feature a wide range of four researchers in discussion around a piece of laboratory equipment. Power electronics researchers

  1. Electron transport through a diatomic molecule

    International Nuclear Information System (INIS)

    Imran, Muhammad

    2014-01-01

    Electron transport through a diatomic molecular tunnel junction shows wave like interference phenomenon. By using Keldysh non-equilibrium Green's function (NEGF) theory, we have explicitly presented current and differential conductance calculation for a diatomic molecular and two isolated atoms (two atoms having zero hybridization between their energy orbitals) tunnel junctions. In case of a diatomic molecular tunnel junction, Green's function propagators entering into current and differential conductance formula interfere constructively for a molecular anti-bonding state and destructively for bonding state. Consequently, conductance through a molecular bonding state is suppressed, and to conserve current, conductance through anti-bonding state is enhanced. Therefore, current steps and differential conductance peaks amplitude show asymmetric correspondence between molecular bonding and anti-bonding states. Interestingly, for a diatomic molecule, comprising of two atoms of same energy level, these propagators interfere completely destructively for molecular bonding state and constructively for molecular anti-bonding state. Hence under such condition, a single step or a single peak is shown up in current versus voltage or differential conductance versus voltage studies.

  2. 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

  3. Electronic transport in narrow-gap semiconductor nanowires

    International Nuclear Information System (INIS)

    Bloemers, Christian

    2012-01-01

    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

  4. Electron transport and improved confinement on Tore Supra

    International Nuclear Information System (INIS)

    Hoang, G.T.; Bourdelle, C.; Garbet, X.; Aniel, T.; Giruzzi, G.; Ottaviani, M.; Horton, W.; Zhu, P.; Budny, R.V.

    2001-01-01

    Magnetic shear is found to play an important role for triggering various improved confinement regimes through the electron channel. A wide database of hot electron plasmas (T e >2T i ) heated by fast wave electron heating (FWEH) is analyzed for electron thermal transport. A critical gradient is clearly observed. It is found that the critical gradient linearly increases with the ratio between local magnetic shear (s) and safety factor (q). The Horton model, based on the electromagnetic turbulence driven by the electron temperature gradient (ETG) mode, is found to be a good candidate for electron transport modeling. (author)

  5. A computer code package for electron transport Monte Carlo simulation

    International Nuclear Information System (INIS)

    Popescu, Lucretiu M.

    1999-01-01

    A computer code package was developed for solving various electron transport problems by Monte Carlo simulation. It is based on condensed history Monte Carlo algorithm. In order to get reliable results over wide ranges of electron energies and target atomic numbers, specific techniques of electron transport were implemented such as: Moliere multiscatter angular distributions, Blunck-Leisegang multiscatter energy distribution, sampling of electron-electron and Bremsstrahlung individual interactions. Path-length and lateral displacement corrections algorithms and the module for computing collision, radiative and total restricted stopping powers and ranges of electrons are also included. Comparisons of simulation results with experimental measurements are finally presented. (author)

  6. Power Electronics Thermal Management | Transportation Research | NREL

    Science.gov (United States)

    Power Electronics Thermal Management Power Electronics Thermal Management A photo of water boiling in liquid cooling lab equipment. Power electronics thermal management research aims to help lower the investigates and develops thermal management strategies for power electronics systems that use wide-bandgap

  7. Nonlinear transport behavior of low dimensional electron systems

    Science.gov (United States)

    Zhang, Jingqiao

    is a result of a nontrivial distribution function of the electrons induced by the DC electric field. We compare our results with a theory proposed recently. The comparison allows us to find the quantum scattering time of 2D electron gas at high temperatures, in a regime, where previous methods were not successful. In addition, we observed a zero differential resistance state (ZDRS) in response to a direct current above a threshold value I > Ith applied to a two-dimensional system of electrons at low temperatures in a strong magnetic field. Entry into the ZDRS, which is not observable above several Kelvins, is accompanied by a sharp dip in the differential resistance. Additional analysis reveals instability of the electrons for I > Ith and an inhomogeneous, non-stationary pattern of the electric current. We suggest that the dominant mechanism leading to the new electron state is the redistribution of electrons in energy space induced by the direct current. Finally, we present the results of rectification of microwave radiation generated by an asymmetric, ballistic dot at different frequencies (1-40GHz), temperatures (0.3K-6K) and magnetic fields. A strong reduction of the microwave rectification is found in magnetic fields at which the cyclotron radius of electron orbits at the Fermi level is smaller than the size of the dot. With respect to the magnetic field, both symmetric and anti-symmetric contributions to the directed transport are presented in this thesis. The symmetric part of the rectified voltage changes significantly with microwave frequency o at otauf ≥ 1, where tau f is the time of a ballistic electron flight across the dot. The results lead consistently toward the ballistic origin of the effect, and can be explained by the strong nonlocal electron response to the microwave electric field, which affects both the speed and the direction of the electron motion inside the dot.

  8. Nonequilibrium Transport and the Bernoulli Effect of Electrons in a Two-Dimensional Electron Gas

    Science.gov (United States)

    Kaya, Ismet I.

    2013-02-01

    Nonequilibrium transport of charged carriers in a two-dimensional electron gas is summarized from an experimental point of view. The transport regime in which the electron-electron interactions are enhanced at high bias leads to a range of striking effects in a two-dimensional electron gas. This regime of transport is quite different than the ballistic transport in which particles propagate coherently with no intercarrier energy transfer and the diffusive transport in which the momentum of the electron system is lost with the involvement of the phonons. Quite a few hydrodynamic phenomena observed in classical gasses have the electrical analogs in the current flow. When intercarrier scattering events dominate the transport, the momentum sharing via narrow angle scattering among the hot and cold electrons lead to negative resistance and electron pumping which can be viewed as the analog of the Bernoulli-Venturi effect observed classical gasses. The recent experimental findings and the background work in the field are reviewed.

  9. Scanning probe methods applied to molecular electronics

    Energy Technology Data Exchange (ETDEWEB)

    Pavlicek, Niko

    2013-08-01

    Scanning probe methods on insulating films offer a rich toolbox to study electronic, structural and spin properties of individual molecules. This work discusses three issues in the field of molecular and organic electronics. An STM head to be operated in high magnetic fields has been designed and built up. The STM head is very compact and rigid relying on a robust coarse approach mechanism. This will facilitate investigations of the spin properties of individual molecules in the future. Combined STM/AFM studies revealed a reversible molecular switch based on two stable configurations of DBTH molecules on ultrathin NaCl films. AFM experiments visualize the molecular structure in both states. Our experiments allowed to unambiguously determine the pathway of the switch. Finally, tunneling into and out of the frontier molecular orbitals of pentacene molecules has been investigated on different insulating films. These experiments show that the local symmetry of initial and final electron wave function are decisive for the ratio between elastic and vibration-assisted tunneling. The results can be generalized to electron transport in organic materials.

  10. Hybrid diffusion–transport spatial homogenization method

    International Nuclear Information System (INIS)

    Kooreman, Gabriel; Rahnema, Farzad

    2014-01-01

    Highlights: • A new hybrid diffusion–transport homogenization method. • An extension of the consistent spatial homogenization (CSH) transport method. • Auxiliary cross section makes homogenized diffusion consistent with heterogeneous diffusion. • An on-the-fly re-homogenization in transport. • The method is faster than fine-mesh transport by 6–8 times. - Abstract: A new hybrid diffusion–transport homogenization method has been developed by extending the consistent spatial homogenization (CSH) transport method to include diffusion theory. As in the CSH method, an “auxiliary cross section” term is introduced into the source term, making the resulting homogenized diffusion equation consistent with its heterogeneous counterpart. The method then utilizes an on-the-fly re-homogenization in transport theory at the assembly level in order to correct for core environment effects on the homogenized cross sections and the auxiliary cross section. The method has been derived in general geometry and tested in a 1-D boiling water reactor (BWR) core benchmark problem for both controlled and uncontrolled configurations. The method has been shown to converge to the reference solution with less than 1.7% average flux error in less than one third the computational time as the CSH method – 6 to 8 times faster than fine-mesh transport

  11. Magnetic turbulent electron transport in a reversed field pinch

    International Nuclear Information System (INIS)

    Schoenberg, K.; Moses, R.

    1990-01-01

    A model of magnetic turbulent electron transport is presented. The model, based on the thermal conduction theory of Rechester and Rosenbluth, entails a Boltzmann description of electron dynamics in the long mean-free-path limit and quantitatively describes the salient features of superthermal electron measurements in the RFP edge plasma. Included are predictions of the mean superthermal electron energy, current density, and power flux asymmetry. A discussion of the transport model, the assumptions implicit in the model, and the relevance of this work to more general issue of magnetic turbulent transport in toroidal systems is presented. 32 refs., 3 figs

  12. Electron transport chain in a thermotolerant yeast.

    Science.gov (United States)

    Mejía-Barajas, Jorge A; Martínez-Mora, José A; Salgado-Garciglia, Rafael; Noriega-Cisneros, Ruth; Ortiz-Avila, Omar; Cortés-Rojo, Christian; Saavedra-Molina, Alfredo

    2017-04-01

    Yeasts capable of growing and surviving at high temperatures are regarded as thermotolerant. For appropriate functioning of cellular processes and cell survival, the maintenance of an optimal redox state is critical of reducing and oxidizing species. We studied mitochondrial functions of the thermotolerant Kluyveromyces marxianus SLP1 and the mesophilic OFF1 yeasts, through the evaluation of its mitochondrial membrane potential (ΔΨ m ), ATPase activity, electron transport chain (ETC) activities, alternative oxidase activity, lipid peroxidation. Mitochondrial membrane potential and the cytoplasmic free Ca 2+ ions (Ca 2+ cyt) increased in the SLP1 yeast when exposed to high temperature, compared with the mesophilic yeast OFF1. ATPase activity in the mesophilic yeast diminished 80% when exposed to 40° while the thermotolerant SLP1 showed no change, despite an increase in the mitochondrial lipid peroxidation. The SLP1 thermotolerant yeast exposed to high temperature showed a diminution of 33% of the oxygen consumption in state 4. The uncoupled state 3 of oxygen consumption did not change in the mesophilic yeast when it had an increase of temperature, whereas in the thermotolerant SLP1 yeast resulted in an increase of 2.5 times when yeast were grown at 30 o , while a decrease of 51% was observed when it was exposed to high temperature. The activities of the ETC complexes were diminished in the SLP1 when exposed to high temperature, but also it was distinguished an alternative oxidase activity. Our results suggest that the mitochondria state, particularly ETC state, is an important characteristic of the thermotolerance of the SLP1 yeast strain.

  13. Electron transport in the presence of a Coulomb field

    International Nuclear Information System (INIS)

    Burgdoerfer, J.; Gibbons, J.

    1990-01-01

    We analyze the modifications of the transport behavior of electrons in dense media due to the presence of a strong Coulomb field generated by an ion moving initially in close phase-space correlation with the electrons. These modifications play a profound role in convoy electron emission in ion-solid collisions. The transport behavior is studied within the framework of a classical phase-space master equation. The nonseparable master equation is solved numerically using test-particle discretization and Monte Carlo sampling. In the limit of vanishing Coulomb forces the master equation becomes separable and can be reduced to standard one-dimensional kinetic equations for free-electron transport that can be solved exactly. The comparison to free-electron transport is used to gauge both the reliability of test-particle discretization and the significance of Coulomb distortion of the distribution functions. Applications to convoy-electron emission are discussed

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

    KAUST Repository

    Qin, Shengyong; Hellstrom, Sondra; Bao, Zhenan; Boyanov, Boyan; Li, An-Ping

    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.

  15. New Computational Approach to Electron Transport in Irregular Graphene Nanostructures

    Science.gov (United States)

    Mason, Douglas; Heller, Eric; Prendergast, David; Neaton, Jeffrey

    2009-03-01

    For novel graphene devices of nanoscale-to-macroscopic scale, many aspects of their transport properties are not easily understood due to difficulties in fabricating devices with regular edges. Here we develop a framework to efficiently calculate and potentially screen electronic transport properties of arbitrary nanoscale graphene device structures. A generalization of the established recursive Green's function method is presented, providing access to arbitrary device and lead geometries with substantial computer-time savings. Using single-orbital nearest-neighbor tight-binding models and the Green's function-Landauer scattering formalism, we will explore the transmission function of irregular two-dimensional graphene-based nanostructures with arbitrary lead orientation. Prepared by LBNL under contract DE-AC02-05CH11231 and supported by the U.S. Dept. of Energy Computer Science Graduate Fellowship under grant DE-FG02-97ER25308.

  16. Power Electronics and Electric Machines Publications | Transportation

    Science.gov (United States)

    Research | NREL and Electric Machines Publications Power Electronics and Electric Machines Publications NREL and its partners have produced many papers and presentations related to power electronics and from power electronics and electric machines research are available to the public. Photo by Pat Corkery

  17. 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.

  18. Quantitative Efficiency Evaluation Method for Transportation Networks

    Directory of Open Access Journals (Sweden)

    Jin Qin

    2014-11-01

    Full Text Available An effective evaluation of transportation network efficiency/performance is essential to the establishment of sustainable development in any transportation system. Based on a redefinition of transportation network efficiency, a quantitative efficiency evaluation method for transportation network is proposed, which could reflect the effects of network structure, traffic demands, travel choice, and travel costs on network efficiency. Furthermore, the efficiency-oriented importance measure for network components is presented, which can be used to help engineers identify the critical nodes and links in the network. The numerical examples show that, compared with existing efficiency evaluation methods, the network efficiency value calculated by the method proposed in this paper can portray the real operation situation of the transportation network as well as the effects of main factors on network efficiency. We also find that the network efficiency and the importance values of the network components both are functions of demands and network structure in the transportation network.

  19. 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

  20. Multi-scale modelling and numerical simulation of electronic kinetic transport

    International Nuclear Information System (INIS)

    Duclous, R.

    2009-11-01

    This research thesis which is at the interface between numerical analysis, plasma physics and applied mathematics, deals with the kinetic modelling and numerical simulations of the electron energy transport and deposition in laser-produced plasmas, having in view the processes of fuel assembly to temperature and density conditions necessary to ignite fusion reactions. After a brief review of the processes at play in the collisional kinetic theory of plasmas, with a focus on basic models and methods to implement, couple and validate them, the author focuses on the collective aspect related to the free-streaming electron transport equation in the non-relativistic limit as well as in the relativistic regime. He discusses the numerical development and analysis of the scheme for the Vlasov-Maxwell system, and the selection of a validation procedure and numerical tests. Then, he investigates more specific aspects of the collective transport: the multi-specie transport, submitted to phase-space discontinuities. Dealing with the multi-scale physics of electron transport with collision source terms, he validates the accuracy of a fast Monte Carlo multi-grid solver for the Fokker-Planck-Landau electron-electron collision operator. He reports realistic simulations for the kinetic electron transport in the frame of the shock ignition scheme, the development and validation of a reduced electron transport angular model. He finally explores the relative importance of the processes involving electron-electron collisions at high energy by means a multi-scale reduced model with relativistic Boltzmann terms

  1. 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.

  2. 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.

  3. 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

  4. Transport survey calculations using the spectral collocation method

    International Nuclear Information System (INIS)

    Painter, S.L.; Lyon, J.F.

    1989-01-01

    A novel transport survey code has been developed and is being used to study the sensitivity of stellarator reactor performance to various transport assumptions. Instead of following one of the usual approaches, the steady-state transport equation are solved in integral form using the spectral collocation method. This approach effectively combine the computational efficiency of global models with the general nature of 1-D solutions. A compact torsatron reactor test case was used to study the convergence properties and flexibility of the new method. The heat transport model combined Shaing's model for ripple-induced neoclassical transport, the Chang-Hinton model for axisymmetric neoclassical transport, and neoalcator scaling for anomalous electron heat flux. Alpha particle heating, radiation losses, classical electron-ion heat flow, and external heating were included. For the test problem, the method exhibited some remarkable convergence properties. As the number of basis functions was increased, the maximum, pointwise error in the integrated power balance decayed exponentially until the numerical noise level as reached. Better than 10% accuracy in the globally-averaged quantities was achieved with only 5 basis functions; better than 1% accuracy was achieved with 10 basis functions. The numerical method was also found to be very general. Extreme temperature gradients at the plasma edge which sometimes arise from the neoclassical models and are difficult to resolve with finite-difference methods were easily resolved. 8 refs., 6 figs

  5. Extracellular Electron Transport Coupling Biogeochemical Processes Centimeters

    DEFF Research Database (Denmark)

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

    2010-01-01

    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...... exchanging organisms have major biogeochemical importance as they allow widely separated electron donors and acceptors to react with one another....

  6. Molecular electronics: some views on transport junctions and beyond.

    Science.gov (United States)

    Joachim, Christian; Ratner, Mark A

    2005-06-21

    The field of molecular electronics comprises a fundamental set of issues concerning the electronic response of molecules as parts of a mesoscopic structure and a technology-facing area of science. We will overview some important aspects of these subfields. The most advanced ideas in the field involve the use of molecules as individual logic or memory units and are broadly based on using the quantum state space of the molecule. Current work in molecular electronics usually addresses molecular junction transport, where the molecule acts as a barrier for incoming electrons: This is the fundamental Landauer idea of "conduction as scattering" generalized to molecular junction structures. Another point of view in terms of superexchange as a guiding mechanism for coherent electron transfer through the molecular bridge is discussed. Molecules generally exhibit relatively strong vibronic coupling. The last section of this overview focuses on vibronic effects, including inelastic electron tunneling spectroscopy, hysteresis in junction charge transport, and negative differential resistance in molecular transport junctions.

  7. Phenomenological studies of electron-beam transport in wire-plasma channels

    International Nuclear Information System (INIS)

    Lockwood, G.J.; Beezhold, W.

    1980-01-01

    Multiple electron-beam transport in air through plasma channels is an important method for delivering many intense beams to a bremsstrahlung converter system. This paper reports work intended to optimize this transport technique with emphasis on transport through curved channels and on transport efficiencies. Curved-channel transport allows accelerators such as Sandia's PROTO II and PBFA I facilities to be used as flash x-ray sources for weapon effects simulation without reconfiguring the diodes or developing advanced converters. The formation mechanisms of wire-initiated plasma channels in air were examined and the subsequent transport efficiencies of relativistic electron beams through various-length straight and curved plasma channels were determined. Electron transport efficiency through a channel was measured to be 80 to 100% of a zero length channel for 40 cm long straight channels and for curved channels which re-directed the electron beam through an angle of 90 0 . Studies of simultaneous e-beam transport along two curved channels closely spaced at the converter showed that transport efficiency remained at 80 to 100%. However, it was observed that the two e-beams were displaced towards each other. Transport efficiency was observed to depend only weakly on parameters such as wire material, wire length and shape, diode anode aperture, e-beam injection time, and wire-channel applied voltage. For off-center injection conditions the electron beam strongly perturbed the plasma channel in periodic or regularly spaced patterns even though the total energy lost by the electron beam remained small. Plasma-channel transport, when all experimental parameters have been optimized for maximum transport efficiency, is a workable method for directing electron beams to a converter target

  8. Magnetic method for stimulating transport in fluids

    Science.gov (United States)

    Martin, James E.; Solis, Kyle J.

    2016-10-18

    A method for producing mass and heat transport in fluids, wherein the method does not rely on conventional convection, that is, it does not require gravity, a thermal gradient, or a magnetic field gradient. This method gives rise to a unique class of vigorous, field-controllable flow patterns termed advection lattices. The advection lattices can be used to transport heat and/or mass in any desired direction using only magnetic fields.

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

    International Nuclear Information System (INIS)

    Stoneking, W.R.

    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 10 6 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 10 11 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

  10. Tunneling explains efficient electron transport via protein junctions.

    Science.gov (United States)

    Fereiro, Jerry A; Yu, Xi; Pecht, Israel; Sheves, Mordechai; Cuevas, Juan Carlos; Cahen, David

    2018-05-15

    Metalloproteins, proteins containing a transition metal ion cofactor, are electron transfer agents that perform key functions in cells. Inspired by this fact, electron transport across these proteins has been widely studied in solid-state settings, triggering the interest in examining potential use of proteins as building blocks in bioelectronic devices. Here, we report results of low-temperature (10 K) electron transport measurements via monolayer junctions based on the blue copper protein azurin (Az), which strongly suggest quantum tunneling of electrons as the dominant charge transport mechanism. Specifically, we show that, weakening the protein-electrode coupling by introducing a spacer, one can switch the electron transport from off-resonant to resonant tunneling. This is a consequence of reducing the electrode's perturbation of the Cu(II)-localized electronic state, a pattern that has not been observed before in protein-based junctions. Moreover, we identify vibronic features of the Cu(II) coordination sphere in transport characteristics that show directly the active role of the metal ion in resonance tunneling. Our results illustrate how quantum mechanical effects may dominate electron transport via protein-based junctions.

  11. OPTIMIZATION METHODS IN TRANSPORTATION OF FOREST PRODUCTS

    Directory of Open Access Journals (Sweden)

    Selçuk Gümüş

    2008-04-01

    Full Text Available Turkey has total of 21.2 million ha (27 % forest land. In this area, average 9 million m3 of logs and 5 million stere of fuel wood have been annually produced by the government forest enterprises. The total annual production is approximately 13million m3 Considering the fact that the costs of transporting forest products was about . 160 million TL in the year of 2006, the importance of optimizing the total costs in transportation can be better understood. Today, there is not common optimization method used at whole transportation problems. However, the decision makers select the most appropriate methods according to their aims.Comprehending of features and capacity of optimization methods is important for selecting of the most appropriate method. The evaluation of optimization methods that can be used at forest products transportation is aimed in this study.

  12. Some improved methods in neutron transport theory

    Energy Technology Data Exchange (ETDEWEB)

    Pop-Jordanov, J; Stefanovic, D; Kocic, A; Matausek, M; Bosevski, T [Boris Kidric Institute of Nuclear Sciences Vinca, Beograd (Yugoslavia)

    1973-07-01

    The methods described in this paper are: analytical approach to neutron spectra in case of energy dependent anisotropy of elastic scattering; Monte Carlo estimations of neutron absorption reaction rate during slowing down process; spherical harmonics treatment of space-angle-lethargy dependent slowing down transport equation; integral transport theory based on point-wise representation of variables.

  13. A transport synthetic acceleration method for transport iterations

    International Nuclear Information System (INIS)

    Ramone, G.L.; Adams, M.L.

    1997-01-01

    A family of transport synthetic acceleration (TSA) methods for iteratively solving within group scattering problems is presented. A single iteration in these schemes consists of a transport sweep followed by a low-order calculation, which itself is a simplified transport problem. The method for isotropic-scattering problems in X-Y geometry is described. The Fourier analysis of a model problem for equations with no spatial discretization shows that a previously proposed TSA method is unstable in two dimensions but that the modifications make it stable and rapidly convergent. The same procedure for discretized transport equations, using the step characteristic and two bilinear discontinuous methods, shows that discretization enhances TSA performance. A conjugate gradient algorithm for the low-order problem is described, a crude quadrature set for the low-order problem is proposed, and the number of low-order iterations per high-order sweep is limited to a relatively small value. These features lead to simple and efficient improvements to the method. TSA is tested on a series of problems, and a set of parameters is proposed for which the method behaves especially well. TSA achieves a substantial reduction in computational cost over source iteration, regardless of discretization parameters or material properties, and this reduction increases with the difficulty of the problem

  14. Transport of runaway and thermal electrons due to magnetic microturbulence

    International Nuclear Information System (INIS)

    Mynick, H.E.; Strachan, J.D.

    1981-01-01

    The ratio of the runaway electron confinement to thermal electron energy confinement is derived for tokamaks where both processes are determined by free streaming along stochastic magnetic field lines. The runaway electron confinement is enhanced at high runaway electron energies due to phase averaging over the magnetic perturbations when the runaway electron drift surfaces are displaced from the magnetic surfaces. Comparison with experimental data from LT-3, Ormak, PLT, ST, and TM-3 indicates that magnetic stochasticity may explain the relative transport rates of runaways and thermal electron energy

  15. Temperature gradient driven electron transport in NSTX and Tore Supra

    International Nuclear Information System (INIS)

    Horton, W.; Wong, H.V.; Morrison, P.J.; Wurm, A.; Kim, J.H.; Perez, J.C.; Pratt, J.; Hoang, G.T.; LeBlanc, B.P.; Ball, R.

    2005-01-01

    Electron thermal fluxes are derived from the power balance for Tore Supra (TS) and NSTX discharges with centrally deposited fast wave electron heating. Measurements of the electron temperature and density profiles, combined with ray tracing computations of the power absorption profiles, allow detailed interpretation of the thermal flux versus temperature gradient. Evidence supporting the occurrence of electron temperature gradient turbulent transport in the two confinement devices is found. With control of the magnetic rotational transform profile and the heating power, internal transport barriers are created in TS and NSTX discharges. These partial transport barriers are argued to be a universal feature of transport equations in the presence of invariant tori that are intrinsic to non-monotonic rotational transforms in dynamical systems

  16. Electronic and vibrational hopping transport in boron carbides

    International Nuclear Information System (INIS)

    Emin, D.

    1991-01-01

    General concepts of hopping-type transport and localization are reviewed. Disorder, electronic correlations and atomic displacements, effects ignored in electronic band structure calculations, foster localization of electronic charge carriers. Examples are given that illustrate the efficacy of these effects in producing localization. This introduction is followed by a brief discussion of the relation between hopping-type transport and localization. The fundamentals of the formation, localization, and hopping transport of small polarons and/or bipolarons is then described. Electronic transport in boron carbides is presented as an example of the adiabatic hopping of small bipolarons. Finally, the notion of vibrational hopping is introduced. The high-temperature thermal diffusion in boron carbides is presented as a potential application of this idea

  17. 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...

  18. Transport of electrons in lead oxide studied by CELIV technique

    International Nuclear Information System (INIS)

    Semeniuk, O; Juska, G; Oelerich, J O; Jandieri, K; Baranovskii, S D; Reznik, A

    2017-01-01

    Although polycrystalline lead oxide (PbO) has a long history of application in optoelectronics and imaging, the transport mechanism for electrons in this material has not yet been clarified. Using the photo-generated charge extraction by linear increasing voltage (photo-CELIV) technique, we provide the temperature- and field-dependences of electron mobility in poly-PbO. It is found that electrons undergo dispersive transport, i.e. their mobility decreases in the course of time. Multiple trapping of electrons from the conduction band into the developed band tail is revealed as the dominant transport mechanism. This differs dramatically from the dispersive transport of holes in the same material, dominated by topological factors and not by energy disorder. (paper)

  19. Simulation of electron thermal transport in H-mode discharges

    International Nuclear Information System (INIS)

    Rafiq, T.; Pankin, A. Y.; Bateman, G.; Kritz, A. H.; Halpern, F. D.

    2009-01-01

    Electron thermal transport in DIII-D H-mode tokamak plasmas [J. L. Luxon, Nucl. Fusion 42, 614 (2002)] is investigated by comparing predictive simulation results for the evolution of electron temperature profiles with experimental data. The comparison includes the entire profile from the magnetic axis to the bottom of the pedestal. In the simulations, carried out using the automated system for transport analysis (ASTRA) integrated modeling code, different combinations of electron thermal transport models are considered. The combinations include models for electron temperature gradient (ETG) anomalous transport and trapped electron mode (TEM) anomalous transport, as well as a model for paleoclassical transport [J. D. Callen, Nucl. Fusion 45, 1120 (2005)]. It is found that the electromagnetic limit of the Horton ETG model [W. Horton et al., Phys. Fluids 31, 2971 (1988)] provides an important contribution near the magnetic axis, which is a region where the ETG mode in the GLF23 model [R. E. Waltz et al., Phys. Plasmas 4, 2482 (1997)] is below threshold. In simulations of DIII-D discharges, the observed shape of the H-mode edge pedestal is produced when transport associated with the TEM component of the GLF23 model is suppressed and transport given by the paleoclassical model is included. In a study involving 15 DIII-D H-mode discharges, it is found that with a particular combination of electron thermal transport models, the average rms deviation of the predicted electron temperature profile from the experimental profile is reduced to 9% and the offset to -4%.

  20. 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...

  1. Diffusive and convective transport modelling from analysis of ECRH-stimulated electron heat wave propagation. [ECRH (Electron Cyclotron Resonance Heating)

    Energy Technology Data Exchange (ETDEWEB)

    Erckmann, V; Gasparino, U; Giannone, L. (Max-Planck-Institut fuer Plasmaphysik, Garching (Germany)) (and others)

    1992-01-01

    ECRH power modulation experiments in toroidal devices offer the chance to analyze the electron heat transport more conclusively: the electron heat wave propagation can be observed by ECE (or SX) leading to radial profiles of electron temperature modulation amplitude and time delay (phase shift). Taking also the stationary power balance into account, the local electron heat transport can be modelled by a combination of diffusive and convective transport terms. This method is applied to ECRH discharges in the W7-AS stellarator (B=2.5T, R=2m, a[<=]18 cm) where the ECRH power deposition is highly localized. In W7-AS, the T[sub e] modulation profiles measured by a high resolution ECE system are the basis for the local transport analysis. As experimental errors limit the separation of diffusive and convective terms in the electron heat transport for central power deposition, also ECRH power modulation experiments with off-axis deposition and inward heat wave propagation were performed (with 70 GHz o-mode as well as with 140 GHz x-mode for increased absorption). Because collisional electron-ion coupling and radiative losses are only small, low density ECRH discharges are best candidates for estimating the electron heat flux from power balance. (author) 2 refs., 3 figs.

  2. Electronic transport in bismuth selenide in the topological insulator regime

    Science.gov (United States)

    Kim, Dohun

    The 3D topological insulators (TIs) have an insulating bulk but spin-momentum coupled metallic surface states stemming from band inversion due to strong spin-orbit interaction, whose existence is guaranteed by the topology of the band structure of the insulator. While the STI surface state has been studied spectroscopically by e.g. photoemission and scanned probes, transport experiments have failed to demonstrate clear signature of the STI due to high level of bulk conduction. In this thesis, I present experimental results on the transport properties of TI material Bi2Se3 in the absence of bulk conduction (TI regime), achieved by applying novel p-type doping methods. Field effect transistors consisting of thin (thickness: 5-17 nm) Bi2Se3 are fabricated by mechanical exfoliation of single crystals, and a combination of conventional dielectric (300 nm thick SiO2) and electrochemical or chemical gating methods are used to move the Fermi energy through the surface Dirac point inside bulk band gap, revealing the ambipolar gapless nature of transport in the Bi2Se3 surface states. The minimum conductivity of the topological surface state is understood within the self-consistent theory of Dirac electrons in the presence of charged impurities. The intrinsic finite-temperature resistivity of the topological surface state due to electron-acoustic phonon scattering is measured to be 60 times larger than that of graphene largely due to the smaller Fermi and sound velocities in Bi2Se 3, which will have implications for topological electronic devices operating at room temperature. Along with semi-classical Boltzmann transport, I also discuss 2D weak anti-localization (WAL) behavior of the topological surface states. By investigating gate-tuned WAL behavior in thin (5-17 nm) TI films, I show that WAL in the TI regime is extraordinarily sensitive to the hybridization induced quantum mechanical tunneling between top and bottom topological surfaces, and interplay of phase coherence

  3. Electronic transport and lasing in microstructures

    International Nuclear Information System (INIS)

    Lax, M.

    1992-01-01

    We consider the interaction of hot carriers with hot phonons in a quantum well. Transport is considered in the transverse direction and tunneling through the well barriers. Time-dependent transport effects down to the femto-second regime are included, as are strong and/or microwave fields, with negative resistance effects. Resonant tunneling assisted by phonon relaxation and infra-red radiation will be explored. The limitations on transmission of information due to partition noise, as influenced by the design of semiconductor feedback lasers will be considered. The use of light scattering and decision theory to detect shell-like aerosols is examined

  4. Improved methods for operating public transportation services.

    Science.gov (United States)

    2013-03-01

    In this joint project, West Virginia University and the University of Maryland collaborated in developing improved methods for analyzing and managing public transportation services. Transit travel time data were collected using GPS tracking services ...

  5. Simulations of Electron Transport in Laser Hot Spots

    International Nuclear Information System (INIS)

    Brunner, S.; Valeo, E.

    2001-01-01

    Simulations of electron transport are carried out by solving the Fokker-Planck equation in the diffusive approximation. The system of a single laser hot spot, with open boundary conditions, is systematically studied by performing a scan over a wide range of the two relevant parameters: (1) Ratio of the stopping length over the width of the hot spot. (2) Relative importance of the heating through inverse Bremsstrahlung compared to the thermalization through self-collisions. As for uniform illumination [J.P. Matte et al., Plasma Phys. Controlled Fusion 30 (1988) 1665], the bulk of the velocity distribution functions (VDFs) present a super-Gaussian dependence. However, as a result of spatial transport, the tails are observed to be well represented by a Maxwellian. A similar dependence of the distributions is also found for multiple hot spot systems. For its relevance with respect to stimulated Raman scattering, the linear Landau damping of the electron plasma wave is estimated for such VD Fs. Finally, the nonlinear Fokker-Planck simulations of the single laser hot spot system are also compared to the results obtained with the linear non-local hydrodynamic approach [A.V. Brantov et al., Phys. Plasmas 5 (1998) 2742], thus providing a quantitative limit to the latter method: The hydrodynamic approach presents more than 10% inaccuracy in the presence of temperature variations of the order delta T/T greater than or equal to 1%, and similar levels of deformation of the Gaussian shape of the Maxwellian background

  6. 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.)

  7. 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...

  8. Novel Parallel Numerical Methods for Radiation and Neutron Transport

    International Nuclear Information System (INIS)

    Brown, P N

    2001-01-01

    In many of the multiphysics simulations performed at LLNL, transport calculations can take up 30 to 50% of the total run time. If Monte Carlo methods are used, the percentage can be as high as 80%. Thus, a significant core competence in the formulation, software implementation, and solution of the numerical problems arising in transport modeling is essential to Laboratory and DOE research. In this project, we worked on developing scalable solution methods for the equations that model the transport of photons and neutrons through materials. Our goal was to reduce the transport solve time in these simulations by means of more advanced numerical methods and their parallel implementations. These methods must be scalable, that is, the time to solution must remain constant as the problem size grows and additional computer resources are used. For iterative methods, scalability requires that (1) the number of iterations to reach convergence is independent of problem size, and (2) that the computational cost grows linearly with problem size. We focused on deterministic approaches to transport, building on our earlier work in which we performed a new, detailed analysis of some existing transport methods and developed new approaches. The Boltzmann equation (the underlying equation to be solved) and various solution methods have been developed over many years. Consequently, many laboratory codes are based on these methods, which are in some cases decades old. For the transport of x-rays through partially ionized plasmas in local thermodynamic equilibrium, the transport equation is coupled to nonlinear diffusion equations for the electron and ion temperatures via the highly nonlinear Planck function. We investigated the suitability of traditional-solution approaches to transport on terascale architectures and also designed new scalable algorithms; in some cases, we investigated hybrid approaches that combined both

  9. Study of Electron Transport and Amplification in Diamond

    Energy Technology Data Exchange (ETDEWEB)

    Ben-Zvi, Ilan [Stony Brook Univ., NY (United States); Muller, Erik [Stony Brook Univ., NY (United States)

    2015-01-05

    The development of the Diamond Amplified Photocathode (DAP) has produced significant results under our previous HEP funded efforts both on the fabrication of working devices and the understanding of the underlying physics governing its performance. The results presented here substantiate the use of diamond as both a secondary electron amplifier for high-brightness, high-average-current electron sources and as a photon and particle detector in harsh radiation environments. Very high average current densities (>10A/cm2) have been transported through diamond material. The transport has been measured as a function of incident photon energy and found to be in good agreement with theoretical models. Measurements of the charge transport for photon energies near the carbon K-edge (290 eV for sp3 bonded carbon) have provided insight into carrier loss due to diffusion; modeling of this aspect of charge transport is underway. The response of diamond to nanosecond x-ray pulses has been measured; in this regime the charge transport is as expected. Electron emission from hydrogenated diamond has been measured using both electron and x-ray generated carriers; a gain of 178 has been observed for electron-generated carriers. The energy spectrum of the emitted electrons has been measured, providing insight into the electron affinity and ultimately the thermal emittance. The origin of charge trapping in diamond has been investigated for both bulk and surface trapping

  10. METHOD OF ELECTRON BEAM PROCESSING

    DEFF Research Database (Denmark)

    2003-01-01

    As a rule, electron beam welding takes place in a vacuum. However, this means that the workpieces in question have to be placed in a vacuum chamber and have to be removed therefrom after welding. This is time−consuming and a serious limitation of a process the greatest advantage of which is the o......As a rule, electron beam welding takes place in a vacuum. However, this means that the workpieces in question have to be placed in a vacuum chamber and have to be removed therefrom after welding. This is time−consuming and a serious limitation of a process the greatest advantage of which...... is the option of welding workpieces of large thicknesses. Therefore the idea is to guide the electron beam (2) to the workpiece via a hollow wire, said wire thereby acting as a prolongation of the vacuum chamber (4) down to workpiece. Thus, a workpiece need not be placed inside the vacuum chamber, thereby...... exploiting the potential of electron beam processing to a greater degree than previously possible, for example by means of electron beam welding...

  11. Hydration effect on the electronic transport properties of oligomeric phenylene ethynylene molecular junctions

    International Nuclear Information System (INIS)

    Zong-Liang, Li; Huai-Zhi, Li; Yong, Ma; Guang-Ping, Zhang; Chuan-Kui, Wang

    2010-01-01

    A first-principles computational method based on the hybrid density functional theory is developed to simulate the electronic transport properties of oligomeric phenylene ethynylene molecular junctions with H 2 O molecules accumulated in the vicinity as recently reported by Na et al. [Nanotechnology 18 424001 (2007)]. The numerical results show that the hydrogen bonds between the oxygen atoms of the oligomeric phenylene ethynylene molecule and H 2 O molecules result in the localisation of the molecular orbitals and lead to the lower transition peaks. The H 2 O molecular chains accumulated in the vicinity of the molecular junction can not only change the electronic structure of the molecular junctions, but also open additional electronic transport pathways. The obvious influence of H 2 O molecules on the electronic structure of the molecular junction and its electronic transport properties is thus demonstrated. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  12. Attosecond photoelectron spectroscopy of electron transport in solids

    International Nuclear Information System (INIS)

    Magerl, Elisabeth

    2011-01-01

    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

  13. 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

  14. METHODS OF INTEGRATED OPTIMIZATION MAGLEV TRANSPORT SYSTEMS

    Directory of Open Access Journals (Sweden)

    A. Lasher

    2013-09-01

    example, this research proved the sustainability of the proposed integrated optimization parameters of transport systems. This approach could be applied not only for MTS, but also for other transport systems. Originality. The bases of the complex optimization of transport presented are the new system of universal scientific methods and approaches that ensure high accuracy and authenticity of calculations with the simulation of transport systems and transport networks taking into account the dynamics of their development. Practical value. The development of the theoretical and technological bases of conducting the complex optimization of transport makes it possible to create the scientific tool, which ensures the fulfillment of the automated simulation and calculating of technical and economic structure and technology of the work of different objects of transport, including its infrastructure.

  15. Memory function formalism applied to electronic transport in disordered systems

    International Nuclear Information System (INIS)

    Cunha Lima, I.C. da

    1984-01-01

    Memory function formalism is briefly reviewed and applied to electronic transport using the projection operator technique. The resistivity of a disordered 2-D electron gas under strong magnetic field is obtained in terms of force-force correlation function. (Author) [pt

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

    Science.gov (United States)

    Surdutovich, Eugene; Solov'yov, Andrey V.

    2015-08-01

    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. COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy.

  17. Unified description of inelastic propensity rules for electron transport through nanoscale junctions

    DEFF Research Database (Denmark)

    Paulsson, Magnus; Frederiksen, Thomas; Ueba, Hiromu

    2008-01-01

    We present a method to analyze the results of first-principles based calculations of electronic currents including inelastic electron-phonon effects. This method allows us to determine the electronic and vibrational symmetries in play, and hence to obtain the so-called propensity rules for the st......We present a method to analyze the results of first-principles based calculations of electronic currents including inelastic electron-phonon effects. This method allows us to determine the electronic and vibrational symmetries in play, and hence to obtain the so-called propensity rules...... for the studied systems. We show that only a few scattering states-namely those belonging to the most transmitting eigenchannels-need to be considered for a complete description of the electron transport. We apply the method on first-principles calculations of four different systems and obtain the propensity...

  18. Thermal Transport in Diamond Films for Electronics Thermal Management

    Science.gov (United States)

    2018-03-01

    AFRL-RY-WP-TR-2017-0219 THERMAL TRANSPORT IN DIAMOND FILMS FOR ELECTRONICS THERMAL MANAGEMENT Samuel Graham Georgia Institute of Technology MARCH... ELECTRONICS THERMAL MANAGEMENT 5a. CONTRACT NUMBER FA8650-15-C-7517 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 61101E 6. AUTHOR(S) Samuel...seeded sample (NRL 010516, Die A5). The NCD membrane and Al layer thicknesses, tNCD, were measured via transmission electron microscopy (TEM). The

  19. Kinetic Theory of Electronic Transport in Random Magnetic Fields

    Science.gov (United States)

    Lucas, Andrew

    2018-03-01

    We present the theory of quasiparticle transport in perturbatively small inhomogeneous magnetic fields across the ballistic-to-hydrodynamic crossover. In the hydrodynamic limit, the resistivity ρ generically grows proportionally to the rate of momentum-conserving electron-electron collisions at large enough temperatures T . In particular, the resulting flow of electrons provides a simple scenario where viscous effects suppress conductance below the ballistic value. This new mechanism for ρ ∝T2 resistivity in a Fermi liquid may describe low T transport in single-band SrTiO3 .

  20. Runaway electron transport studies in the HL-1M tokamak

    International Nuclear Information System (INIS)

    Zheng Yongzhen; Qi Changwei; Ding Xuantong; Li Wenzhong

    2002-01-01

    The transport of runaway electrons in a hot plasma has been studied in four experiments, which provide the runaway diffusivity D r The first experiment obtained runaway electrons using a steady state approach for values of the runaway confinement time τ r , deduced from hard X-ray bremsstrahlung spectra. In the second experiment, diffusion has been interpreted in terms of the magnetic fluctuation, from which a electron thermal diffusivity can be deduced. Runaway electro diffusion coefficient is determined by intrinsic magnetic fluctuations, rather than electrostatic fluctuations because of the high energy involved. The results presented here demonstrate the efficiency of using runaway transport techniques for determining intrinsic magnetic fluctuations

  1. A ballistic transport model for electronic excitation following particle impact

    Science.gov (United States)

    Hanke, S.; Heuser, C.; Weidtmann, B.; Wucher, A.

    2018-01-01

    We present a ballistic model for the transport of electronic excitation energy induced by keV particle bombardment onto a solid surface. Starting from a free electron gas model, the Boltzmann transport equation (BTE) is employed to follow the evolution of the temporal and spatial distribution function f (r → , k → , t) describing the occupation probability of an electronic state k → at position r → and time t. Three different initializations of the distribution function are considered: i) a thermal distribution function with a locally and temporally elevated electron temperature, ii) a peak excitation at a specific energy above the Fermi level with a quasi-isotropic distribution in k-space and iii) an anisotropic peak excitation with k-vectors oriented in a specific transport direction. While the first initialization resembles a distribution function which may, for instance, result from electronic friction of moving atoms within an ion induced collision cascade, the peak excitation can in principle result from an autoionization process after excitation in close binary collisions. By numerically solving the BTE, we study the electronic energy exchange along a one dimensional transport direction to obtain a time and space resolved excitation energy distribution function, which is then analyzed in view of general transport characteristics of the chosen model system.

  2. Unconventional aspects of electronic transport in delafossite oxides

    Science.gov (United States)

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

    2017-12-01

    The electronic transport properties of the delafossite oxides ? are usually understood in terms of two well-separated entities, namely the triangular ? and (? 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 ? and ?, which show a high-temperature recovery of Fermi-liquid transport exponents, as well as the highly anisotropic metals ?, ?, and ?, where the sheer simplicity of the Fermi surface leads to unconventional transport. We present some of the theoretical tools that have been used to investigate these transport properties and review what can and cannot be learned from the extensive set of electronic structure calculations that have been performed.

  3. Diffusion tensor in electron swarm transport

    International Nuclear Information System (INIS)

    Makabe, T.; Mori, T.

    1983-01-01

    Expression for the diffusion tensor of the electron (or light ion) swarm is presented from the higher-order expansion of the velocity distribution in the Boltzmann equation in hydrodynamic stage. Derived diffusion coefficients for the transverse and longitudinal directions include the additional terms representative of the curvature effect under the action of an electric field with the usual-two-term expressions. Numerical analysis is given for the electron swarm in model gases having the momentum transfer cross section Qsub(m)(epsilon)=Q 0 epsilon sup(beta) (β=0, 1/2, 1) using the present theory. As the result, appreciable degree of discrepancy appears between the transverse diffusion coefficient defined here and the conventional expression with increasing of β in Qsub(m). (Author)

  4. Conditioner for a helically transported electron beam

    International Nuclear Information System (INIS)

    Wang, C.

    1992-05-01

    The kinetic theory is developed to investigate a conditioner for a helically imported electron beam. Linear expressions for axial velocity spread are derived. Numerical simulation is used to check the theoretical results and examine nonlinear aspects of the conditioning process. The results show that in the linear regime the action of the beam conditioner on a pulsed beam mainly depends on the phase at which the beam enters the conditioner and depends only slightly on the operating wavelength. In the nonlinear regime, however, the action of the conditioner strongly depends on the operating wavelength and only slightly upon the entrance phase. For a properly chosen operating wavelength, a little less than the electron's relativistic cyclotron wavelength, the conditioner can decrease the axial velocity spread of a pulsed beam down to less than one-third of its initial value

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

    KAUST Repository

    Yu, Jing-Xin; Cheng, Yan; Sanvito, Stefano; Chen, Xiang-Rong

    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.

  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. Range calculations using multigroup transport methods

    International Nuclear Information System (INIS)

    Hoffman, T.J.; Robinson, M.T.; Dodds, H.L. Jr.

    1979-01-01

    Several aspects of radiation damage effects in fusion reactor neutron and ion irradiation environments are amenable to treatment by transport theory methods. In this paper, multigroup transport techniques are developed for the calculation of particle range distributions. These techniques are illustrated by analysis of Au-196 atoms recoiling from (n,2n) reactions with gold. The results of these calculations agree very well with range calculations performed with the atomistic code MARLOWE. Although some detail of the atomistic model is lost in the multigroup transport calculations, the improved computational speed should prove useful in the solution of fusion material design problems

  8. 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...... 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...... a direct measurement of the surface electronic transport on a bulk topological insulator. The surface state conductivity and mobility are obtained. Apart from transport properties, we also investigate the atomic structure of the Bi2Se3(111) surface via surface x-ray diraction and low-energy electron...

  9. 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.

  10. Effects of electron-electron interactions on electronic transport in disordered systems

    International Nuclear Information System (INIS)

    Foley, Simon Timothy

    2002-01-01

    This thesis is concerned with the role of electron-electron interactions on electronic transport in disordered systems. We first consider a novel non-linear sigma model in order to microscopically treat the effects of disorder and electronic interaction. We successfully reproduce the perturbative results for the zero-bias anomaly and the interaction correction to the conductivity in a weakly disordered system, and discuss possible directions for future work. Secondly we consider the fluctuations of the dephasing rate for a closed diffusive and quantum dot system. Using the Keldysh technique we derive an expression for the inelastic scattering rate with which we self-consistently obtain the fluctuations in the dephasing rate. For the diffusive regime we find the relative fluctuations is given by F ∼ (L φ /L) 2 /g 2 , where g is the dimensionless conductance, L φ is the dephasing length and L is the sample size. For the quantum dot regime we find a perturbative divergence due to the presence of the zero mode. By mapping divergent diagrams to those for the two-level correlation function, we conjecture the existence of an exact relation between the two. Finally we discuss the consequences of this relation. (author)

  11. Modelling transport in single electron transistor

    International Nuclear Information System (INIS)

    Dinh Sy Hien; Huynh Lam Thu Thao; Le Hoang Minh

    2009-01-01

    We introduce a model of single electron transistor (SET). Simulation programme of SET is used as the exploratory tool in order to gain better understanding of process and device physics. This simulator includes a graphic user interface (GUI) in Matlab. The SET was simulated using GUI in Matlab to get current-voltage (I-V) characteristics. In addition, effects of device capacitance, bias, temperature on the I-V characteristics were obtained. In this work, we review the capabilities of the simulator of the SET. Typical simulations of the obtained I-V characteristics of the SET are presented.

  12. Fast electron transport study for inertial confinement fusion

    International Nuclear Information System (INIS)

    Touati, Michael

    2015-01-01

    A new hybrid reduced model for relativistic electron beam transport in solids and dense plasmas is presented. It is based on the two first angular moments of the relativistic kinetic equation completed with the Minerbo maximum angular entropy closure. It takes into account collective effects with the self-generated electromagnetic fields as well as collisional effects with the slowing down of the electrons in collisions with plasmons, bound and free electrons and their angular scattering on both ions and electrons. This model allows for fast computations of relativistic electron beam transport while describing the kinetic distribution function evolution. Despite the loss of information concerning the angular distribution of the electron beam, the model reproduces analytical estimates in the academic case of a collimated and monoenergetic electron beam propagating through a warm and dense Hydrogen plasma and hybrid PIC simulation results in a realistic laser-generated electron beam transport in a solid target. The model is applied to the study of the emission of Kα photons in laser-solid experiments and to the generation of shock waves. (author) [fr

  13. Radiation transport calculation methods in BNCT

    International Nuclear Information System (INIS)

    Koivunoro, H.; Seppaelae, T.; Savolainen, S.

    2000-01-01

    Boron neutron capture therapy (BNCT) is used as a radiotherapy for malignant brain tumours. Radiation dose distribution is necessary to determine individually for each patient. Radiation transport and dose distribution calculations in BNCT are more complicated than in conventional radiotherapy. Total dose in BNCT consists of several different dose components. The most important dose component for tumour control is therapeutic boron dose D B . The other dose components are gamma dose D g , incident fast neutron dose D f ast n and nitrogen dose D N . Total dose is a weighted sum of the dose components. Calculation of neutron and photon flux is a complex problem and requires numerical methods, i.e. deterministic or stochastic simulation methods. Deterministic methods are based on the numerical solution of Boltzmann transport equation. Such are discrete ordinates (SN) and spherical harmonics (PN) methods. The stochastic simulation method for calculation of radiation transport is known as Monte Carlo method. In the deterministic methods the spatial geometry is partitioned into mesh elements. In SN method angular integrals of the transport equation are replaced with weighted sums over a set of discrete angular directions. Flux is calculated iteratively for all these mesh elements and for each discrete direction. Discrete ordinates transport codes used in the dosimetric calculations are ANISN, DORT and TORT. In PN method a Legendre expansion for angular flux is used instead of discrete direction fluxes, land the angular dependency comes a property of vector function space itself. Thus, only spatial iterations are required for resulting equations. A novel radiation transport code based on PN method and tree-multigrid technique (TMG) has been developed at VTT (Technical Research Centre of Finland). Monte Carlo method solves the radiation transport by randomly selecting neutrons and photons from a prespecified boundary source and following the histories of selected particles

  14. An inverse method for radiation transport

    Energy Technology Data Exchange (ETDEWEB)

    Favorite, J. A. (Jeffrey A.); Sanchez, R. (Richard)

    2004-01-01

    Adjoint functions have been used with forward functions to compute gradients in implicit (iterative) solution methods for inverse problems in optical tomography, geoscience, thermal science, and other fields, but only once has this approach been used for inverse solutions to the Boltzmann transport equation. In this paper, this approach is used to develop an inverse method that requires only angle-independent flux measurements, rather than angle-dependent measurements as was done previously. The method is applied to a simplified form of the transport equation that does not include scattering. The resulting procedure uses measured values of gamma-ray fluxes of discrete, characteristic energies to determine interface locations in a multilayer shield. The method was implemented with a Newton-Raphson optimization algorithm, and it worked very well in numerical one-dimensional spherical test cases. A more sophisticated optimization method would better exploit the potential of the inverse method.

  15. Investigation of electronic transport properties of some liquid transition metals

    Science.gov (United States)

    Patel, H. P.; Sonvane, Y. A.; Thakor, P. B.

    2018-04-01

    We investigated electronic transport properties of some liquid transition metals (V, Cr, Mn, Fe, Co and Pt) using Ziman formalism. Our parameter free model potential which is realized on ionic and atomic radius has been incorporated with the Hard Sphere Yukawa (HSY) reference system to study the electronic transport properties like electrical resistivity (ρ), thermal conductivity (σ) and thermo electrical power (Q). The screening effect on aforesaid properties has been studied by using different screening functions. The correlations of our results and others data with in addition experimental values are profoundly promising to the researchers working in this field. Also, we conclude that our newly constructed parameter free model potential is capable to explain the aforesaid electronic transport properties.

  16. Electron thermal transport in tokamak: ETG or TEM turbulences?

    International Nuclear Information System (INIS)

    Lin, Z.; Chen, L.; Nishimura, Y.; Qu, H.; Hahm, T.S.; Lewandowski, J.; Rewoldt, G.; Wang, W.X.; Diamond, P.H.; Holland, C.; Zonca, F.; Li, Y.

    2005-01-01

    This paper reports progress on numerical and theoretical studies of electron transport in tokamak including: (1) electron temperature gradient turbulence; (2) trapped electron mode turbulence; and (3) a new finite element solver for global electromagnetic simulation. In particular, global gyrokinetic particle simulation and nonlinear gyrokinetic theory find that electron temperature gradient (ETG) instability saturates via nonlinear toroidal couplings, which transfer energy successively from unstable modes to damped modes preferably with longer poloidal wavelengths. The electrostatic ETG turbulence is dominated by nonlinearly generated radial streamers. The length of streamers scales with the device size and is much longer than the distance between mode rational surfaces or electron radial excursions. Both fluctuation intensity and transport level are independent of the streamer size. These simulations with realistic plasma parameters find that the electron heat conductivity is much smaller than the experimental value and in contrast with recent findings of flux-tube simulations that ETG turbulence is responsible for the anomalous electron thermal transport in fusion plasmas. The nonlinear toroidal couplings represent a new paradigm for the spectral cascade in plasma turbulence. (author)

  17. Response matrix Monte Carlo based on a general geometry local calculation for electron transport

    International Nuclear Information System (INIS)

    Ballinger, C.T.; Rathkopf, J.A.; Martin, W.R.

    1991-01-01

    A Response Matrix Monte Carlo (RMMC) method has been developed for solving electron transport problems. This method was born of the need to have a reliable, computationally efficient transport method for low energy electrons (below a few hundred keV) in all materials. Today, condensed history methods are used which reduce the computation time by modeling the combined effect of many collisions but fail at low energy because of the assumptions required to characterize the electron scattering. Analog Monte Carlo simulations are prohibitively expensive since electrons undergo coulombic scattering with little state change after a collision. The RMMC method attempts to combine the accuracy of an analog Monte Carlo simulation with the speed of the condensed history methods. Like condensed history, the RMMC method uses probability distributions functions (PDFs) to describe the energy and direction of the electron after several collisions. However, unlike the condensed history method the PDFs are based on an analog Monte Carlo simulation over a small region. Condensed history theories require assumptions about the electron scattering to derive the PDFs for direction and energy. Thus the RMMC method samples from PDFs which more accurately represent the electron random walk. Results show good agreement between the RMMC method and analog Monte Carlo. 13 refs., 8 figs

  18. Particle-transport simulation with the Monte Carlo method

    International Nuclear Information System (INIS)

    Carter, L.L.; Cashwell, E.D.

    1975-01-01

    Attention is focused on the application of the Monte Carlo method to particle transport problems, with emphasis on neutron and photon transport. Topics covered include sampling methods, mathematical prescriptions for simulating particle transport, mechanics of simulating particle transport, neutron transport, and photon transport. A literature survey of 204 references is included. (GMT)

  19. Role of electron-electron scattering on spin transport in single layer graphene

    Directory of Open Access Journals (Sweden)

    Bahniman Ghosh

    2014-01-01

    Full Text Available In this work, the effect of electron-electron scattering on spin transport in single layer graphene is studied using semi-classical Monte Carlo simulation. The D’yakonov-P’erel mechanism is considered for spin relaxation. It is found that electron-electron scattering causes spin relaxation length to decrease by 35% at 300 K. The reason for this decrease in spin relaxation length is that the ensemble spin is modified upon an e-e collision and also e-e scattering rate is greater than phonon scattering rate at room temperature, which causes change in spin relaxation profile due to electron-electron scattering.

  20. Monte Carlo method for neutron transport problems

    International Nuclear Information System (INIS)

    Asaoka, Takumi

    1977-01-01

    Some methods for decreasing variances in Monte Carlo neutron transport calculations are presented together with the results of sample calculations. A general purpose neutron transport Monte Carlo code ''MORSE'' was used for the purpose. The first method discussed in this report is the method of statistical estimation. As an example of this method, the application of the coarse-mesh rebalance acceleration method to the criticality calculation of a cylindrical fast reactor is presented. Effective multiplication factor and its standard deviation are presented as a function of the number of histories and comparisons are made between the coarse-mesh rebalance method and the standard method. Five-group neutron fluxes at core center are also compared with the result of S4 calculation. The second method is the method of correlated sampling. This method was applied to the perturbation calculation of control rod worths in a fast critical assembly (FCA-V-3) Two methods of sampling (similar flight paths and identical flight paths) are tested and compared with experimental results. For every cases the experimental value lies within the standard deviation of the Monte Carlo calculations. The third method is the importance sampling. In this report a biased selection of particle flight directions discussed. This method was applied to the flux calculation in a spherical fast neutron system surrounded by a 10.16 cm iron reflector. Result-direction biasing, path-length stretching, and no biasing are compared with S8 calculation. (Aoki, K.)

  1. Electron and impurity transport studies in the TCV Tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, D.

    2013-05-15

    In this thesis electron and impurity transport are studied in the Tokamak à Configuration Variable (TCV) located at CRPP-EPFL in Lausanne. Understanding particle transport is primordial for future nuclear fusion power plants. Modeling of experiments in many specific plasma scenarios can help to understand the common elements of the physics at play and to interpret apparently contradictory experiments on the same machine and across different machines. The first part of this thesis deals with electron transport in TCV high confinement mode plasmas. It was observed that the electron density profile in these plasmas flatten when intense electron heating is applied, in contrast to observations on other machines where the increase of the profile peakedness was reported. It is shown with quasi-linear gyrokinetic simulations that this effect, usually interpreted as collisionality dependence, stems from the combined effect of many plasma parameters. The influence of the collisionality, electron to ion temperature ratio, the ratio of temperature gradients, and the Ware-pinch are studied with detailed parameter scans. It is shown that the complex interdependence of the various plasma parameters is greatly simplified when the simulation results are interpreted as a function of the average frequency of the main modes contributing to radial transport. In this way the model is able to explain the experimental results. It was also shown that the same basic understanding is at play in L-modes, H-modes and electron internal transport barriers. The second part of the thesis is devoted to impurity transport. A multi-purpose gas injection system is developed, commissioned and calibrated. It is shown that the system is capable of massive gas injections to provoke disruptions and delivering small puffs of gaseous impurities for perturbative transport experiments. This flexible tool is exploited in a series of impurity transport measurements with argon and neon injections. The impurities

  2. Electron and impurity transport studies in the TCV Tokamak

    International Nuclear Information System (INIS)

    Wagner, D.

    2013-05-01

    In this thesis electron and impurity transport are studied in the Tokamak à Configuration Variable (TCV) located at CRPP-EPFL in Lausanne. Understanding particle transport is primordial for future nuclear fusion power plants. Modeling of experiments in many specific plasma scenarios can help to understand the common elements of the physics at play and to interpret apparently contradictory experiments on the same machine and across different machines. The first part of this thesis deals with electron transport in TCV high confinement mode plasmas. It was observed that the electron density profile in these plasmas flatten when intense electron heating is applied, in contrast to observations on other machines where the increase of the profile peakedness was reported. It is shown with quasi-linear gyrokinetic simulations that this effect, usually interpreted as collisionality dependence, stems from the combined effect of many plasma parameters. The influence of the collisionality, electron to ion temperature ratio, the ratio of temperature gradients, and the Ware-pinch are studied with detailed parameter scans. It is shown that the complex interdependence of the various plasma parameters is greatly simplified when the simulation results are interpreted as a function of the average frequency of the main modes contributing to radial transport. In this way the model is able to explain the experimental results. It was also shown that the same basic understanding is at play in L-modes, H-modes and electron internal transport barriers. The second part of the thesis is devoted to impurity transport. A multi-purpose gas injection system is developed, commissioned and calibrated. It is shown that the system is capable of massive gas injections to provoke disruptions and delivering small puffs of gaseous impurities for perturbative transport experiments. This flexible tool is exploited in a series of impurity transport measurements with argon and neon injections. The impurities

  3. Increased expression of electron transport chain genes in uterine leiomyoma.

    Science.gov (United States)

    Tuncal, Akile; Aydin, Hikmet Hakan; Askar, Niyazi; Ozkaya, Ali Burak; Ergenoglu, Ahmet Mete; Yeniel, Ahmet Ozgur; Akdemir, Ali; Ak, Handan

    2014-01-01

    The etiology and pathophysiology of uterine leiomyomas, benign smooth muscle tumors of the uterus, are not well understood. To evaluate the role of mitochondria in uterine leiomyoma, we compared electron transport gene expressions of uterine leiomyoma tissue with myometrium tissue in six uterine leiomyoma patients by RT-PCR array. Our results showed an average of 1.562 (±0.445) fold increase in nuclear-encoded electron transport genes. These results might suggest an increase in size, number, or activity of mitochondria in uterine leiomyoma that, to our knowledge, has not been previously reported. © 2014 by the Association of Clinical Scientists, Inc.

  4. Discrete elements method of neutron transport

    International Nuclear Information System (INIS)

    Mathews, K.A.

    1988-01-01

    In this paper a new neutron transport method, called discrete elements (L N ) is derived and compared to discrete ordinates methods, theoretically and by numerical experimentation. The discrete elements method is based on discretizing the Boltzmann equation over a set of elements of angle. The discrete elements method is shown to be more cost-effective than discrete ordinates, in terms of accuracy versus execution time and storage, for the cases tested. In a two-dimensional test case, a vacuum duct in a shield, the L N method is more consistently convergent toward a Monte Carlo benchmark solution

  5. NMR studies of transmembrane electron transport in human erythrocytes

    International Nuclear Information System (INIS)

    Kennett, E.C.; Bubb, W.A.; Kuchel, P.W.

    2002-01-01

    Full text: Electron transport systems exist in the plasma membranes of all cells. These systems appear to play a role in cell growth and proliferation, intracellular signalling, hormone responses, apoptotic events, cell defence and perhaps most importantly they enable the cell to respond to changes in the redox state of both the intra- and extracellular environments. Previously, 13 C NMR has been used to study transmembrane electron transport in human erythrocytes, specifically the reduction of extracellular 13 C-ferricyanide. NMR is a particularly useful tool for studying such systems as changes in the metabolic state of the cell can be observed concomitantly with extracellular reductase activity. We investigated the oxidation of extracellular NADH by human erythrocytes using 1 H and 31 P NMR spectroscopy. Recent results for glucose-starved human erythrocytes indicate that, under these conditions, extracellular NADH can be oxidised at the plasma membrane with the electron transfer across the membrane resulting in reduction of intracellular NAD + . The activity is inhibited by known trans-plasma membrane electron transport inhibitors (capsaicin and atebrin) and is unaffected by inhibition of the erythrocyte Band 3 anion transporter. These results suggest that electron import from extracellular NADH allows the cell to re-establish a reducing environment after the normal redox balance is disturbed

  6. Electron cyclotron waves, transport and instabilities in hot plasmas

    International Nuclear Information System (INIS)

    Westerhof, E.

    1987-01-01

    A number of topics relevant to the magnetic confinement approach to the thermonuclear fusion is addressed. The absorption and emission of electron cyclotron waves in a thermal plasma with a small population of supra-thermal, streaming electrons is examined and the properties of electron cyclotron waves in a plasma with a pure loss-cone distribution are studied. A report is given on the 1-D transport code simulations that were performed to assist the interpretation of the electron cyclotron heating experiments on the TFR tokamak. Transport code simulations of sawteeth discharges in the T-10 tokamak are discussed in order to compare the predictions of different models for the sawtooth oscillations with the experimental findings. 149 refs.; 69 figs.; 7 tabs

  7. 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

  8. ETRAN, Electron Transport and Gamma Transport with Secondary Radiation in Slab by Monte-Carlo

    International Nuclear Information System (INIS)

    1992-01-01

    A - Nature of physical problem solved: ETRAN computes the transport of electrons and photons through plane-parallel slab targets that have a finite thickness in one dimension and are unbound in the other two-dimensions. The incident radiation can consist of a beam of either electrons or photons with specified spectral and directional distribution. Options are available by which all orders of the electron-photon cascade can be included in the calculation. Thus electrons are allowed to give rise to secondary knock-on electrons, continuous Bremsstrahlung and characteristic x-rays; and photons are allowed to produce photo-electrons, Compton electrons, and electron- positron pairs. Annihilation quanta, fluorescence radiation, and Auger electrons are also taken into account. If desired, the Monte- Carlo histories of all generations of secondary radiations are followed. The information produced by ETRAN includes the following items: 1) reflection and transmission of electrons or photons, differential in energy and direction; 2) the production of continuous Bremsstrahlung and characteristic x-rays by electrons and the emergence of such radiations from the target (differential in photon energy and direction); 3) the spectrum of the amounts of energy left behind in a thick target by an incident electron beam; 4) the deposition of energy and charge by an electron beam as function of the depth in the target; 5) the flux of electrons, differential in energy, as function of the depth in the target. B - Method of solution: A programme called DATAPAC-4 takes data for a particular material from a library tape and further processes them. The function of DATAPAC-4 is to produce single-scattering and multiple-scattering data in the form of tabular arrays (again stored on magnetic tape) which facilitate the rapid sampling of electron and photon Monte Carlo histories in ETRAN. The photon component of the electron-photon cascade is calculated by conventional random sampling that imitates

  9. Electron transport in magnetic multilayers: effect of disorder

    Czech Academy of Sciences Publication Activity Database

    Drchal, Václav; Kudrnovský, Josef; Bruno, P.; Dederichs, P. H.; Turek, Ilja; Weinberger, P.

    2002-01-01

    Roč. 65, - (2002), s. 214414-1-214414-8 ISSN 0163-1829 R&D Projects: GA MŠk OC P5.30; GA ČR GA202/00/0122; GA AV ČR IAA1010829; GA AV ČR IBS2041105 Institutional research plan: CEZ:AV0Z1010914 Keywords : electron transport * magnetic multilayers * ballistic transport * diffusive transport * disorder Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.327, year: 2002

  10. Electronic transport properties of nanostructured MnSi-films

    Science.gov (United States)

    Schroeter, D.; Steinki, N.; Scarioni, A. Fernández; Schumacher, H. W.; Süllow, S.; Menzel, D.

    2018-05-01

    MnSi, which crystallizes in the cubic B20 structure, shows intriguing magnetic properties involving the existence of skyrmions in the magnetic phase diagram. Bulk MnSi has been intensively investigated and thoroughly characterized, in contrast to MnSi thin film, which exhibits widely varying properties in particular with respect to electronic transport. In this situation, we have set out to reinvestigate the transport properties in MnSi thin films by means of studying nanostructure samples. In particular, Hall geometry nanostructures were produced to determine the intrinsic transport properties.

  11. Techniques to reduce memory requirements for coupled photon-electron transport

    International Nuclear Information System (INIS)

    Turcksin, Bruno; Ragusa, Jean; Morel, Jim

    2011-01-01

    In this work, we present two methods to decrease memory needs while solving the photon- electron transport equation. The coupled transport of electrons and photons is of importance in radiotherapy because it describes the interactions of X-rays with matter. One of the issues of discretized electron transport is that the electron scattering is highly forward peaked. A common approximation is to represent the peak in the scattering cross section by a Dirac distribution. This is convenient, but the integration over all angles of this distribution requires the use of Galerkin quadratures. By construction these quadratures impose that the number of flux moments be equal to the number of directions (number of angular fluxes), which is very demanding in terms of memory. In this study, we show that even if the number of moments is not as large as the number of directions, an accurate solution can be obtained when using Galerkin quadratures. Another method to decrease the memory needs involves choosing an appropriate reordering of the energy groups. We show in this paper that an appropriate alternation of photons/electrons groups allows to rewrite one transport problem of n groups as gcd successive transport problems of n/gcd groups where gcd is the greatest common divisor between the number of photon groups and the number of electron groups. (author)

  12. Electron transport in EBT in the low collision frequency limit

    International Nuclear Information System (INIS)

    Hastings, D.E.

    1983-01-01

    A variational principle formulation is used to calculate the electron neoclassical transport coefficients in a bumpy torus for the low collisionality regime. The electron radial drift is calculated as a function of the plasma position and the poloidal electric field which is determined self-consistently. A bounce-averaged differential collision operator is used and the results are compared to previous treatments using a BGK operator

  13. 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

  14. Microtearing Instabilities and Electron Transport in the NSTX Spherical Tokamak

    International Nuclear Information System (INIS)

    Wong, K.L.; Kaye, S.; Mikkelsen, D.R.; Krommes, J.A.; Hill, K.; Bell, R.; LeBlanc, B.

    2007-01-01

    We report a successful quantitative account of the experimentally determined electron thermal conductivity χ e in a beam-heated H mode plasma by the magnetic fluctuations from microtearing instabilities. The calculated χ e based on existing nonlinear theory agrees with the result from transport analysis of the experimental data. Without using any adjustable parameter, the good agreement spans the entire region where there is a steep electron temperature gradient to drive the instability

  15. Enhanced energy deposition symmetry by hot electron transport

    International Nuclear Information System (INIS)

    Wilson, D.; Mack, J.; Stover, E.; VanHulsteyn, D.; McCall, G.; Hauer, A.

    1981-01-01

    High energy electrons produced by resonance absorption carry the CO 2 laser energy absorbed in a laser fusion pellet. The symmetrization that can be achieved by lateral transport of the hot electrons as they deposit their energy is discussed. A K/sub α/ experiment shows a surprising symmetrization of energy deposition achieved by adding a thin layer of plastic to a copper sphere. Efforts to numerically model this effect are described

  16. Diffusive and convective transport modelling from analysis of ECRH-stimulated electron heat wave propagation

    International Nuclear Information System (INIS)

    Erckmann, V.; Gasparino, U.; Giannone, L.

    1992-01-01

    ECRH power modulation experiments in toroidal devices offer the chance to analyze the electron heat transport more conclusively: the electron heat wave propagation can be observed by ECE (or SX) leading to radial profiles of electron temperature modulation amplitude and time delay (phase shift). Taking also the stationary power balance into account, the local electron heat transport can be modelled by a combination of diffusive and convective transport terms. This method is applied to ECRH discharges in the W7-AS stellarator (B=2.5T, R=2m, a≤18 cm) where the ECRH power deposition is highly localized. In W7-AS, the T e modulation profiles measured by a high resolution ECE system are the basis for the local transport analysis. As experimental errors limit the separation of diffusive and convective terms in the electron heat transport for central power deposition, also ECRH power modulation experiments with off-axis deposition and inward heat wave propagation were performed (with 70 GHz o-mode as well as with 140 GHz x-mode for increased absorption). Because collisional electron-ion coupling and radiative losses are only small, low density ECRH discharges are best candidates for estimating the electron heat flux from power balance. (author) 2 refs., 3 figs

  17. Electron heat transport in shaped TCV L-mode plasmas

    International Nuclear Information System (INIS)

    Camenen, Y; Pochelon, A; Bottino, A; Coda, S; Ryter, F; Sauter, O; Behn, R; Goodman, T P; Henderson, M A; Karpushov, A; Porte, L; Zhuang, G

    2005-01-01

    Electron heat transport experiments are performed in L-mode discharges at various plasma triangularities, using radially localized electron cyclotron heating to vary independently both the electron temperature T e and the normalized electron temperature gradient R/L T e over a large range. Local gyro-fluid (GLF23) and global collisionless gyro-kinetic (LORB5) linear simulations show that, in the present experiments, trapped electron mode (TEM) is the most unstable mode. Experimentally, the electron heat diffusivity χ e is shown to decrease with increasing collisionality, and no dependence of χ e on R/L T e is observed at high R/L T e values. These two observations are consistent with the predictions of TEM simulations, which supports the fact that TEM plays a crucial role in electron heat transport. In addition, over the broad range of positive and negative triangularities investigated, the electron heat diffusivity is observed to decrease with decreasing plasma triangularity, leading to a strong increase of plasma confinement at negative triangularity

  18. Estimation of edge electron temperature profiles via forward modelling of the electron cyclotron radiation transport at ASDEX Upgrade

    International Nuclear Information System (INIS)

    Rathgeber, S K; Barrera, L; Eich, T; Fischer, R; Suttrop, W; Wolfrum, E; Nold, B; Willensdorfer, M

    2013-01-01

    We present a method to obtain reliable edge profiles of the electron temperature by forward modelling of the electron cyclotron radiation transport. While for the core of ASDEX Upgrade plasmas, straightforward analysis of electron cyclotron intensity measurements based on the optically thick plasma approximation is usually justified, reasonable analysis of the steep and optically thin plasma edge needs to consider broadened emission and absorption profiles and radiation transport processes. This is carried out in the framework of integrated data analysis which applies Bayesian probability theory for joint analysis of the electron density and temperature with data of different interdependent and complementary diagnostics. By this means, electron cyclotron radiation intensity delivers highly spatially resolved electron temperature data for the plasma edge. In H-mode, the edge gradient of the electron temperature can be several times higher than the one of the radiation temperature. Furthermore, we are able to reproduce the ‘shine-through’ peak—the observation of increased radiation temperatures at frequencies resonant in the optically thin scrape-off layer. This phenomenon is caused by strongly down-shifted radiation of Maxwellian tail electrons located in the H-mode edge region and, therefore, contains valuable information about the electron temperature edge gradient. (paper)

  19. Drafting method of electricity and electron design

    International Nuclear Information System (INIS)

    Gungbon, Junchun

    1989-11-01

    This book concentrates on drafting of electricity and electron design. It deals with The meaning of electricity and electron drafting JIS standard regulation the types of drafting and line and letter, basics drafting with projection drafting method, plan projection and development elevation, Drafting method of shop drawing, practical method of design and drafting, Design and drafting of technic and illustration, Connection diagram, Drafting of wiring diagram for light and illumination, Drafting of development connection diagram for sequence control, Drafting of logic circuit sign of flow chart and manual, drafting for a electron circuit diagram and Drawing of PC board.

  20. The energetic alpha particle transport method EATM

    International Nuclear Information System (INIS)

    Kirkpatrick, R.C.

    1998-02-01

    The EATM method is an evolving attempt to find an efficient method of treating the transport of energetic charged particles in a dynamic magnetized (MHD) plasma for which the mean free path of the particles and the Larmor radius may be long compared to the gradient lengths in the plasma. The intent is to span the range of parameter space with the efficiency and accuracy thought necessary for experimental analysis and design of magnetized fusion targets

  1. Monte Carlo method in radiation transport problems

    International Nuclear Information System (INIS)

    Dejonghe, G.; Nimal, J.C.; Vergnaud, T.

    1986-11-01

    In neutral radiation transport problems (neutrons, photons), two values are important: the flux in the phase space and the density of particles. To solve the problem with Monte Carlo method leads to, among other things, build a statistical process (called the play) and to provide a numerical value to a variable x (this attribution is called score). Sampling techniques are presented. Play biasing necessity is proved. A biased simulation is made. At last, the current developments (rewriting of programs for instance) are presented due to several reasons: two of them are the vectorial calculation apparition and the photon and neutron transport in vacancy media [fr

  2. Survey of electronic payment methods and systems

    NARCIS (Netherlands)

    Havinga, Paul J.M.; Smit, Gerardus Johannes Maria; Helme, A.; Verbraeck, A.

    1996-01-01

    In this paper an overview of electronic payment methods and systems is given. This survey is done as part of the Moby Dick project. Electronic payment systems can be grouped into three broad classes: traditional money transactions, digital currency and creditdebit payments. Such payment systems have

  3. Electron-vibron coupling effects on electron transport via a single-molecule magnet

    NARCIS (Netherlands)

    McCaskey, A.; Yamamoto, Y.; Warnock, M.; Burzuri, E.; Van der Zant, H.S.J.; Park, K.

    2015-01-01

    We investigate how the electron-vibron coupling influences electron transport via an anisotropic magnetic molecule, such as a single-molecule magnet (SMM) Fe4, by using a model Hamiltonian with parameter values obtained from density-functional theory (DFT). The magnetic anisotropy parameters,

  4. Nonequilibrium Electron Transport Through a Quantum Dot from Kubo Formula

    International Nuclear Information System (INIS)

    Lue Rong; Zhang Guangming

    2005-01-01

    Based on the Kubo formula for an electron tunneling junction, we revisit the nonequilibrium transport properties through a quantum dot. Since the Fermi level of the quantum dot is set by the conduction electrons of the leads, we calculate the electron current from the left side by assuming the quantum dot coupled to the right lead as another side of the tunneling junction, and the other way round is used to calculate the current from the right side. By symmetrizing these two currents, an effective local density states on the dot can be obtained, and is discussed at high and low temperatures, respectively.

  5. 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)

  6. 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.

  7. Anticancer Drugs Targeting the Mitochondrial Electron Transport Chain

    Czech Academy of Sciences Publication Activity Database

    Rohlena, Jakub; Dong, L.-F.; Ralph, S.J.; Neužil, Jiří

    2011-01-01

    Roč. 15, č. 12 (2011), s. 2951-2974 ISSN 1523-0864 R&D Projects: GA AV ČR(CZ) KAN200520703 Institutional research plan: CEZ:AV0Z50520701 Keywords : Targets for anticancer drugs * mitochondrial electron transport chain * mitocans Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 8.456, year: 2011

  8. 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

  9. Electron spin transport in graphene and carbon nanotubes

    NARCIS (Netherlands)

    Tombros, Nikolaos

    2008-01-01

    Electron spin transport in grafeen en in koolstof nanobuisjes Grafeen, is een kristaal laag van koolstof atomen die slechts één atoomlaag dik is. Een koolstof nanobuisje is te verkrijgen door een grafeen laag op te rollen. In dit proefschrift laten we zien, met behulp van experimenten, dat deze

  10. Molecular electronics: insight from first-principles transport simulations.

    Science.gov (United States)

    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 affect the electronic transport. Here we describe key computational ingredients and discuss these in relation to simulations for scanning tunneling microscopy (STM) experiments with C60 molecules where the experimental geometry is well characterized. We then show how molecular dynamics simulations may be combined with transport calculations to study more irregular situations, such as the evolution of a nanoscale contact with the mechanically controllable break-junction technique. Finally we discuss calculations of inelastic electron tunnelling spectroscopy as a characterization technique that reveals information about the atomic arrangement and transport channels.

  11. Scientific Computation Application Partnerships in Materials and Chemical Sciences, Charge Transfer and Charge Transport in Photoactivated Systems, Developing Electron-Correlated Methods for Excited State Structure and Dynamics in the NWChem Software Suite

    Energy Technology Data Exchange (ETDEWEB)

    Cramer, Christopher J. [Univ. of Minnesota, Minneapolis, MN (United States)

    2017-11-12

    Charge transfer and charge transport in photoactivated systems are fundamental processes that underlie solar energy capture, solar energy conversion, and photoactivated catalysis, both organometallic and enzymatic. We developed methods, algorithms, and software tools needed for reliable treatment of the underlying physics for charge transfer and charge transport, an undertaking with broad applicability to the goals of the fundamental-interaction component of the Department of Energy Office of Basic Energy Sciences and the exascale initiative of the Office of Advanced Scientific Computing Research.

  12. 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.

  13. Achromatic and isochronous electron beam transport for tunable free electron lasers

    International Nuclear Information System (INIS)

    Bengtsson, J.; Kim, K.J.

    1991-09-01

    We have continued the study of a suitable electron beam transport line, which is both isochronous and achromatic, for the free electron laser being designed at Lawrence Berkeley Laboratory. A refined version of the beam transport optics is discussed that accommodates two different modes of FEL wavelength tuning. For the fine tuning involving a small change of the electron beam energy, sextupoles are added to cancel the leading nonlinear dispersion. For the main tuning involving the change of the undulator gap, a practical solution of maintaining the beam matching condition is presented. Calculation of the higher order aberrations is facilitated by a newly developed code. 11 refs., 4 figs., 3 tabs

  14. Electron transfer activation of a second water channel for proton transport in [FeFe]-hydrogenase

    Energy Technology Data Exchange (ETDEWEB)

    Sode, Olaseni; Voth, Gregory A., E-mail: gavoth@uchicago.edu [Department of Chemistry, James Franck Institute, Institute for Biophysical Dynamics, Computation Institute, The University of Chicago, Chicago, Illinois 60637, USA and Computing, Environment and Life Sciences, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2014-12-14

    Hydrogenase enzymes are important because they can reversibly catalyze the production of molecular hydrogen. Proton transport mechanisms have been previously studied in residue pathways that lead to the active site of the enzyme via residues Cys299 and Ser319. The importance of this pathway and these residues has been previously exhibited through site-specific mutations, which were shown to interrupt the enzyme activity. It has been shown recently that a separate water channel (WC2) is coupled with electron transport to the active site of the [FeFe]-hydrogenase. The water-mediated proton transport mechanisms of the enzyme in different electronic states have been studied using the multistate empirical valence bond reactive molecular dynamics method, in order to understand any role WC2 may have in facilitating the residue pathway in bringing an additional proton to the enzyme active site. In a single electronic state A{sup 2−}, a water wire was formed through which protons can be transported with a low free energy barrier. The remaining electronic states were shown, however, to be highly unfavorable to proton transport in WC2. A double amino acid substitution is predicted to obstruct proton transport in electronic state A{sup 2-} by closing a cavity that could otherwise fill with water near the proximal Fe of the active site.

  15. Electron transfer activation of a second water channel for proton transport in [FeFe]-hydrogenase

    International Nuclear Information System (INIS)

    Sode, Olaseni; Voth, Gregory A.

    2014-01-01

    Hydrogenase enzymes are important because they can reversibly catalyze the production of molecular hydrogen. Proton transport mechanisms have been previously studied in residue pathways that lead to the active site of the enzyme via residues Cys299 and Ser319. The importance of this pathway and these residues has been previously exhibited through site-specific mutations, which were shown to interrupt the enzyme activity. It has been shown recently that a separate water channel (WC2) is coupled with electron transport to the active site of the [FeFe]-hydrogenase. The water-mediated proton transport mechanisms of the enzyme in different electronic states have been studied using the multistate empirical valence bond reactive molecular dynamics method, in order to understand any role WC2 may have in facilitating the residue pathway in bringing an additional proton to the enzyme active site. In a single electronic state A 2− , a water wire was formed through which protons can be transported with a low free energy barrier. The remaining electronic states were shown, however, to be highly unfavorable to proton transport in WC2. A double amino acid substitution is predicted to obstruct proton transport in electronic state A 2- by closing a cavity that could otherwise fill with water near the proximal Fe of the active site

  16. Electron collision cross sections and transport parameters in Cl2

    International Nuclear Information System (INIS)

    Pinhao, N.; Chouki, A.

    1995-01-01

    Molecular chlorine, Cl 2 , is a widely used gas with important application in gas discharge physics, namely in plasma etching, UV lasers and gas-filled particle detectors. However, due to experimental difficulties and to a complicated electronic spectrum, only some of the electron collision cross section have been measured and only recently the electronic structure has been resolved. This situation hampered the theoretical analysis of chlorine mixtures by a lack of relevant transport parameters. To our best knowledge there is only one published measurement of electron drift velocity and characteristic energy. Regrettably these data are considered of doubtful quality. There is also only one measurement of attachment and ionisation coefficients and one published set of cross sections. However those authors used the transport data from a He-Cl 2 mixture (80/20) where chlorine's effect can be hidden by the other component. Consequently that set is not completely consistent with the measurements in pure chlorine. This paper presents a new proposal of a consistent set of electron collision cross sections and the corresponding transport parameters and collision frequencies

  17. 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.

  18. Development of numerical methods for reactive transport

    International Nuclear Information System (INIS)

    Bouillard, N.

    2006-12-01

    When a radioactive waste is stored in deep geological disposals, it is expected that the waste package will be damaged under water action (concrete leaching, iron corrosion). Then, to understand these damaging processes, chemical reactions and solutes transport are modelled. Numerical simulations of reactive transport can be done sequentially by the coupling of several codes. This is the case of the software platform ALLIANCES which is developed jointly with CEA, ANDRA and EDF. Stiff reactions like precipitation-dissolution are crucial for the radioactive waste storage applications, but standard sequential iterative approaches like Picard's fail in solving rapidly reactive transport simulations with such stiff reactions. In the first part of this work, we focus on a simplified precipitation and dissolution process: a system made up with one solid species and two aqueous species moving by diffusion is studied mathematically. It is assumed that a precipitation dissolution reaction occurs in between them, and it is modelled by a discontinuous kinetics law of unknown sign. By using monotonicity properties, the convergence of a finite volume scheme on admissible mesh is proved. Existence of a weak solution is obtained as a by-product of the convergence of the scheme. The second part is dedicated to coupling algorithms which improve Picard's method and can be easily used in an existing coupling code. By extending previous works, we propose a general and adaptable framework to solve nonlinear systems. Indeed by selecting special options, we can either recover well known methods, like nonlinear conjugate gradient methods, or design specific method. This algorithm has two main steps, a preconditioning one and an acceleration one. This algorithm is tested on several examples, some of them being rather academical and others being more realistic. We test it on the 'three species model'' example. Other reactive transport simulations use an external chemical code CHESS. For a

  19. Numerical methods: Analytical benchmarking in transport theory

    International Nuclear Information System (INIS)

    Ganapol, B.D.

    1988-01-01

    Numerical methods applied to reactor technology have reached a high degree of maturity. Certainly one- and two-dimensional neutron transport calculations have become routine, with several programs available on personal computer and the most widely used programs adapted to workstation and minicomputer computational environments. With the introduction of massive parallelism and as experience with multitasking increases, even more improvement in the development of transport algorithms can be expected. Benchmarking an algorithm is usually not a very pleasant experience for the code developer. Proper algorithmic verification by benchmarking involves the following considerations: (1) conservation of particles, (2) confirmation of intuitive physical behavior, and (3) reproduction of analytical benchmark results. By using today's computational advantages, new basic numerical methods have been developed that allow a wider class of benchmark problems to be considered

  20. Electron heat transport analysis of low-collisionality plasmas in the neoclassical-transport-optimized configuration of LHD

    International Nuclear Information System (INIS)

    Murakami, Sadayoshi; Yamada, Hiroshi; Wakasa, Arimitsu

    2002-01-01

    Electron heat transport in low-collisionality LHD plasma is investigated in order to study the neoclassical transport optimization effect on thermal plasma transport with an optimization level typical of so-called ''advanced stellarators''. In the central region, a higher electron temperature is obtained in the optimized configuration, and transport analysis suggests the considerable effect of neoclassical transport on the electron heat transport assuming the ion-root level of radial electric field. The obtained experimental results support future reactor design in which the neoclassical and/or anomalous transports are reduced by magnetic field optimization in a non-axisymmetric configuration. (author)

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

    International Nuclear Information System (INIS)

    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

  2. Electron and ion beam transport to fusion targets

    International Nuclear Information System (INIS)

    Freeman, J.R.; Baker, L.; Miller, P.A.; Mix, L.P.; Olsen, J.N.; Poukey, J.W.; Wright, T.P.

    1979-01-01

    ICF reactors have been proposed which incorporate a gas-filled chamber to reduce x-ray and debris loading of the first wall. Focused beams of either electrons or ions must be transported efficiently for 2-4 m to a centrally located fusion target. Laser-initiated current-carrying plasma discharge channels provide the guiding magnetic field and the charge- and current-neutralizing medium required for beam propagation. Computational studies of plasma channel formation in air using a 1-D MHD model with multigroup radiation diffusion have provided a good comparison with the expansions velocity and time dependent refractivity profile determined by holographic interferometry. Trajectory calculations have identified a beam expansion mechanism which combines with the usual ohmic dissipation to reduce somewhat the transported beam fluence for electrons. Additional trajectory calculations have been performed for both electrons and light ions to predict the limits on the particle current density which can be delivered to a central target by overlapping the many independently-generated beams. Critical features of the use of plasma channels for transport and overlap of charged particle beams are being tested experimentally with up to twelve electron beams from the Proto II accelerator

  3. Discrete elements method of neutral particle transport

    International Nuclear Information System (INIS)

    Mathews, K.A.

    1983-01-01

    A new discrete elements (L/sub N/) transport method is derived and compared to the discrete ordinates S/sub N/ method, theoretically and by numerical experimentation. The discrete elements method is more accurate than discrete ordinates and strongly ameliorates ray effects for the practical problems studied. The discrete elements method is shown to be more cost effective, in terms of execution time with comparable storage to attain the same accuracy, for a one-dimensional test case using linear characteristic spatial quadrature. In a two-dimensional test case, a vacuum duct in a shield, L/sub N/ is more consistently convergent toward a Monte Carlo benchmark solution than S/sub N/, using step characteristic spatial quadrature. An analysis of the interaction of angular and spatial quadrature in xy-geometry indicates the desirability of using linear characteristic spatial quadrature with the L/sub N/ method

  4. 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.

  5. Semiclassical electronic transport in MnAs thin films

    International Nuclear Information System (INIS)

    Helman, C.; Milano, J.; Steren, L.; Llois, A.M.

    2008-01-01

    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

  6. 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.

  7. Electronic transport behavior of diameter-graded Ag nanowires

    International Nuclear Information System (INIS)

    Wang Xuewei; Yuan Zhihao

    2010-01-01

    Ag nanowires with a graded diameter in anodic aluminum oxide (AAO) membranes were fabricated by the direct-current electrodeposition. The Ag nanowires have a graded-change in diameter from 8 to 32 nm, which is matched with the graded-change of the AAO pore diameter. Electronic transport measurements show that there is a transport behavior similar to that of a metal-semiconductor junction along the axial direction in the diameter-graded Ag nanowires. Such a novel homogeneous nanojunction will be of great fundamental and practical significance.

  8. Electronic transport behavior of diameter-graded Ag nanowires

    Science.gov (United States)

    Wang, Xue Wei; Yuan, Zhi Hao

    2010-05-01

    Ag nanowires with a graded diameter in anodic aluminum oxide (AAO) membranes were fabricated by the direct-current electrodeposition. The Ag nanowires have a graded-change in diameter from 8 to 32 nm, which is matched with the graded-change of the AAO pore diameter. Electronic transport measurements show that there is a transport behavior similar to that of a metal-semiconductor junction along the axial direction in the diameter-graded Ag nanowires. Such a novel homogeneous nanojunction will be of great fundamental and practical significance.

  9. Anomalous plasma transport due to electron temperature gradient instability

    International Nuclear Information System (INIS)

    Tokuda, Sinji; Ito, Hiroshi; Kamimura, Tetsuo.

    1979-01-01

    The collisionless drift wave instability driven by an electron temperature inhomogeneity (electron temperature gradient instability) and the enhanced transport processes associated with it are studied using a two-and-a-half dimensional particle simulation code. The simulation results show that quasilinear diffusion in phase space is an important mechanism for the saturation of the electron temperature gradient instability. Also, the instability yields particle fluxes toward the hot plasma regions. The heat conductivity of the electron temperature perpendicular to the magnetic field, T sub(e'), is not reduced by magnetic shear but remains high, whereas the heat conductivity of the parallel temperature, T sub(e''), is effectively reduced, and the instability stabilized. (author)

  10. Transition phenomena and thermal transport property in LHD plasmas with an electron internal transport barrier

    International Nuclear Information System (INIS)

    Shimozuma, T.; Kubo, S.; Idei, H.

    2005-01-01

    Two kinds of improved core confinement were observed during centrally focused Electron Cyclotron Heating (ECH) into plasmas sustained by Counter (CNTR) and Co Neutral Beam Injections (NBI) in the Large Helical Device (LHD). One shows transition phenomena to the high-electron-temperature state and has a clear electron Internal Transport Barrier (eITB) in CNTR NBI plasma. Another has no clear transition and no ECH power threshold, but shows a broad high temperature profiles with moderate temperature gradient, which indicates the improved core confinement with additional ECH in Co NBI plasma. The electron heat transport characteristics of these plasmas were directly investigated by using the heat pulse propagation excited by Modulated ECH (MECH). The difference of the features could be caused by the existence of the m/n=2/1 rational surface or island determined by the direction of NBI beam-driven current. (author)

  11. Transition phenomena and thermal transport properties in LHD plasmas with an electron internal transport barrier

    International Nuclear Information System (INIS)

    Shimozuma, T.; Kubo, S.; Idei, H.; Inagaki, S.; Tamura, N.; Tokuzawa, T.; Morisaki, T.; Watanabe, K.Y.; Ida, K.; Yamada, I.; Narihara, K.; Muto, S.; Yokoyama, M.; Yoshimura, Y.; Notake, T.; Ohkubo, K.; Seki, T.; Saito, K.; Kumazawa, R.; Mutoh, T.; Watari, T.; Komori, A.

    2005-01-01

    Two types of improved core confinement were observed during centrally focused electron cyclotron heating (ECH) into plasmas sustained by counter (CNTR) and Co neutral beam injections (NBI) in the Large Helical Device. The CNTR NBI plasma displayed transition phenomena to the high-electron-temperature state and had a clear electron internal transport barrier, while the Co NBI plasma did not show a clear transition or an ECH power threshold but showed broad high temperature profiles with moderate temperature gradient. This indicated that the Co NBI plasma with additional ECH also had an improved core confinement. The electron heat transport characteristics of these plasmas were directly investigated using heat pulse propagation excited by modulated ECH. These effects appear to be related to the m/n = 2/1 rational surface or the island induced by NBI beam-driven current

  12. Method of fabricating a cooled electronic system

    Science.gov (United States)

    Chainer, Timothy J; Gaynes, Michael A; Graybill, David P; Iyengar, Madhusudan K; Kamath, Vinod; Kochuparambil, Bejoy J; Schmidt, Roger R; Schultz, Mark D; Simco, Daniel P; Steinke, Mark E

    2014-02-11

    A method of fabricating a liquid-cooled electronic system is provided which includes an electronic assembly having an electronics card and a socket with a latch at one end. The latch facilitates securing of the card within the socket. The method includes providing a liquid-cooled cold rail at the one end of the socket, and a thermal spreader to couple the electronics card to the cold rail. The thermal spreader includes first and second thermal transfer plates coupled to first and second surfaces on opposite sides of the card, and thermally conductive extensions extending from end edges of the plates, which couple the respective transfer plates to the liquid-cooled cold rail. The extensions are disposed to the sides of the latch, and the card is securable within or removable from the socket using the latch without removing the cold rail or the thermal spreader.

  13. Electron density measurements during ion beam transport on Gamble II

    International Nuclear Information System (INIS)

    Weber, B.V.; Hinshelwood, D.D.; Neri, J.M.; Ottinger, P.F.; Rose, D.V.; Stephanakis, S.J.; Young, F.C.

    1999-01-01

    High-sensitivity laser interferometry was used to measure the electron density created when an intense proton beam (100 kA, 1 MeV, 50 ns) from the Gamble II generator was transported through low-pressure gas as part of a project investigating Self-Pinched Transport (SPT) of intense ion beams. This measurement is non-perturbing and sufficiently quantitative to allow benchmarking of codes (particularly IPROP) used to model beam-gas interaction and ion-beam transport. Very high phase sensitivity is required for this measurement. For example, a 100-kA, 1-MeV, 10-cm-radius proton beam with uniform current density has a line-integrated proton density equal to n b L = 3 x 10 13 cm -2 . An equal electron line-density, n e L = n b L, (expected for transport in vacuum) will be detected as a phase shift of the 1.064 microm laser beam of only 0.05degree, or an optical path change of 1.4 x 10 -4 waves (about the size of a hydrogen atom). The time-history of the line-integrated electron density, measured across a diameter of the transport chamber at 43 cm from the input aperture, starts with the proton arrival time and decays differently depending on the gas pressure. The gas conditions included vacuum (10 -4 Torr air), 30 to 220 mTorr He, and 1 Torr air. The measured densities vary by three orders of magnitude, from 10 13 to 10 16 cm -2 for the range of gas pressures investigated. In vacuum, the measured electron densities indicate only co-moving electrons (n e L approximately n b L). In He, when the gas pressure is sufficient for ionization by beam particles and SPT is observed, n e L increases to about 10 n b L. At even higher pressures where electrons contribute to ionization, even higher electron densities are observed with an ionization fraction of about 2%. The diagnostic technique as used on the SPT experiment will be described and a summary of the results will be given. The measurements are in reasonable agreement with theoretical predictions from the IPROP code

  14. Research on new methods in transport theory

    International Nuclear Information System (INIS)

    Stefanovicj, D.

    1975-01-01

    Neutron transport theory is the basis for development of reactor theory and reactor calculational methods. It has to be acknowledged that recent applications of these disciplines have influenced considerably the development of power reactor concepts and technology. However, these achievements were implemented in a rather heuristic way, since the satisfaction of design demands were of utmost importance. Often this kind of approach turns out to be very restrictive and not even adequate for rather typical reactor applications. Many aspects and techniques of reactor theory and calculations ought to be reevaluated and/or reformulated on the more sound physical and mathematical foundations. At the same time, new reactor concepts and operational demands give rise to more sophisticated and complex design requirements. These new requirements can be met only by the development of new design techniques, which in the case of reactor neutronic calculation lead directly to the advanced transport theory methods. In addition, the rapid development of computer technology opens new opportunities for applications of advanced transport theory in practical calculations

  15. Transport of a nonneutral electron plasma due to electron collisions with neutral atoms

    International Nuclear Information System (INIS)

    Douglas, M.H.; O'Neil, T.M.

    1978-01-01

    Transport of a nonneutral electron plasma across a magnetic field is caused by electron scattering from ambient neutral atoms. A theoretical model of such transport is presented, assuming the plasma is quiescent and the scattering is elastic scattering from infinite mass scattering centers of constant momentum transfer cross section. This model is motivated by recent experiments. A reduced transport equation is obtained by expanding the Boltzmann equation for the electron distribution in inverse powers of the magnetic field. The equation together with Poisson's equation for the radial electric field, which must exist in a nonneutral column, determine the evolution of the system. When these two equations are properly scaled, they contain only a single parameter: the ratio of initial Debye length to initial column radius. For cases where this parameter is either large or small, analytical solutions, or at least partial solutions, are obtained. For intermediate values of the parameter, numerical solutions are obtained

  16. First-principles method for electron-phonon coupling and electron mobility

    DEFF Research Database (Denmark)

    Gunst, Tue; Markussen, Troels; Stokbro, Kurt

    2016-01-01

    We present density functional theory calculations of the phonon-limited mobility in n-type monolayer graphene, silicene, and MoS2. The material properties, including the electron-phonon interaction, are calculated from first principles. We provide a detailed description of the normalized full......-band relaxation time approximation for the linearized Boltzmann transport equation (BTE) that includes inelastic scattering processes. The bulk electron-phonon coupling is evaluated by a supercell method. The method employed is fully numerical and does therefore not require a semianalytic treatment of part...... of the problem and, importantly, it keeps the anisotropy information stored in the coupling as well as the band structure. In addition, we perform calculations of the low-field mobility and its dependence on carrier density and temperature to obtain a better understanding of transport in graphene, silicene...

  17. Experimental study of fast electron transport in dense plasmas

    International Nuclear Information System (INIS)

    Vaisseau, Xavier

    2014-01-01

    The framework of this PhD thesis is the inertial confinement fusion for energy production, in the context of the electron fast ignition scheme. The work consists in a characterization of the transport mechanisms of fast electrons, driven by intense laser pulses (10 19 - 10 20 W/cm 2 ) in both cold-solid and warm-dense matter. The first goal was to study the propagation of a fast electron beam, characterized by a current density ≥ 10 11 A/cm 2 , in aluminum targets initially heated close to the Fermi temperature by a counter-propagative planar shock. The planar compression geometry allowed us to discriminate the energy losses due to the resistive mechanisms from collisional ones by comparing solid and compressed targets of the same initial areal densities. We observed for the first time a significant increase of resistive energy losses in heated aluminum samples. The confrontation of the experimental data with the simulations, including a complete characterization of the electron source, of the target compression and of the fast electron transport, allowed us to study the time-evolution of the material resistivity. The estimated resistive electron stopping power in a warm-compressed target is of the same order as the collisional one. We studied the transport of the fast electrons generated in the interaction of a high-contrast laser pulse with a hollow copper cone, buried into a carbon layer, compressed by a counter-propagative planar shock. A X-ray imaging system allowed us to visualize the coupling of the laser pulse with the cone at different moments of the compression. This diagnostic, giving access to the fast electron spatial distribution, showed a fast electron generation in the entire volume of the cone for late times of compression, after shock breakout from the inner cone tip. For earlier times, the interaction at a high-contrast ensured that the source was contained within the cone tip, and the fast electron beam was collimated into the target depth by

  18. Does menaquinone participate in brain astrocyte electron transport?

    Science.gov (United States)

    Lovern, Douglas; Marbois, Beth

    2013-10-01

    Quinone compounds act as membrane resident carriers of electrons between components of the electron transport chain in the periplasmic space of prokaryotes and in the mitochondria of eukaryotes. Vitamin K is a quinone compound in the human body in a storage form as menaquinone (MK); distribution includes regulated amounts in mitochondrial membranes. The human brain, which has low amounts of typical vitamin K dependent function (e.g., gamma carboxylase) has relatively high levels of MK, and different regions of brain have different amounts. Coenzyme Q (Q), is a quinone synthesized de novo, and the levels of synthesis decline with age. The levels of MK are dependent on dietary intake and generally increase with age. MK has a characterized role in the transfer of electrons to fumarate in prokaryotes. A newly recognized fumarate cycle has been identified in brain astrocytes. The MK precursor menadione has been shown to donate electrons directly to mitochondrial complex III. Vitamin K compounds function in the electron transport chain of human brain astrocytes. Copyright © 2013 Elsevier Ltd. All rights reserved.

  19. 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

  20. Electron transport in ethanol & methanol absorbed defected graphene

    Science.gov (United States)

    Dandeliya, Sushmita; Srivastava, Anurag

    2018-05-01

    In the present paper, the sensitivity of ethanol and methanol molecules on surface of single vacancy defected graphene has been investigated using density functional theory (DFT). The changes in structural and electronic properties before and after adsorption of ethanol and methanol were analyzed and the obtained results show high adsorption energy and charge transfer. High adsorption happens at the active site with monovacancy defect on graphene surface. Present work confirms that the defected graphene increases the surface reactivity towards ethanol and methanol molecules. The presence of molecules near the active site affects the electronic and transport properties of defected graphene which makes it a promising choice for designing methanol and ethanol sensor.

  1. 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,

  2. Electron transport in the stochastic fields of RFP ZT-40M

    International Nuclear Information System (INIS)

    Punjabi, A.; Verma, A.; Kim, Myung-Hee; Boozer, A.

    1991-01-01

    In this paper, we use our newly developed Monte Carlo Method to study the transport of electrons in stochastic magnetic fields of the device RFP ZT4OM. The results of this calculation will be compared with the Rechester-Rosenbluth scaling

  3. SPHERE: a spherical-geometry multimaterial electron/photon Monte Carlo transport code

    International Nuclear Information System (INIS)

    Halbleib, J.A. Sr.

    1977-06-01

    SPHERE provides experimenters and theorists with a method for the routine solution of coupled electron/photon transport through multimaterial configurations possessing spherical symmetry. Emphasis is placed upon operational simplicity without sacrificing the rigor of the model. SPHERE combines condensed-history electron Monte Carlo with conventional single-scattering photon Monte Carlo in order to describe the transport of all generations of particles from several MeV down to 1.0 and 10.0 keV for electrons and photons, respectively. The model is more accurate at the higher energies, with a less rigorous description of the particle cascade at energies where the shell structure of the transport media becomes important. Flexibility of construction permits the user to tailor the model to specific applications and to extend the capabilities of the model to more sophisticated applications through relatively simple update procedures. 8 figs., 3 tables

  4. Electronic transport for armchair graphene nanoribbons with a potential barrier

    International Nuclear Information System (INIS)

    Ben-Hu, Zhou; Ben-Liang, Zhou; Guang-Hui, Zhou; Zi-Gang, Duan

    2010-01-01

    This paper studies the electronic transport property through a square potential barrier in armchair-edge graphene nanoribbon (AGNR). Using the Dirac equation with the continuity condition for wave functions at the interfaces between regions with and without a barrier, we calculate the mode-dependent transmission probability for both semiconducting and metallic AGNRs, respectively. It is shown that, by some numerical examples, the transmission probability is generally an oscillating function of the height and range of the barrier for both types of AGNRs. The main difference between the two types of systems is that the magnitude of oscillation for the semiconducting AGNR is larger than that for the metallic one. This fact implies that the electronic transport property for AGNRs depends sensitively on their widths and edge details due to the Dirac nature of fermions in the system

  5. Electron effects in the Neutralized Transport Experiment (NTX)

    Energy Technology Data Exchange (ETDEWEB)

    Eylon, S. [Lawrence Berkeley National Laboratory (LBNL), MS47R 0112, 1 Cyclotron Road, Berkeley, CA 94720 (United States) and Heavy Ion Fusion Virtual National Laboratory, Cyclotron Road, CA 94720 (United States)]. E-mail: S_Eylon@lbl.gov; Henestroza, E. [Lawrence Berkeley National Laboratory (LBNL), MS47R 0112, 1 Cyclotron Road, Berkeley, CA 94720 (United States); Heavy Ion Fusion Virtual National Laboratory, Cyclotron Road, CA 94720 (United States); Roy, P.K. [Lawrence Berkeley National Laboratory (LBNL), MS47R 0112, 1 Cyclotron Road, Berkeley, CA 94720 (United States); Heavy Ion Fusion Virtual National Laboratory, Cyclotron Road, CA 94720 (United States); Yu, S.S. [Lawrence Berkeley National Laboratory (LBNL), MS47R 0112, 1 Cyclotron Road, Berkeley, CA 94720 (United States); Heavy Ion Fusion Virtual National Laboratory, Cyclotron Road, CA 94720 (United States)

    2005-05-21

    The Neutralized Transport Experiment (NTX) at the Heavy Ion Fusion Virtual National Laboratory is exploring the performance of neutralized final focus systems for high-perveance heavy ion beams. To focus a high-intensity beam to a small spot requires a high-brightness beam. In the NTX experiment, a potassium ion beam of up to 400 keV and 80 mA is generated in a Pierce-type diode. At the diode exit, an aperture with variable opening provides the capability to vary the beam perveance. The beam is transported through four quadrupole magnets to a distance of 2.5 m. The beam can be neutralized and focused using a MEVVA plasma plug and a RF plasma source. We shall report on the measurement of the electron effects and the ways to mitigate the effects. Furthermore, we shall present the results of EGUN calculations consistent with the measurements effects of the electrons.

  6. Electron effects in the Neutralized Transport Experiment (NTX)

    International Nuclear Information System (INIS)

    Eylon, S.; Henestroza, E.; Roy, P.K.; Yu, S.S.

    2005-01-01

    The Neutralized Transport Experiment (NTX) at the Heavy Ion Fusion Virtual National Laboratory is exploring the performance of neutralized final focus systems for high-perveance heavy ion beams. To focus a high-intensity beam to a small spot requires a high-brightness beam. In the NTX experiment, a potassium ion beam of up to 400 keV and 80 mA is generated in a Pierce-type diode. At the diode exit, an aperture with variable opening provides the capability to vary the beam perveance. The beam is transported through four quadrupole magnets to a distance of 2.5 m. The beam can be neutralized and focused using a MEVVA plasma plug and a RF plasma source. We shall report on the measurement of the electron effects and the ways to mitigate the effects. Furthermore, we shall present the results of EGUN calculations consistent with the measurements effects of the electrons

  7. Electron effects in the Neutralized Transport Experiment (NTX)

    Science.gov (United States)

    Eylon, S.; Henestroza, E.; Roy, P. K.; Yu, S. S.

    2005-05-01

    The Neutralized Transport Experiment (NTX) at the Heavy Ion Fusion Virtual National Laboratory is exploring the performance of neutralized final focus systems for high-perveance heavy ion beams. To focus a high-intensity beam to a small spot requires a high-brightness beam. In the NTX experiment, a potassium ion beam of up to 400 keV and 80 mA is generated in a Pierce-type diode. At the diode exit, an aperture with variable opening provides the capability to vary the beam perveance. The beam is transported through four quadrupole magnets to a distance of 2.5 m. The beam can be neutralized and focused using a MEVVA plasma plug and a RF plasma source. We shall report on the measurement of the electron effects and the ways to mitigate the effects. Furthermore, we shall present the results of EGUN calculations consistent with the measurements effects of the electrons.

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

    Science.gov (United States)

    Bauer, Sebastian; Bobisch, Christian A.

    2016-04-01

    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.

  9. Two-point model for electron transport in EBT

    International Nuclear Information System (INIS)

    Chiu, S.C.; Guest, G.E.

    1980-01-01

    The electron transport in EBT is simulated by a two-point model corresponding to the central plasma and the edge. The central plasma is assumed to obey neoclassical collisionless transport. The edge plasma is assumed turbulent and modeled by Bohm diffusion. The steady-state temperatures and densities in both regions are obtained as functions of neutral influx and microwave power. It is found that as the neutral influx decreases and power increases, the edge density decreases while the core density increases. We conclude that if ring instability is responsible for the T-M mode transition, and if stability is correlated with cold electron density at the edge, it will depend sensitively on ambient gas pressure and microwave power

  10. Nonlinear features of the electron temperature gradient mode and electron thermal transport in tokamaks

    International Nuclear Information System (INIS)

    Kaw, P.K.; Singh, R.; Weiland, J.G.

    2001-01-01

    Analytical investigations of several linear and nonlinear features of ETG turbulence are reported. The linear theory includes effects such as finite beta induced electromagnetic shielding, coupling to electron magnetohydrodynamic modes like whistlers etc. It is argued that nonlinearly, turbulence and transport are dominated by radially extended modes called 'streamers'. A nonlinear mechanism generating streamers based on a modulational instability theory of the ETG turbulence is also presented. The saturation levels of the streamers using a Kelvin Helmholtz secondary instability mechanism are calculated and levels of the electron thermal transport due to streamers are estimated. (author)

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

    International Nuclear Information System (INIS)

    O'Dwyer, C.; Lavayen, V.; Clavijo-Cedeno, C.; Torres, C.M.S.

    2008-01-01

    The electron beam induced electronic transport in primary alkyl amine-intercalated V 2 O 5 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 demonstrate that the high conductivity of the nanotubes is related to the non-resonant tunnelling through the amine molecules and a reduced polaron hopping conduction through the vanadium oxide itself. Both nanotube networks and individual nanotubes exhibit similarly high conductivities where the minority carrier transport is bias dependent and nanotube diameter invariant. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. Stable solutions of nonlocal electron heat transport equations

    International Nuclear Information System (INIS)

    Prasad, M.K.; Kershaw, D.S.

    1991-01-01

    Electron heat transport equations with a nonlocal heat flux are in general ill-posed and intrinsically unstable, as proved by the present authors [Phys. Fluids B 1, 2430 (1989)]. A straightforward numerical solution of these equations will therefore lead to absurd results. It is shown here that by imposing a minimal set of constraints on the problem it is possible to arrive at a globally stable, consistent, and energy conserving numerical solution

  13. Discussion of electron cross sections for transport calculations

    International Nuclear Information System (INIS)

    Berger, M.J.

    1983-01-01

    This paper deals with selected aspects of the cross sections needed as input for transport calculations and for the modeling of radiation effects in biological materials. Attention is centered mainly on the cross sections for inelastic interactions between electrons and water molecules and the use of these cross sections for the calculation of energy degradation spectra and of ionization and excitation yields. 40 references, 3 figures, 1 table

  14. The role of electron-impact vibrational excitation in electron transport through gaseous tetrahydrofuran

    Energy Technology Data Exchange (ETDEWEB)

    Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Do, T. P. T. [School of Education, Can Tho University, Campus II, 3/2 Street, Xuan Khanh, Ninh Kieu, Can Tho City (Viet Nam); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Konovalov, D. A.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville (Australia); Brunger, M. J., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Jones, D. B., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia)

    2015-03-28

    In this paper, we report newly derived integral cross sections (ICSs) for electron impact vibrational excitation of tetrahydrofuran (THF) at intermediate impact energies. These cross sections extend the currently available data from 20 to 50 eV. Further, they indicate that the previously recommended THF ICS set [Garland et al., Phys. Rev. A 88, 062712 (2013)] underestimated the strength of the electron-impact vibrational excitation processes. Thus, that recommended vibrational cross section set is revised to address those deficiencies. Electron swarm transport properties were calculated with the amended vibrational cross section set, to quantify the role of electron-driven vibrational excitation in describing the macroscopic swarm phenomena. Here, significant differences of up to 17% in the transport coefficients were observed between the calculations performed using the original and revised cross section sets for vibrational excitation.

  15. 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.

  16. Landauer-Datta-Lundstrom Generalized Transport Model for Nano electronics

    International Nuclear Information System (INIS)

    Kruglyak, Y.

    2014-01-01

    The Landauer-Datta-Lundstrom electron transport model is briefly summarized. If a band structure is given, the number of conduction modes can be evaluated and if a model for a mean-free-path for backscattering can be established, then the near-equilibrium thermoelectric transport coefficients can be calculated using the final expressions listed below for 1D, 2D, and 3D resistors in ballistic, quasi ballistic, and diffusive linear response regimes when there are differences in both voltage and temperature across the device. The final expressions of thermoelectric transport coefficients through the Fermi-Dirac integrals are collected for 1D, 2D, and 3D semiconductors with parabolic band structure and for 2D graphene linear dispersion in ballistic and diffusive regimes with the power law scattering.

  17. Radial transport of high-energy runaway electrons in ORMAK

    International Nuclear Information System (INIS)

    Zweben, S.J.; Swain, D.W.; Fleischmann, H.H.

    1978-01-01

    The transport of high-energy runaway electrons near the outside of a low-density ORMAK discharge is investigated by measuring the flux of runaways to the outer limiter during and after an inward shift of the plasma column. The experimental results are interpreted through a runaway confinement model which includes both the classical outward displacement of the runaway orbit with increasing energy and an additional runaway spatial diffusion coefficient which simulates an unspecified source of anomalous transport. Diffusion coefficients in the range D approximately equal to 10 2 -10 4 cms -1 are found under various discharge conditions indicating a significant non-collisional runaway transport near the outside of the discharge, particularly in the presence of MHD instability. (author)

  18. 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.

  19. Electron heat transport studies using transient phenomena in ASDEX Upgrade

    International Nuclear Information System (INIS)

    Jacchia, A.; Angioni, C.; Manini, A.; Ryter, F.; Apostoliceanu, M.; Conway, G.; Fahrbach, H.-U.; Kirov, K.K.; Leuterer, F.; Reich, M.; Sutttrop, W.; Cirant, S.; Mantica, P.; De Luca, F.; Weiland, J.

    2005-01-01

    Experiments in tokamaks suggest that a critical gradient length may cause the resilient behavior of T e profiles, in the absence of ITBs. This agrees in general with ITG/TEM turbulence physics. Experiments in ASDEX Upgrade using modulation techniques with ECH and/or cold pulses demonstrate the existence of a threshold in R/L Te when T e >T i and T e ≤T i . For T e >T i linear stability analyses indicate that electron heat transport is dominated by TEM modes. They agree in the value of the threshold (both T e and n e ) and for the electron heat transport increase above the threshold. The stabilization of TEM modes by collisions yielded by gyro-kinetic calculations, which suggests a transition from TEM to ITG dominated transport at high collisionality, is experimentally demonstrated by comparing heat pulse and steady-state diffusivities. For the T e ∼T i discharges above the threshold the resilience, normalized by T e 3/2 , is similar to that of the TEM dominated cases, despite very different conditions. The heat pinch predicted by fluid modeling of ITG/TEM turbulence is investigated by perturbative transport in off-axis ECH-heated discharges. (author)

  20. Time dependence of microsecond intense electron beam transport in gases

    International Nuclear Information System (INIS)

    Lucey, R.F. Jr.; Gilgenback, R.M.; Tucker, J.E.; Brake, M.L.; Enloe, C.L.; Repetti, T.E.

    1987-01-01

    The authors present results of long-pulse (0.5 μs) electron beam propagation in the ion focused regime (IFR). Electron beam parameters are 800 kV with several hundred amperes injected current. For injection into air (from 0.7 mTorr to 75 mTorr) and helium (from 14 mTorr to 227 mTorr) the authors observe a ''time-dependent propagation window'' in which efficient (up to 100%) propagation starts at a time comparable to the electron impact ionization time needed to achieve n/sub i/ -- (1/γ/sup 2/)n/sub eb/. The transport goes abruptly to zero about 50-150 ns after this initial propagation. This is followed by erratic propagation often consisting of numerous narrower pulses 10-40 ns wide. In these pulses the transported current can be 100% of the injected current, but is generally lower. As the fill pressure is increased, there are differences in the propagated beam pulse, which can be summarized as follows: 1) the temporal occurrence of the beam propagation window shifts to earlier times, 2) the propagated beam current has much faster risetimes, 3) a larger portion of the injected beam is propagated. Similar results are observed when the electron beam is propagated in helium. However, at a given pressure, the beam transport window occurs at later times and exhibits a slower risetime. These effects are consistent with electron beam-induced ionization. Experiments are being performed to determine if the observed beam instability is due to the ion hose instability or streaming instability

  1. Methods for fabrication of flexible hybrid electronics

    Science.gov (United States)

    Street, Robert A.; Mei, Ping; Krusor, Brent; Ready, Steve E.; Zhang, Yong; Schwartz, David E.; Pierre, Adrien; Doris, Sean E.; Russo, Beverly; Kor, Siv; Veres, Janos

    2017-08-01

    Printed and flexible hybrid electronics is an emerging technology with potential applications in smart labels, wearable electronics, soft robotics, and prosthetics. Printed solution-based materials are compatible with plastic film substrates that are flexible, soft, and stretchable, thus enabling conformal integration with non-planar objects. In addition, manufacturing by printing is scalable to large areas and is amenable to low-cost sheet-fed and roll-to-roll processes. FHE includes display and sensory components to interface with users and environments. On the system level, devices also require electronic circuits for power, memory, signal conditioning, and communications. Those electronic components can be integrated onto a flexible substrate by either assembly or printing. PARC has developed systems and processes for realizing both approaches. This talk presents fabrication methods with an emphasis on techniques recently developed for the assembly of off-the-shelf chips. A few examples of systems fabricated with this approach are also described.

  2. The theory and simulation of relativistic electron beam transport in the ion-focused regime

    International Nuclear Information System (INIS)

    Swanekamp, S.B.; Holloway, J.P.; Kammash, T.; Gilgenbach, R.M.

    1992-01-01

    Several recent experiments involving relativistic electron beam (REB) transport in plasma channels show two density regimes for efficient transport; a low-density regime known as the ion-focused regime (IFR) and a high-pressure regime. The results obtained in this paper use three separate models to explain the dependency of REB transport efficiency on the plasma density in the IFR. Conditions for efficient beam transport are determined by examining equilibrium solutions of the Vlasov--Maxwell equations under conditions relevant to IFR transport. The dynamic force balance required for efficient IFR transport is studied using the particle-in-cell (PIC) method. These simulations provide new insight into the transient beam front physics as well as the dynamic approach to IFR equilibrium. Nonlinear solutions to the beam envelope are constructed to explain oscillations in the beam envelope observed in the PIC simulations but not contained in the Vlasov equilibrium analysis. A test particle analysis is also developed as a method to visualize equilibrium solutions of the Vlasov equation. This not only provides further insight into the transport mechanism but also illustrates the connections between the three theories used to describe IFR transport. Separately these models provide valuable information about transverse beam confinement; together they provide a clear physical understanding of REB transport in the IFR

  3. Alloy scattering dependence of electron transport in AlGaN

    International Nuclear Information System (INIS)

    Yarar, Z.; Ozdemir, M.

    2010-01-01

    The electron transport and velocity characteristics in AlGaN are examined using an ensemble Monte Carlo simulation method. A three valley band structure model where nonparabolicity effects are considered in all valleys is used for Monte Carlo calculations. All of the major electron scattering interactions like acoustic and optical phonon, intervaley, ionized impurity and alloy disorder scatterings are included in the calculations. The velocity-applied electric field characteristics are analyzed as a function of Al molar fraction and temperature in the ranges of x=0.1 to x=0.5 and 77 K to 500 K, respectively. The velocity overshoot is clearly observed and the population of valleys seems well-matched with the occupancy of valleys in AlGaN. The results of electron steady state velocity-field curves are found that the alloy disorder scattering has important effects on the electron transport characteristics of AlGaN.

  4. Distribution of tunnelling times for quantum electron transport

    International Nuclear Information System (INIS)

    Rudge, Samuel L.; Kosov, Daniel S.

    2016-01-01

    In electron transport, the tunnelling time is the time taken for an electron to tunnel out of a system after it has tunnelled in. We define the tunnelling time distribution for quantum processes in a dissipative environment and develop a practical approach for calculating it, where the environment is described by the general Markovian master equation. We illustrate the theory by using the rate equation to compute the tunnelling time distribution for electron transport through a molecular junction. The tunnelling time distribution is exponential, which indicates that Markovian quantum tunnelling is a Poissonian statistical process. The tunnelling time distribution is used not only to study the quantum statistics of tunnelling along the average electric current but also to analyse extreme quantum events where an electron jumps against the applied voltage bias. The average tunnelling time shows distinctly different temperature dependence for p- and n-type molecular junctions and therefore provides a sensitive tool to probe the alignment of molecular orbitals relative to the electrode Fermi energy.

  5. Electronic transport in VO2—Experimentally calibrated Boltzmann transport modeling

    International Nuclear Information System (INIS)

    Kinaci, Alper; Rosenmann, Daniel; Chan, Maria K. Y.; Kado, Motohisa; Ling, Chen; Zhu, Gaohua; Banerjee, Debasish

    2015-01-01

    Materials that undergo metal-insulator transitions (MITs) are under intense study, because the transition is scientifically fascinating and technologically promising for various applications. Among these materials, VO 2 has served as a prototype due to its favorable transition temperature. While the physical underpinnings of the transition have been heavily investigated experimentally and computationally, quantitative modeling of electronic transport in the two phases has yet to be undertaken. In this work, we establish a density-functional-theory (DFT)-based approach with Hubbard U correction (DFT + U) to model electronic transport properties in VO 2 in the semiconducting and metallic regimes, focusing on band transport using the Boltzmann transport equations. We synthesized high quality VO 2 films and measured the transport quantities across the transition, in order to calibrate the free parameters in the model. We find that the experimental calibration of the Hubbard correction term can efficiently and adequately model the metallic and semiconducting phases, allowing for further computational design of MIT materials for desirable transport properties

  6. Electronic transport in VO{sub 2}—Experimentally calibrated Boltzmann transport modeling

    Energy Technology Data Exchange (ETDEWEB)

    Kinaci, Alper; Rosenmann, Daniel; Chan, Maria K. Y., E-mail: debasish.banerjee@toyota.com, E-mail: mchan@anl.gov [Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Kado, Motohisa [Higashifuji Technical Center, Toyota Motor Corporation, Susono, Shizuoka 410-1193 (Japan); Ling, Chen; Zhu, Gaohua; Banerjee, Debasish, E-mail: debasish.banerjee@toyota.com, E-mail: mchan@anl.gov [Materials Research Department, Toyota Motor Engineering and Manufacturing North America, Inc., Ann Arbor, Michigan 48105 (United States)

    2015-12-28

    Materials that undergo metal-insulator transitions (MITs) are under intense study, because the transition is scientifically fascinating and technologically promising for various applications. Among these materials, VO{sub 2} has served as a prototype due to its favorable transition temperature. While the physical underpinnings of the transition have been heavily investigated experimentally and computationally, quantitative modeling of electronic transport in the two phases has yet to be undertaken. In this work, we establish a density-functional-theory (DFT)-based approach with Hubbard U correction (DFT + U) to model electronic transport properties in VO{sub 2} in the semiconducting and metallic regimes, focusing on band transport using the Boltzmann transport equations. We synthesized high quality VO{sub 2} films and measured the transport quantities across the transition, in order to calibrate the free parameters in the model. We find that the experimental calibration of the Hubbard correction term can efficiently and adequately model the metallic and semiconducting phases, allowing for further computational design of MIT materials for desirable transport properties.

  7. Generalized Fokker-Planck theory for electron and photon transport in biological tissues: application to radiotherapy.

    Science.gov (United States)

    Olbrant, Edgar; Frank, Martin

    2010-12-01

    In this paper, we study a deterministic method for particle transport in biological tissues. The method is specifically developed for dose calculations in cancer therapy and for radiological imaging. Generalized Fokker-Planck (GFP) theory [Leakeas and Larsen, Nucl. Sci. Eng. 137 (2001), pp. 236-250] has been developed to improve the Fokker-Planck (FP) equation in cases where scattering is forward-peaked and where there is a sufficient amount of large-angle scattering. We compare grid-based numerical solutions to FP and GFP in realistic medical applications. First, electron dose calculations in heterogeneous parts of the human body are performed. Therefore, accurate electron scattering cross sections are included and their incorporation into our model is extensively described. Second, we solve GFP approximations of the radiative transport equation to investigate reflectance and transmittance of light in biological tissues. All results are compared with either Monte Carlo or discrete-ordinates transport solutions.

  8. Transport of a relativistic electron beam through hydrogen gas

    International Nuclear Information System (INIS)

    Haan, P. de.

    1981-01-01

    In this thesis the author describes the transport properties of an electron beam through vacuum and through hydrogen gas with pressure ranging from 25 to 1000 Pa. Maximum beam energy and current are 0.8 MeV and 6 kA, respectively. The pulse length is around 150 ns. A description is given of the experimental device. Also the diagnostics for probing the beam and the plasma, produced by the beam, are discussed, as well as the data acquisition system. The interaction between the beam and hydrogen gas with a pressure around 200 Pa is considered. A plasma with density around 10 19 m -3 is produced within a few nanoseconds. Measurements yield the atomic hydrogen temperature, electron density, beam energy loss, and induced plasma current and these are compared with the results of a model combining gas ionization and dissociation, and turbulent plasma heating. The angular distribution of the beam electrons about the magnetic field axis is discussed. (Auth.)

  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. Electron-vibron coupling effects on electron transport via a single-molecule magnet

    Science.gov (United States)

    McCaskey, Alexander; Yamamoto, Yoh; Warnock, Michael; Burzurí, Enrique; van der Zant, Herre S. J.; Park, Kyungwha

    2015-03-01

    We investigate how the electron-vibron coupling influences electron transport via an anisotropic magnetic molecule, such as a single-molecule magnet (SMM) Fe4, by using a model Hamiltonian with parameter values obtained from density-functional theory (DFT). The magnetic anisotropy parameters, vibrational energies, and electron-vibron coupling strengths of the Fe4 are computed using DFT. A giant spin model is applied to the Fe4 with only two charge states, specifically a neutral state with a total spin S =5 and a singly charged state with S =9 /2 , which is consistent with our DFT result and experiments on Fe4 single-molecule transistors. In sequential electron tunneling, we find that the magnetic anisotropy gives rise to new features in the conductance peaks arising from vibrational excitations. In particular, the peak height shows a strong, unusual dependence on the direction as well as magnitude of applied B field. The magnetic anisotropy also introduces vibrational satellite peaks whose position and height are modified with the direction and magnitude of applied B field. Furthermore, when multiple vibrational modes with considerable electron-vibron coupling have energies close to one another, a low-bias current is suppressed, independently of gate voltage and applied B field, although that is not the case for a single mode with a similar electron-vibron coupling. In the former case, the conductance peaks reveal a stronger B -field dependence than in the latter case. The new features appear because the magnetic anisotropy barrier is of the same order of magnitude as the energies of vibrational modes with significant electron-vibron coupling. Our findings clearly show the interesting interplay between magnetic anisotropy and electron-vibron coupling in electron transport via the Fe4. Similar behavior can be observed in transport via other anisotropic magnetic molecules.

  11. Reversal of local spins in transport of electrons through a one-dimensional chain

    International Nuclear Information System (INIS)

    Hu, D.-S.; Xiong, S.-J.

    2003-01-01

    We investigate the spin reversal of two coupled magnetic impurities in the transport processes of electrons in a one-dimensional chain. The impurities are side coupled to the chain and the electrons are injected and tunneling through it. The transmission coefficient of electrons and the polarization of impurities are calculated by the use of the equivalent single-particle network method for the correlated system. It is found that both the transmission coefficient and the polarization of impurities depend on the initial state of impurities and the impurity spins can be converted into the direction of electron spin if the injected electrons are polarized and the number of electrons is large enough. The evolution of the spin-reversal processes is studied in details

  12. Transport methods: general. 1. The Analytical Monte Carlo Method for Radiation Transport Calculations

    International Nuclear Information System (INIS)

    Martin, William R.; Brown, Forrest B.

    2001-01-01

    We present an alternative Monte Carlo method for solving the coupled equations of radiation transport and material energy. This method is based on incorporating the analytical solution to the material energy equation directly into the Monte Carlo simulation for the radiation intensity. This method, which we call the Analytical Monte Carlo (AMC) method, differs from the well known Implicit Monte Carlo (IMC) method of Fleck and Cummings because there is no discretization of the material energy equation since it is solved as a by-product of the Monte Carlo simulation of the transport equation. Our method also differs from the method recently proposed by Ahrens and Larsen since they use Monte Carlo to solve both equations, while we are solving only the radiation transport equation with Monte Carlo, albeit with effective sources and cross sections to represent the emission sources. Our method bears some similarity to a method developed and implemented by Carter and Forest nearly three decades ago, but there are substantive differences. We have implemented our method in a simple zero-dimensional Monte Carlo code to test the feasibility of the method, and the preliminary results are very promising, justifying further extension to more realistic geometries. (authors)

  13. Transport of energetic electrons in a fully ionized hydrogen plasma

    International Nuclear Information System (INIS)

    Bai, T.

    1982-01-01

    In order to study the behavior of energetic electrons in astrophysical plasmas, I derive relationships among the Coulomb energy loss, travel distance, and pitch angle deflection due to Coulomb collisions, which hold when the Coulomb energy loss is only a small fraction of the initial energy. By using these relationships, I develop a Monte Carlo method of calculating how the pitch angle and spatial distributions of the energetic electrons change in a uniformly magnetized plasma as these electrons lose energy by Coulomb collisions, including a scheme to include the effects of the nonuniformity of the ambient magnetic field. The resulting computational framework provides an efficient and flexible system for incroporating the effects of Coulomb collisions in realistic geometries. This method is applied to a beam of monoenergetic electrons released along the magnetic field lines. Implications of the present results and future applications of this Monte Carlo method are discussed. Subject headings: hydromagnetics: plasmas: Sun: flares

  14. Numerical methods in electron magnetic resonance

    International Nuclear Information System (INIS)

    Soernes, A.R.

    1998-01-01

    The focal point of the thesis is the development and use of numerical methods in the analysis, simulation and interpretation of Electron Magnetic Resonance experiments on free radicals in solids to uncover the structure, the dynamics and the environment of the system

  15. Numerical methods in electron magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Soernes, A.R

    1998-07-01

    The focal point of the thesis is the development and use of numerical methods in the analysis, simulation and interpretation of Electron Magnetic Resonance experiments on free radicals in solids to uncover the structure, the dynamics and the environment of the system.

  16. Sputter Deposited TiOx Thin-Films as Electron Transport Layers in Organic Solar Cells

    DEFF Research Database (Denmark)

    Mirsafaei, Mina; Bomholt Jensen, Pia; Lakhotiya, Harish

    transparency and favorable energy-level alignment with many commonly used electron-acceptor materials. There are several methods available for fabricating compact TiOx thin-films for use in organic solar cells, including sol-gel solution processing, spray pyrolysis and atomic-layer deposition; however...... of around 7%, by incorporating sputter deposited TiOx thin-films as electron-transport and exciton-blocking layers. In the work, we report on the effect of different TiOx deposition temperatures and thicknesses on the organic-solar-cell device performance. Besides optical characterization, AFM and XRD...... analyses are performed to characterize the morphology and crystal structure of the films, and external quantum efficiency measurements are employed to shed further light on the device performance. Our study presents a novel method for implementation of TiOx thin-films as electron-transport layer in organic...

  17. First-principles study of electron transport through monatomic Al and Na wires

    DEFF Research Database (Denmark)

    Kobayashi, Nobuhiko; Brandbyge, Mads; Tsukada, Masaru

    2000-01-01

    We present first-principles calculations of electron transport, in particular, the conduction channels of monatomic Al and Na atom wires bridged between metallic jellium electrodes. The electronic structures are calculated by the first-principles recursion-transfer matrix method, and the conduction...... channels are investigated using the eigenchannel decomposition (ECD) of the conductance, the local density of states (LDOS), and the current density. The ECD is different from the conventional decomposition of atomic orbitals, and the study of decomposed electronic structures is shown to be effective...

  18. The effect of non-uniformities on the measured transport parameters of electron swarms in hydrogen

    International Nuclear Information System (INIS)

    Blevin, H.A.; Fletcher, J.; Hunter, S.R.

    1978-01-01

    Measurements of transport parameters of pulsed electron swarms moving through a low-pressure gas by observation of the photon flux resulting from electron-molecule collisions have been recently reported by Blevin et al. (J. Phys. D., 9:465, 471 and 1671 (1976)). One of the possible sources of error in this kind of experiment is the variation of mean electron energy through the swarm. This effect is considered here along with the resulting variation of ionisation and excitation frequency through the swarm. The validity of the experimental method is considered in the light of the above factors. (author)

  19. The effect of non-uniformities on the measured transport parameters of electron swarms in hydrogen

    International Nuclear Information System (INIS)

    Blevin, H.A.; Fletcher, J.; Hunter, S.R.

    1978-05-01

    Measurements of transport parameters of pulsed electron swarms moving through a low pressure gas by observation of the photon flux resulting from electron-molecule collisions have been recently reported. One of the possible sources of error in this kind of experiment is the variation of mean electron energy through the swarm. This effect is considered here along with the resulting variation of ionization and excitation frequency through the swarm. The validity of the experimental method is considered in the light of the above factors

  20. New nonlinear methods for linear transport calculations

    International Nuclear Information System (INIS)

    Adams, M.L.

    1993-01-01

    We present a new family of methods for the numerical solution of the linear transport equation. With these methods an iteration consists of an 'S N sweep' followed by an 'S 2 -like' calculation. We show, by analysis as well as numerical results, that iterative convergence is always rapid. We show that this rapid convergence does not depend on a consistent discretization of the S 2 -like equations - they can be discretized independently from the S N equations. We show further that independent discretizations can offer significant advantages over consistent ones. In particular, we find that in a wide range of problems, an accurate discretization of the S 2 -like equation can be combined with a crude discretization of the S N equations to produce an accurate S N answer. We demonstrate this by analysis as well as numerical results. (orig.)

  1. Improvements of the integral transport theory method

    International Nuclear Information System (INIS)

    Kavenoky, A.; Lam-Hime, M.; Stankovski, Z.

    1979-01-01

    The integral transport theory is widely used in practical reactor design calculations however it is computer time consuming for two dimensional calculations of large media. In the first part of this report a new treatment is presented; it is based on the Galerkin method: inside each region the total flux is expanded over a three component basis. Numerical comparison shows that this method can considerably reduce the computing time. The second part of the this report is devoted to homogeneization theory: a straightforward calculation of the fundamental mode for an heterogeneous cell is presented. At first general presentation of the problem is given, then it is simplified to plane geometry and numerical results are presented

  2. Atomistic simulations of divacancy defects in armchair graphene nanoribbons: Stability, electronic structure, and electron transport properties

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Jun [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Zeng, Hui, E-mail: zenghui@yangtzeu.edu.cn [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei, Jianwei [College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054 (China); Li, Biao; Xu, Dahai [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China)

    2014-01-17

    Using the first principles calculations associated with nonequilibrium Green's function, we have studied the electronic structures and quantum transport properties of defective armchair graphene nanoribbon (AGNR) in the presence of divacancy defects. The triple pentagon–triple heptagon (555–777) defect in the defective AGNR is energetically more favorable than the pentagon–octagon–pentagon (5–8–5) defect. Our calculated results reveal that both 5–8–5-like defect and 555–777-like defect in AGNR could improve the electron transport. It is anticipated that defective AGNRs can exhibit large range variations in transport behaviors, which are strongly dependent on the distributions of the divacancy defect.

  3. New methods in transport theory. Part of a coordinated programme on methods in neutron transport theory

    International Nuclear Information System (INIS)

    Stefanovic, D.

    1975-09-01

    The research work of this contract was oriented towards the study of different methods in neutron transport theory. Authors studied analytical solution of the neutron slowing down transport equation and extension of this solution to include the energy dependence of the anisotropy of neutron scattering. Numerical solution of the fast and resonance transport equation for the case of mixture of scatterers including inelastic effects were also reviewed. They improved the existing formalism for treating the scattering of neutrons on water molecules; Identifying modal analysis as the Galerkin method, general conditions for modal technique applications have been investigated. Inverse problems in transport theory were considered. They obtained the evaluation of an advanced level distribution function, made improvement of the standard formalism for treating the inelastic scattering and development of a cluster nuclear model for this evaluation. Authors studied the neutron transport treatment in space energy groups for criticality calculation of a reactor core, and development of the Monte Carlo sampling scheme from the neutron transport equation

  4. Methods for measurement of electron emission yield under low energy electron-irradiation by collector method and Kelvin probe method

    Energy Technology Data Exchange (ETDEWEB)

    Tondu, Thomas; Belhaj, Mohamed; Inguimbert, Virginie [Onera, DESP, 2 Avenue Edouard Belin, 31400 Toulouse (France); Onera, DESP, 2 Avenue Edouard Belin, 31400 Toulouse, France and Fondation STAE, 4 allee Emile Monso, BP 84234-31432, Toulouse Cedex 4 (France); Onera, DESP, 2 Avenue Edouard Belin, 31400 Toulouse (France)

    2010-09-15

    Secondary electron emission yield of gold under electron impact at normal incidence below 50 eV was investigated by the classical collector method and by the Kelvin probe method. The authors show that biasing a collector to ensure secondary electron collection while keeping the target grounded can lead to primary electron beam perturbations. Thus reliable secondary electron emission yield at low primary electron energy cannot be obtained with a biased collector. The authors present two collector-free methods based on current measurement and on electron pulse surface potential buildup (Kelvin probe method). These methods are consistent, but at very low energy, measurements become sensitive to the earth magnetic field (below 10 eV). For gold, the authors can extrapolate total emission yield at 0 eV to 0.5, while a total electron emission yield of 1 is obtained at 40{+-}1 eV.

  5. Methods for measurement of electron emission yield under low energy electron-irradiation by collector method and Kelvin probe method

    International Nuclear Information System (INIS)

    Tondu, Thomas; Belhaj, Mohamed; Inguimbert, Virginie

    2010-01-01

    Secondary electron emission yield of gold under electron impact at normal incidence below 50 eV was investigated by the classical collector method and by the Kelvin probe method. The authors show that biasing a collector to ensure secondary electron collection while keeping the target grounded can lead to primary electron beam perturbations. Thus reliable secondary electron emission yield at low primary electron energy cannot be obtained with a biased collector. The authors present two collector-free methods based on current measurement and on electron pulse surface potential buildup (Kelvin probe method). These methods are consistent, but at very low energy, measurements become sensitive to the earth magnetic field (below 10 eV). For gold, the authors can extrapolate total emission yield at 0 eV to 0.5, while a total electron emission yield of 1 is obtained at 40±1 eV.

  6. Taking an electron-magnon duality shortcut from electron to magnon transport

    Science.gov (United States)

    Mook, Alexander; Göbel, Börge; Henk, Jürgen; Mertig, Ingrid

    2018-04-01

    The quasiparticles in insulating magnets are the charge-neutral magnons, whose magnetic moments couple to electromagnetic fields. For collinear easy-axis magnets, this coupling can be mapped elegantly onto the scenario of charged particles in electromagnetic fields. From this mapping we obtain equations of motion for magnon wave packets equal to those of electron wave packets in metals. Thus, well-established electronic transport phenomena can be carried over to magnons: this duality shortcut facilitates the discussion of magnon transport. We identify the magnon versions of normal and anomalous Hall, Nernst, Ettingshausen, and Righi-Leduc effects. They are discussed for selected types of easy-axis magnets: ferromagnets, antiferromagnets, and ferrimagnets. Besides a magnon Wiedemann-Franz law and the magnon counterpart of the negative magnetoresistance of electrons in Weyl semimetals, we predict that certain low-symmetry ferrimagnets exhibit a nonlinear version of the anomalous magnon Hall-effect family.

  7. Monte Carlo transport of electrons and positrons through thin foils

    International Nuclear Information System (INIS)

    Legarda, F.; Idoeta, R.

    2000-01-01

    In the different measurements made with electrons traversing matter it becomes useful the knowledge of its transmission through that medium, their paths and their angular distribution through matter so as to process and get information about the traversed medium and to improve and innovate the techniques that employ electrons, as medical applications or materials irradiation. This work presents a simulation of the transport of beams of electrons and positrons through thin foils using an analog Monte Carlo code that simulates in a detailed way every electron movement or interaction in matter. As those particles penetrate thin absorbers it has been assumed that they interact with matter only through elastic scattering, with negligible energy loss. This type of interaction has been described quite precisely because its angular form influences very much the angular distribution of electrons and positrons in matter. With this code it has been calculated the number of particles, with energies between 100 and 3000 keV, that are transmitted through different media of various thicknesses as well as its angular distribution, showing a good agreement with experimental data. The discrepancies are less than 5% for thicknesses lower than about 30% of the corresponding range in the tested material. As elastic scattering is very anisotropic, angular distributions resemble a collimated incident beam for very thin foils becoming slowly more isotropic when absorber thickness is increased. (author)

  8. Electron and hole transport in ambipolar, thin film pentacene transistors

    International Nuclear Information System (INIS)

    Saudari, Sangameshwar R.; Kagan, Cherie R.

    2015-01-01

    Solution-processed, ambipolar, thin-film pentacene field-effect transistors were employed to study both electron and hole transport simultaneously in a single, organic solid-state device. Electron and hole mobilities were extracted from the respective unipolar saturation regimes and show thermally activated behavior and gate voltage dependence. We fit the gate voltage dependent saturation mobility to a power law to extract the characteristic Meyer-Neldel (MN) energy, a measure of the width of the exponential distribution of localized states extending into the energy gap of the organic semiconductor. The MN energy is ∼78 and ∼28 meV for electrons and holes, respectively, which reflects a greater density of localized tail states for electrons than holes. This is consistent with the lower measured electron than hole mobility. For holes, the well-behaved linear regime allows for four-point probe measurement of the contact resistance independent mobility and separate characterization of the width of the localized density of states, yielding a consistent MN energy of 28 meV

  9. Electron and hole transport in ambipolar, thin film pentacene transistors

    Energy Technology Data Exchange (ETDEWEB)

    Saudari, Sangameshwar R. [Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States); Kagan, Cherie R. [Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States); Department of Electrical and Systems Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States); Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States)

    2015-01-21

    Solution-processed, ambipolar, thin-film pentacene field-effect transistors were employed to study both electron and hole transport simultaneously in a single, organic solid-state device. Electron and hole mobilities were extracted from the respective unipolar saturation regimes and show thermally activated behavior and gate voltage dependence. We fit the gate voltage dependent saturation mobility to a power law to extract the characteristic Meyer-Neldel (MN) energy, a measure of the width of the exponential distribution of localized states extending into the energy gap of the organic semiconductor. The MN energy is ∼78 and ∼28 meV for electrons and holes, respectively, which reflects a greater density of localized tail states for electrons than holes. This is consistent with the lower measured electron than hole mobility. For holes, the well-behaved linear regime allows for four-point probe measurement of the contact resistance independent mobility and separate characterization of the width of the localized density of states, yielding a consistent MN energy of 28 meV.

  10. Helium, iron and electron particle transport and energy transport studies on the TFTR tokamak

    International Nuclear Information System (INIS)

    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.

    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

  11. 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.

  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. Formal Methods Applications in Air Transportation

    Science.gov (United States)

    Farley, Todd

    2009-01-01

    The U.S. air transportation system is the most productive in the world, moving far more people and goods than any other. It is also the safest system in the world, thanks in part to its venerable air traffic control system. But as demand for air travel continues to grow, the air traffic control system s aging infrastructure and labor-intensive procedures are impinging on its ability to keep pace with demand. And that impinges on the growth of our economy. Air traffic control modernization has long held the promise of a more efficient air transportation system. Part of NASA s current mission is to develop advanced automation and operational concepts that will expand the capacity of our national airspace system while still maintaining its excellent record for safety. It is a challenging mission, as efforts to modernize have, for decades, been hamstrung by the inability to assure safety to the satisfaction of system operators, system regulators, and/or the traveling public. In this talk, we ll provide a brief history of air traffic control, focusing on the tension between efficiency and safety assurance, and the promise of formal methods going forward.

  14. Electronic transport and magnetization dynamics in magnetic systems

    International Nuclear Information System (INIS)

    Borlenghi, Simone

    2011-01-01

    The aim of this thesis is to understand the mutual influence between electronic transport and magnetization dynamics in magnetic hybrid metallic nano-structures. At first, we have developed a theoretical model, based on random matrix theory, to describe at microscopic level spin dependent transport in a heterogeneous nano-structure. This model, called Continuous Random Matrix Theory (CRMT), has been implemented in a simulation code that allows one to compute local (spin torque, spin accumulation and spin current) and macroscopic (resistance) transport properties of spin valves. To validate this model, we have compared it with a quantum theory of transport based on the non equilibrium Green's functions formalism. Coupling the two models has allowed to perform a multi-scale description of metallic hybrid nano-structures, where ohmic parts are described using CRMT, while purely quantum parts are described using Green's functions. Then, we have coupled CRMT to a micro-magnetic simulation code, in order to describe the complex dynamics of the magnetization induced by spin transfer effect. The originality of this approach consists in modelling a spectroscopic experiment based on a mechanical detection of the ferromagnetic resonance, and performed on a spin torque nano-oscillator. This work has allowed us to obtain the dynamical phase diagram of the magnetization, and to detect the selection rules for spin waves induced by spin torque, as well as the competition between the Eigen-modes of the system when a dc current flows through the multilayer, in partial agreement with experimental data. (author)

  15. Improved methods for high resolution electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, J.R.

    1987-04-01

    Existing methods of making support films for high resolution transmission electron microscopy are investigated and novel methods are developed. Existing methods of fabricating fenestrated, metal reinforced specimen supports (microgrids) are evaluated for their potential to reduce beam induced movement of monolamellar crystals of C/sub 44/H/sub 90/ paraffin supported on thin carbon films. Improved methods of producing hydrophobic carbon films by vacuum evaporation, and improved methods of depositing well ordered monolamellar paraffin crystals on carbon films are developed. A novel technique for vacuum evaporation of metals is described which is used to reinforce microgrids. A technique is also developed to bond thin carbon films to microgrids with a polymer bonding agent. Unique biochemical methods are described to accomplish site specific covalent modification of membrane proteins. Protocols are given which covalently convert the carboxy terminus of papain cleaved bacteriorhodopsin to a free thiol. 53 refs., 19 figs., 1 tab.

  16. Relativistic electron-beam transport in curved channels

    International Nuclear Information System (INIS)

    Vittitoe, C.N.; Morel, J.E.; Wright, T.P.

    1982-01-01

    Collisionless single particle trajectories are modeled for a single plasma channel having one section curved in a circular arc. The magnetic field is developed by superposition of straight and curved channel segments. The plasma density gives charge and beam-current neutralization. High transport efficiencies are found for turning a relativistic electron beam 90 0 under reasonable conditions of plasma current, beam energy, arc radius, channel radius, and injection distributions in velocity and in position at the channel entrance. Channel exit distributions in velocity and position are found consistent with those for a straight plasma channel of equivalent length. Such transport problems are important in any charged particle-beam application constrained by large diode-to-target distance or by requirements of maximum power deposition in a confined area

  17. Strain modification on electronic transport of the phosphorene nanoribbon

    Directory of Open Access Journals (Sweden)

    Yawen Yuan

    2017-07-01

    Full Text Available We demonstrate theoretically how local strains can be tailored to control quantum transport of carriers on monolayer armchair and zigzag phosphorene nanoribbon. We find that the electron tunneling is forbidden when the in-plane strain exceeds a critical value. The critical strain is different for different crystal orientation of the ribbons, widths, and incident energies. By tuning the Fermi energy and strain, the channels can be transited from opaque to transparent. Moreover, for the zigzag-phosphorene nanoribbon, the two-fold degenerate quasi-flat edge band splits completely under certain strain. These properties provide us an efficient way to control the transport of monolayer phosphorene-based microstructure.

  18. 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...

  19. Effect of contact barrier on electron transport in graphene.

    Science.gov (United States)

    Zhou, Yang-Bo; Han, Bing-Hong; Liao, Zhi-Min; Zhao, Qing; Xu, Jun; Yu, Da-Peng

    2010-01-14

    The influence of the barrier between metal electrodes and graphene on the electrical properties was studied on a two-electrode device. A classical barrier model was used to analyze the current-voltage characteristics. Primary parameters including barrier height and effective resistance were achieved. The electron transport properties under magnetic field were further investigated. An abnormal peak-valley-peak shape of voltage-magnetoresistance curve was observed. The underlying mechanisms were discussed under the consideration of the important influence of the contact barrier. Our results indicate electrical properties of graphene based devices are sensitive to the contact interface.

  20. Quantum oscillations and the electronic transport properties in multichain nanorings

    International Nuclear Information System (INIS)

    Racolta, D.

    2009-01-01

    We consider a system of multichain nanorings in static electric and magnetic field. The magnetic field induces characteristic phase changes. These phase shifts produce interference phenomena in the case of nanosystems for which the coherence length is larger than the sample dimension. We obtain energy solutions that are dependent on the number of sites N α characterizing a chain, of phase on the phase φ α and on the applied voltage. We found rich oscillations structures exhibited by the magnetic flux and we established the transmission probability. This proceeds by applying Landauer conductance formulae which opens the way to study electronic transport properties. (authors)

  1. 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.

  2. Electronic transport for armchair graphene nanoribbons with a potential barrier

    International Nuclear Information System (INIS)

    Zhou Benliang; Zhou Benhu; Liao Wenhu; Zhou Guanghui

    2010-01-01

    We theoretically investigate the electronic transport properties through a rectangular potential barrier embedded in armchair-edge graphene nanoribbons (AGNRs) of various widths. Using the Landauer formula and Dirac equation with the continuity conditions for all segments of wave functions at the interfaces between regions inside and outside the barrier, we calculate analytically the conductance and Fano factor for the both metallic and semiconducting AGNRs, respectively. It is shown that, by some numerical examples, at Dirac point the both types of AGNRs own a minimum conductance associated with the maximum Fano factor. The results are discussed and compared with the previous relevant works.

  3. Electronic transport properties in [n]cycloparaphenylenes molecular devices

    Science.gov (United States)

    Hu, Lizhi; Guo, Yandong; Yan, Xiaohong; Zeng, Hongli; Zhou, Jie

    2017-07-01

    The electronic transport of [n]cycloparaphenylenes ([n]CPPs) is investigated based on nonequilibrium Green's function formalism in combination with the density-functional theory. Negative differential resistance (NDR) phenomenon is observed. Further analysis shows that the reduction of the transmission peak induced by the bias changing near Fermi energy results in the NDR effect. Replacing the electrode (from carbon chain to Au electrode), doping with N atom and changing the size of the nanohoop (n = 5, 6, 8, 10) have also been studied and the NDR still exists, suggesting the NDR behavior is the intrinsic feature of such [n]CPPs systems, which would be quite useful in future nanoelectronic devices.

  4. 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.

  5. Transport Characteristics of Mesoscopic Radio-Frequency Single Electron Transistor

    International Nuclear Information System (INIS)

    Phillips, A. H.; Kirah, K.; Aly, N. A. I.; El-Sayes, H. E.

    2008-01-01

    The transport property of a quantum dot under the influence of external time-dependent field is investigated. The mesoscopic device is modelled as semiconductor quantum dot coupled weakly to superconducting leads via asymmetric double tunnel barriers of different heights. An expression for the current is deduced by using the Landauer–Buttiker formula, taking into consideration of both the Coulomb blockade effect and the magnetic field. It is found that the periodic oscillation of the current with the magnetic field is controlled by the ratio of the frequency of the applied ac-field to the electron cyclotron frequency. Our results show that the present device operates as a radio-frequency single electron transistor

  6. Fundamental models of electronic transport in amorphous semiconductors

    International Nuclear Information System (INIS)

    Emin, D.

    1982-01-01

    Significant fundamental questions lie at the heart of our understanding of the electronic and optical properties of semiconducting and insulating glasses. In this article the principal features of the Mott-CFO model and the small-polaron model are described. While the Mott-CFO model seems to apply to the high-mobility electron transport in glassy SiO 2 and Cd 2 As 3 it does not appear applicable to the most frequently studied chalocogenide glasses. Furthermore, the Mott-CFO model does not account for as basic a feature as the sign of the Hall effect. On the other hand, the small-polaron model accounts for the observed d.c. conductivity, Peltier heat and Hall mobility in a very simple and direct manner

  7. EDM 1.0: electron direct methods.

    Science.gov (United States)

    Kilaas, R; Marks, L D; Own, C S

    2005-02-01

    A computer program designed to provide a number of quantitative analysis tools for high-resolution imaging and electron diffraction data is described. The program includes basic image manipulation, both real space and reciprocal space image processing, Wiener-filtering, symmetry averaging, methods for quantification of electron diffraction patterns and two-dimensional direct methods. The program consists of a number of sub-programs written in a combination of C++, C and Fortran. It can be downloaded either as GNU source code or as binaries and has been compiled and verified on a wide range of platforms, both Unix based and PC's. Elements of the design philosophy as well as future possible extensions are described.

  8. Transport properties of electrons in fractal magnetic-barrier structures

    Science.gov (United States)

    Sun, Lifeng; Fang, Chao; Guo, Yong

    2010-09-01

    Quantum transport properties in fractal magnetically modulated structures are studied by the transfer-matrix method. It is found that the transmission spectra depend sensitively not only on the incident energy and the direction of the wave vector but also on the stage of the fractal structures. Resonance splitting, enhancement, and position shift of the resonance peaks under different magnetic modulation are observed at four different fractal stages, and the relationship between the conductance in the fractal structure and magnetic modulation is also revealed. The results indicate the spectra of the transmission can be considered as fingerprints for the fractal structures, which show the subtle correspondence between magnetic structures and transport behaviors.

  9. A finite element method for neutron transport

    International Nuclear Information System (INIS)

    Ackroyd, R.T.

    1978-01-01

    A variational treatment of the finite element method for neutron transport is given based on a version of the even-parity Boltzmann equation which does not assume that the differential scattering cross-section has a spherical harmonic expansion. The theory of minimum and maximum principles is based on the Cauchy-Schwartz equality and the properties of a leakage operator G and a removal operator C. For systems with extraneous sources, two maximum and one minimum principles are given in boundary free form, to ease finite element computations. The global error of an approximate variational solution is given, the relationship of one the maximum principles to the method of least squares is shown, and the way in which approximate solutions converge locally to the exact solution is established. A method for constructing local error bounds is given, based on the connection between the variational method and the method of the hypercircle. The source iteration technique and a maximum principle for a system with extraneous sources suggests a functional for a variational principle for a self-sustaining system. The principle gives, as a consequence of the properties of G and C, an upper bound to the lowest eigenvalue. A related functional can be used to determine both upper and lower bounds for the lowest eigenvalue from an inspection of any approximate solution for the lowest eigenfunction. The basis for the finite element is presented in a general form so that two modes of exploitation can be undertaken readily. The model can be in phase space, with positional and directional co-ordinates defining points of the model, or it can be restricted to the positional co-ordinates and an expansion in orthogonal functions used for the directional co-ordinates. Suitable sets of functions are spherical harmonics and Walsh functions. The latter set is appropriate if a discrete direction representation of the angular flux is required. (author)

  10. Control of electron internal transport barriers in TCV

    Energy Technology Data Exchange (ETDEWEB)

    Henderson, M A; Behn, R; Coda, S; Condrea, I; Duval, B P; Goodman, T P; Karpushov, A; Martin, Y; Martynov, An; Moret, J-M; Nikkola, P; Porte, L; Sauter, O; Scarabosio, A; Zhuang, G [Centre de Recherches en Physique des Plasmas, Association EURATOM-Confederation Suisse, Ecole Polytechnique Federale de Lausanne, CRPP-EPFL, 1015 Lausanne (Switzerland)

    2004-05-01

    Current profile tailoring has been performed by application of electron cyclotron heating (ECH) and electron cyclotron current drive, leading to improved energy confinement in the plasma core of the TCV tokamak. The improved confinement is characterized by a substantial enhancement (H-factor) of the global electron energy confinement time relative to the prediction of the RLW scaling law (Rebut P H et al 1989 Proc. 12th Int. Conf. of Plasma Physics and Controlled Fusion Research (Nice, 1988) vol 2 (Vienna: IAEA) p 191), which predicts well Ohmic and standard ECH discharges on TCV. The improved confinement is attributed to a hollow current density profile producing a reversed shear profile creating an electron internal transport barrier. We relate the strength of the barrier to the depth of the hollow current density profile and the volume enclosed by the radial location of the peak current density. The {rho}{sub T}{sup *} (Tresset G et al 2002 Nucl. Fusion 42 520) criterion is used to evaluate the performance of the barrier relative to changes in the ECH parameters or the addition of Ohmic current, which aid in identifying the control parameters available for improving either the strength or volume of the barrier for enhanced performance. A figure of merit for the global scaling factor is used that scales the confinement enhancement as the product of the barrier volume and strength.

  11. Electron transport in heavily doped GdN

    Science.gov (United States)

    Maity, T.; Trodahl, H. J.; Natali, F.; Ruck, B. J.; Vézian, S.

    2018-01-01

    We report measurements of electron transport phenomena in the intrinsic ferromagnetic semiconductor GdN doped with 1.3 ×1021cm-3 electrons. The conductivity, carrier concentration, and thermoelectric power are compared with expectations based on an LSDA+U band structure. In the ferromagnetic state the carriers fill the majority-spin conduction band pockets to the bottom of the minority-spin band. The resistance implies an electron mobility of 18 cm2V-1s-1 at zero temperature, and in turn a mean-free path of 10-30 nm. Spin disorder scattering rapidly reduces the mobility near the 70 K Curie temperature (TC). The thermoelectric power is negative in the paramagnetic phase, as expected for a n -type conductor, with a magnitude that is in agreement with the Fermi energy implied by the band structure. The thermopower reverses sign to be positive in the ferromagnetic phase, which correlates with a strongly temperature-dependent electron diffusion from spin-disorder scattering that increases rapidly as the temperature rises toward TC.

  12. Control of electron internal transport barriers in TCV

    International Nuclear Information System (INIS)

    Henderson, M A; Behn, R; Coda, S; Condrea, I; Duval, B P; Goodman, T P; Karpushov, A; Martin, Y; Martynov, An; Moret, J-M; Nikkola, P; Porte, L; Sauter, O; Scarabosio, A; Zhuang, G

    2004-01-01

    Current profile tailoring has been performed by application of electron cyclotron heating (ECH) and electron cyclotron current drive, leading to improved energy confinement in the plasma core of the TCV tokamak. The improved confinement is characterized by a substantial enhancement (H-factor) of the global electron energy confinement time relative to the prediction of the RLW scaling law (Rebut P H et al 1989 Proc. 12th Int. Conf. of Plasma Physics and Controlled Fusion Research (Nice, 1988) vol 2 (Vienna: IAEA) p 191), which predicts well Ohmic and standard ECH discharges on TCV. The improved confinement is attributed to a hollow current density profile producing a reversed shear profile creating an electron internal transport barrier. We relate the strength of the barrier to the depth of the hollow current density profile and the volume enclosed by the radial location of the peak current density. The ρ T * (Tresset G et al 2002 Nucl. Fusion 42 520) criterion is used to evaluate the performance of the barrier relative to changes in the ECH parameters or the addition of Ohmic current, which aid in identifying the control parameters available for improving either the strength or volume of the barrier for enhanced performance. A figure of merit for the global scaling factor is used that scales the confinement enhancement as the product of the barrier volume and strength

  13. Functional size of photosynthetic electron transport chain determined by radiation inactivation

    International Nuclear Information System (INIS)

    Pan, R.S.; Chen, L.F.; Wang, M.Y.; Tsal, M.Y.; Pan, R.L.; Hsu, B.D.

    1987-01-01

    Radiation inactivation technique was employed to determine the functional size of photosynthetic electron transport chain of spinach chloroplasts. The functional size for photosystem I+II(H 2 O to methylviologen) was 623 +/- 37 kilodaltons; for photosystem II (H 2 O to dimethylquinone/ferricyanide), 174 +/- 11 kilodaltons; and for photosystem I (reduced diaminodurene to methylviologen), 190 +/- 11 kilodaltons. The difference between 364 +/- 22 (the sum of 174 +/- 11 and 190 +/- 11) kilodaltons and 623 +/- 37 kilodaltons is partially explained to be due to the presence of two molecules of cytochrome b 6 /f complex of 280 kilodaltons. The molecular mass for other partial reactions of photosynthetic electron flow, also measured by radiation inactivation, is reported. The molecular mass obtained by this technique is compared with that determined by other conventional biochemical methods. A working hypothesis for the composition, stoichiometry, and organization of polypeptides for photosynthetic electron transport chain is proposed

  14. Electronic transport properties of 1D-defects in graphene and other 2D-systems

    Energy Technology Data Exchange (ETDEWEB)

    Willke, P.; Wenderoth, M. [IV. Physical Institute, Solids and Nanostructures, Georg-August-University Goettingen (Germany); Schneider, M.A. [Lehrstuhl fuer Festkoerperphysik, Universitaet Erlangen-Nuernberg, Erlangen (Germany)

    2017-11-15

    The continuous progress in device miniaturization demands a thorough understanding of the electron transport processes involved. The influence of defects - discontinuities in the perfect and translational invariant crystal lattice - plays a crucial role here. For graphene in particular, they limit the carrier mobility often demanded for applications by contributing additional sources of scattering to the sample. Due to its two-dimensional nature graphene serves as an ideal system to study electron transport in the presence of defects, because one-dimensional defects like steps, grain boundaries and interfaces are easy to characterize and have profound effects on the transport properties. While their contribution to the resistance of a sample can be extracted by carefully conducted transport experiments, scanning probe methods are excellent tools to study the influence of defects locally. In this letter, the authors review the results of scattering at local defects in graphene and other 2D systems by scanning tunneling potentiometry, 4-point-probe microscopy, Kelvin probe force microscopy and conventional transport measurements. Besides the comparison of the different defect resistances important for device fabrication, the underlying scattering mechanisms are discussed giving insight into the general physics of electron scattering at defects. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Electron transport measurements in methane using an improved pulsed Townsend technique

    International Nuclear Information System (INIS)

    Hunter, S.R.; Carter, J.G.; Christophorou, L.G.

    1986-01-01

    An improved pulsed Townsend technique for the measurement of electron transport parameters in gases is described. The accuracy and sensitivity of the technique have been investigated by performing, respectively, electron attachment coefficient measurements in pure O 2 over a wide range of E/N at selected O 2 pressures and by determining the electron attachment and ionization coefficients and electron drift velocity in CH 4 over a wide E/N range. Good agreement has been obtained between the present and the previously published electron attachment coefficients in O 2 and for the drift velocity measurements in CH 4 . The data on the electron attachment coefficient in CH 4 (measured for the first time) showed that with the present improved pulsed Townsend method, electron attachment coefficients up to 10 times smaller than the ionization coefficients at a given E/N value can be accurately measured. Our measurements of the electron attachment and ionization coefficients in CH 4 are in good agreement with a Boltzmann equation analysis of the electron gain and loss processes in CH 4 using published electron scattering cross sections for this molecule

  16. Tuning the electronic transport anisotropy in α-phase phosphorene through superlattice design

    Science.gov (United States)

    He, Yuanyuan; Xiong, Shiyun; Xia, Feifei; Shao, Zhibin; Zhao, Jianwei; Zhang, Xiujuan; Jie, Jiansheng; Zhang, Xiaohong

    2018-02-01

    Rational tuning the anisotropic electronic properties of monolayer phosphorene is essential to their applications in electronic and optoelectronic devices. By combining the density functional theory and the nonequilibrium Green's function method, we developed a strategy to tune the anisotropic transport properties of phosphorene by designing stable arsenic-phosphorene (A sxP1 -x ) superlattice (SL). It was found that, with a careful design of As:P ratio and atomic arrangement, the anisotropic transport properties could be tuned in a wide range. The transport current along the zigzag direction, which is very low in pristine phosphorene, was gradually enhanced by increasing the As:P ratio, and even became larger than that along armchair direction when the As:P ratio achieved 1:1 under a given arrangement of As atoms in A sxP1 -x SL. The tunable anisotropic transport properties of A sxP1 -x SL are attributed to the interplay between the different scattering rates related to the number and orientation of As-P interfaces. This finding demonstrates that the A sxP1 -x SL design could be an effective approach to tune the anisotropic electronic properties of monolayer phosphorene, which is important for the development of high-performance electronic and optoelectronic devices based on phosphorene.

  17. Transportation Accessibility and Location Choice of Japanese-Funded Electronic Information Manufacturing Firms in Shanghai

    Directory of Open Access Journals (Sweden)

    Haining Jiang

    2018-02-01

    Full Text Available 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 influence of transportation accessibility on their location choice. The paper first describes firm distribution using the nuclear density estimation method. The Poisson regression model is then used to estimate the significance of transportation accessibility in influencing firm location. The empirical results show that most of the firms are concentrated in the inner suburbs of Shanghai, with only a small number in the outer suburban areas. The spatial coupling relationship between firm distribution and transportation accessibility is significant. These firms tend to choose areas with good accessibility to transportation infrastructure, and, in particular, the effect of airport accessibility is significant. Compared with the joint venture enterprises, wholly-owned Japanese enterprises are more inclined to be in areas with better transportation accessibility.

  18. Methods and apparatus for cooling electronics

    Science.gov (United States)

    Hall, Shawn Anthony; Kopcsay, Gerard Vincent

    2014-12-02

    Methods and apparatus are provided for choosing an energy-efficient coolant temperature for electronics by considering the temperature dependence of the electronics' power dissipation. This dependence is explicitly considered in selecting the coolant temperature T.sub.0 that is sent to the equipment. To minimize power consumption P.sub.Total for the entire system, where P.sub.Total=P.sub.0+P.sub.Cool is the sum of the electronic equipment's power consumption P.sub.0 plus the cooling equipment's power consumption P.sub.Cool, P.sub.Total is obtained experimentally, by measuring P.sub.0 and P.sub.Cool, as a function of three parameters: coolant temperature T.sub.0; weather-related temperature T.sub.3 that affects the performance of free-cooling equipment; and computational state C of the electronic equipment, which affects the temperature dependence of its power consumption. This experiment provides, for each possible combination of T.sub.3 and C, the value T.sub.0* of T.sub.0 that minimizes P.sub.Total. During operation, for any combination of T.sub.3 and C that occurs, the corresponding optimal coolant temperature T.sub.0* is selected, and the cooling equipment is commanded to produce it.

  19. Self-amplified spontaneous emission free electron laser devices and nonideal electron beam transport

    Directory of Open Access Journals (Sweden)

    L. L. Lazzarino

    2014-11-01

    Full Text Available We have developed, at the SPARC test facility, a procedure for a real time self-amplified spontaneous emission free electron laser (FEL device performance control. We describe an actual FEL, including electron and optical beam transport, through a set of analytical formulas, allowing a fast and reliable on-line “simulation” of the experiment. The system is designed in such a way that the characteristics of the transport elements and the laser intensity are measured and adjusted, via a real time computation, during the experimental run, to obtain an on-line feedback of the laser performances. The detail of the procedure and the relevant experimental results are discussed.

  20. Electronic structure and transport on the surface of topological insulator attached to an electromagnetic superlattice

    International Nuclear Information System (INIS)

    Wang Haiyan; Chen Xiongwen; Zhou Xiaoying; Zhang Lebo; Zhou Guanghui

    2012-01-01

    We study the electronic structure and transport for Dirac electron on the surface of a three-dimensional (3D) topological insulator attached to an electromagnetic superlattice. It is found that, by means of the transfer-matrix method, the number of electronic tunneling channels for magnetic barriers in antiparallel alignment is larger than that in parallel alignment, which stems to the energy band structures. Interestingly, a remarkable semiconducting transport behavior appears in this system with a strong magnetic barrier due to low energy band nearly paralleling to the Fermi level. Consequently, there is only small incident angle transport in the higher energy region when the system is modulated mainly by the higher electric barriers. We further find that the spatial distribution of the spin polarization oscillates periodically in the incoming region, but it is almost in-plane with a fixed direction in the transmitting region. The results may provide a further understanding of the nature of 3D TI surface states, and may be useful in the design of topological insulator-based electronic devices such as collimating electron beam.

  1. Analytical methods for predicting contaminant transport

    International Nuclear Information System (INIS)

    Pigford, T.H.

    1989-09-01

    This paper summarizes some of the previous and recent work at the University of California on analytical solutions for predicting contaminate transport in porous and fractured geologic media. Emphasis is given here to the theories for predicting near-field transport, needed to derive the time-dependent source term for predicting far-field transport and overall repository performance. New theories summarized include solubility-limited release rate with flow backfill in rock, near-field transport of radioactive decay chains, interactive transport of colloid and solute, transport of carbon-14 as carbon dioxide in unsaturated rock, and flow of gases out of and a waste container through cracks and penetrations. 28 refs., 4 figs

  2. Development of numerical methods for reactive transport; Developpement de methodes numeriques pour le transport reactif

    Energy Technology Data Exchange (ETDEWEB)

    Bouillard, N

    2006-12-15

    When a radioactive waste is stored in deep geological disposals, it is expected that the waste package will be damaged under water action (concrete leaching, iron corrosion). Then, to understand these damaging processes, chemical reactions and solutes transport are modelled. Numerical simulations of reactive transport can be done sequentially by the coupling of several codes. This is the case of the software platform ALLIANCES which is developed jointly with CEA, ANDRA and EDF. Stiff reactions like precipitation-dissolution are crucial for the radioactive waste storage applications, but standard sequential iterative approaches like Picard's fail in solving rapidly reactive transport simulations with such stiff reactions. In the first part of this work, we focus on a simplified precipitation and dissolution process: a system made up with one solid species and two aqueous species moving by diffusion is studied mathematically. It is assumed that a precipitation dissolution reaction occurs in between them, and it is modelled by a discontinuous kinetics law of unknown sign. By using monotonicity properties, the convergence of a finite volume scheme on admissible mesh is proved. Existence of a weak solution is obtained as a by-product of the convergence of the scheme. The second part is dedicated to coupling algorithms which improve Picard's method and can be easily used in an existing coupling code. By extending previous works, we propose a general and adaptable framework to solve nonlinear systems. Indeed by selecting special options, we can either recover well known methods, like nonlinear conjugate gradient methods, or design specific method. This algorithm has two main steps, a preconditioning one and an acceleration one. This algorithm is tested on several examples, some of them being rather academical and others being more realistic. We test it on the 'three species model'' example. Other reactive transport simulations use an external chemical code CHESS. For a

  3. SEM technique for imaging and measuring electronic transport in nanocomposites based on electric field induced contrast

    Science.gov (United States)

    Jesse, Stephen [Knoxville, TN; Geohegan, David B [Knoxville, TN; Guillorn, Michael [Brooktondale, NY

    2009-02-17

    Methods and apparatus are described for SEM imaging and measuring electronic transport in nanocomposites based on electric field induced contrast. A method includes mounting a sample onto a sample holder, the sample including a sample material; wire bonding leads from the sample holder onto the sample; placing the sample holder in a vacuum chamber of a scanning electron microscope; connecting leads from the sample holder to a power source located outside the vacuum chamber; controlling secondary electron emission from the sample by applying a predetermined voltage to the sample through the leads; and generating an image of the secondary electron emission from the sample. An apparatus includes a sample holder for a scanning electron microscope having an electrical interconnect and leads on top of the sample holder electrically connected to the electrical interconnect; a power source and a controller connected to the electrical interconnect for applying voltage to the sample holder to control the secondary electron emission from a sample mounted on the sample holder; and a computer coupled to a secondary electron detector to generate images of the secondary electron emission from the sample.

  4. Transport in a toroidally confined pure electron plasma

    International Nuclear Information System (INIS)

    Crooks, S.M.; ONeil, T.M.

    1996-01-01

    O close-quote Neil and Smith [T.M. O close-quote Neil and R.A. Smith, Phys. Plasmas 1, 8 (1994)] have argued that a pure electron plasma can be confined stably in a toroidal magnetic field configuration. This paper shows that the toroidal curvature of the magnetic field of necessity causes slow cross-field transport. The transport mechanism is similar to magnetic pumping and may be understood by considering a single flux tube of plasma. As the flux tube of plasma undergoes poloidal ExB drift rotation about the center of the plasma, the length of the flux tube and the magnetic field strength within the flux tube oscillate, and this produces corresponding oscillations in T parallel and T perpendicular . The collisional relaxation of T parallel toward T perpendicular produces a slow dissipation of electrostatic energy into heat and a consequent expansion (cross-field transport) of the plasma. In the limit where the cross section of the plasma is nearly circular the radial particle flux is given by Γ r =1/2ν perpendicular,parallel T(r/ρ 0 ) 2 n/(-e∂Φ/∂r), where ν perpendicular,parallel is the collisional equipartition rate, ρ 0 is the major radius at the center of the plasma, and r is the minor radius measured from the center of the plasma. The transport flux is first calculated using this simple physical picture and then is calculated by solving the drift-kinetic Boltzmann equation. This latter calculation is not limited to a plasma with a circular cross section. copyright 1996 American Institute of Physics

  5. Self-consistent electric field effect on electron transport of ECH plasmas

    International Nuclear Information System (INIS)

    Chan, V.S.; Murakami, S.

    1999-02-01

    An algorithm is proposed which treats the ECH generated potential in a self-consistent way, by extending the Monte-Carlo Fokker-Planck method used by Murakami [S. Murakami et al., Proc. 17th IAEA Fusion Energy Conference, Yokohama, 1998 (International Atomic Energy Agency, Vienna, in press), paper CN-69/TH2/1]. The additional physics is expected to influence the transport of both thermal and suprathermal electrons in a helical toroidal system. (author)

  6. Stoichiometric relationship between energy-dependent proton ejection and electron transport in mitochondria.

    Science.gov (United States)

    Brand, M D; Reynafarje, B; Lehninger, A L

    1976-01-01

    The number of protons ejected during electron transport per pair of electrons per energy-conserving site (the H+/site ratio) was measured in rat liver mitochondria by three different methods under conditions in which transmembrane movements of endogenous phosphate were minized or eliminated. (1) In the Ca2+ pulse method, between 3.5 and 4.0 molecules of 3-hydroxybutyrate and 1.75 to 2.0 Ca2+ ions were accumulated per 2 e- per site during Ca2+ induced electron transport in the presence of rotenone, when measured under conditions in which movements of endogenous phosphate were negligible. Since entry of 3-hydroxybutyrate requires its protonation to the free acid these data correspond to an H+/site ratio of 3.5-4.0 (2) In the oxygen pulse method addition of known amounts of oxygen to anaerobic mitochondria in the presence of substrate yielded H+/site ratios of 3.0 when phosphate transport was eliminated by addition of N-ethylmaleimide or by anaerobic washing to remove endogenous phosphate. In the absence of such measures the observed H+/site ratio was 2.0. (3) In the reductant pulse method measurement of the initial steady rates of H+ ejection and oxygen consumption by mitochondria in an aerobic medium after addition of substrate gave H+/site near 4.0 in the presence of N-ethylmaleimide; in the absence of the inhibitor the observed ratio was only 2.0. These and other experiments reported indicate that the values of 2.0 earlier obtained for the H+/site ratio by Mitchell and Moyle [Biochem J. (1967) 105, 1147-1162] and others were underestimates due to the unrecognized masking of H+ ejection by movements of endogenous phosphate. The results presented here show that the H+/site ratio of mitochondrial electron transport is at least 3.0 and may be as high as 4.0. PMID:1061146

  7. Cross sections for electron and photon processes required by electron-transport calculations

    International Nuclear Information System (INIS)

    Peek, J.M.

    1979-11-01

    Electron-transport calculations rely on a large collection of electron-atom and photon-atom cross-section data to represent the response characteristics of the target medium. These basic atomic-physics quantities, and certain qualities derived from them that are now commonly in use, are critically reviewed. Publications appearing after 1978 are not given consideration. Processes involving electron or photon energies less than 1 keV are ignored, while an attempt is made to exhaustively cover the remaining independent parameters and target possibilities. Cases for which data improvements can be made from existing information are identified. Ranges of parameters for which state-of-the-art data are not available are sought out, and recommendations for explicit measurements and/or calculations with presently available tools are presented. An attempt is made to identify the maturity of the atomic-physics data and to predict the possibilities for rapid changes in the quality of the data. Finally, weaknesses in the state-of-the-art atomic-physics data and in the conceptual usage of these data in the context of electron-transport theory are discussed. Brief attempts are made to weight the various aspects of these questions and to suggest possible remedies

  8. Exponential discontinuous numerical scheme for electron transport in the continuous slowing down approximation

    International Nuclear Information System (INIS)

    Prinja, A.K.

    1997-01-01

    A nonlinear discretization scheme in space and energy, based on the recently developed exponential discontinuous method, is applied to continuous slowing down dominated electron transport (i.e., in the absence of scattering.) Numerical results for dose and charge deposition are obtained and compared against results from the ONELD and ONEBFP codes, and against exact results from an adjoint Monte Carlo code. It is found that although the exponential discontinuous scheme yields strictly positive and monotonic solutions, the dose profile is considerably straggled when compared to results from the linear codes. On the other hand, the linear schemes produce negative results which, furthermore, do not damp effectively in some cases. A general conclusion is that while yielding strictly positive solutions, the exponential discontinuous method does not show the crude cell accuracy for charged particle transport as was apparent for neutral particle transport problems

  9. ICF target 2D modeling using Monte Carlo SNB electron thermal transport in DRACO

    Science.gov (United States)

    Chenhall, Jeffrey; Cao, Duc; Moses, Gregory

    2016-10-01

    The iSNB (implicit Schurtz Nicolai Busquet multigroup diffusion electron thermal transport method is adapted into a Monte Carlo (MC) transport method to better model angular and long mean free path non-local effects. The MC model was first implemented in the 1D LILAC code to verify consistency with the iSNB model. Implementation of the MC SNB model in the 2D DRACO code enables higher fidelity non-local thermal transport modeling in 2D implosions such as polar drive experiments on NIF. The final step is to optimize the MC model by hybridizing it with a MC version of the iSNB diffusion method. The hybrid method will combine the efficiency of a diffusion method in intermediate mean free path regions with the accuracy of a transport method in long mean free path regions allowing for improved computational efficiency while maintaining accuracy. Work to date on the method will be presented. This work was supported by Sandia National Laboratories and the Univ. of Rochester Laboratory for Laser Energetics.

  10. Density-dependent electron transport and precise modeling of GaN high electron mobility transistors

    Energy Technology Data Exchange (ETDEWEB)

    Bajaj, Sanyam, E-mail: bajaj.10@osu.edu; Shoron, Omor F.; Park, Pil Sung; Krishnamoorthy, Sriram; Akyol, Fatih; Hung, Ting-Hsiang [Department of Electrical and Computer Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Reza, Shahed; Chumbes, Eduardo M. [Raytheon Integrated Defense Systems, Andover, Massachusetts 01810 (United States); Khurgin, Jacob [Department of Electrical and Computer Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Rajan, Siddharth [Department of Electrical and Computer Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Department of Material Science and Engineering, The Ohio State University, Columbus, Ohio 43210 (United States)

    2015-10-12

    We report on the direct measurement of two-dimensional sheet charge density dependence of electron transport in AlGaN/GaN high electron mobility transistors (HEMTs). Pulsed IV measurements established increasing electron velocities with decreasing sheet charge densities, resulting in saturation velocity of 1.9 × 10{sup 7 }cm/s at a low sheet charge density of 7.8 × 10{sup 11 }cm{sup −2}. An optical phonon emission-based electron velocity model for GaN is also presented. It accommodates stimulated longitudinal optical (LO) phonon emission which clamps the electron velocity with strong electron-phonon interaction and long LO phonon lifetime in GaN. A comparison with the measured density-dependent saturation velocity shows that it captures the dependence rather well. Finally, the experimental result is applied in TCAD-based device simulator to predict DC and small signal characteristics of a reported GaN HEMT. Good agreement between the simulated and reported experimental results validated the measurement presented in this report and established accurate modeling of GaN HEMTs.

  11. Density-dependent electron transport and precise modeling of GaN high electron mobility transistors

    International Nuclear Information System (INIS)

    Bajaj, Sanyam; Shoron, Omor F.; Park, Pil Sung; Krishnamoorthy, Sriram; Akyol, Fatih; Hung, Ting-Hsiang; Reza, Shahed; Chumbes, Eduardo M.; Khurgin, Jacob; Rajan, Siddharth

    2015-01-01

    We report on the direct measurement of two-dimensional sheet charge density dependence of electron transport in AlGaN/GaN high electron mobility transistors (HEMTs). Pulsed IV measurements established increasing electron velocities with decreasing sheet charge densities, resulting in saturation velocity of 1.9 × 10 7  cm/s at a low sheet charge density of 7.8 × 10 11  cm −2 . An optical phonon emission-based electron velocity model for GaN is also presented. It accommodates stimulated longitudinal optical (LO) phonon emission which clamps the electron velocity with strong electron-phonon interaction and long LO phonon lifetime in GaN. A comparison with the measured density-dependent saturation velocity shows that it captures the dependence rather well. Finally, the experimental result is applied in TCAD-based device simulator to predict DC and small signal characteristics of a reported GaN HEMT. Good agreement between the simulated and reported experimental results validated the measurement presented in this report and established accurate modeling of GaN HEMTs

  12. Enzymology of Electron Transport: Energy Generation with Geochemical Consequences

    Energy Technology Data Exchange (ETDEWEB)

    Dichristina, Thomas J.; Fredrickson, Jim K.; Zachara, John M.

    2005-12-20

    Dissimilatory metal-reducing bacteria (DMRB) are important components of the microbial community residing in redox-stratified freshwater and marine environments. DMRB occupy a central position in the biogeochemical cycles of metals, metalloids and radionuclides, and serve as catalysts for a variety of other environmentally important processes including biomineralization, biocorrosion, bioremediation and mediators of ground water quality. DMRB are presented, however, with a unique physiological challenge: they are required to respire anaerobically on terminal electron acceptors which are either highly insoluble (e.g., Fe(III)- and Mn(IV)-oxides) and reduced to soluble end-products or highly soluble (e.g., U(VI) and Tc(VII)) and reduced to insoluble end-products. To overcome physiological problems associated with metal and radionuclide solubility, DMRB are postulated to employ a variety of novel respiratory strategies not found in other gram-negative bacteria which respire on soluble electron acceptors such as O2, NO3- and SO42-. The novel respiratory strategies include (1) direct enzymatic reduction at the outer membrane, (2) electron shuttling pathways and (3) metal solubilization by exogenous or bacterially-produced organic ligands followed by reduction of soluble organic-metal compounds. The first section of this chapter highlights the latest findings on the enzymatic mechanisms of metal and radionuclide reduction by two of the most extensively studied DMRB (Geobacter and Shewanella), with particular emphasis on electron transport chain enzymology. The second section emphasizes the geochemical consequences of DMRB activity, including the direct and indirect effects on metal solubility, the reductive transformation of Fe- and Mn-containing minerals, and the biogeochemical cycling of metals at redox interfaces in chemically stratified environments.

  13. Enzymology of Electron Transport: Energy Generation with Geochemical Consequences

    International Nuclear Information System (INIS)

    Dichristina, Thomas J.; Fredrickson, Jim K.; Zachara, John M.

    2005-01-01

    Dissimilatory metal-reducing bacteria (DMRB) are important components of the microbial community residing in redox-stratified freshwater and marine environments. DMRB occupy a central position in the biogeochemical cycles of metals, metalloids and radionuclides, and serve as catalysts for a variety of other environmentally important processes including biomineralization, biocorrosion, bioremediation and mediators of ground water quality. DMRB are presented, however, with a unique physiological challenge: they are required to respire anaerobically on terminal electron acceptors which are either highly insoluble (e.g., Fe(III)- and Mn(IV)-oxides) and reduced to soluble end-products or highly soluble (e.g., U(VI) and Tc(VII)) and reduced to insoluble end-products. To overcome physiological problems associated with metal and radionuclide solubility, DMRB are postulated to employ a variety of novel respiratory strategies not found in other gram-negative bacteria which respire on soluble electron acceptors such as O2, NO3- and SO42-. The novel respiratory strategies include (1) direct enzymatic reduction at the outer membrane, (2) electron shuttling pathways and (3) metal solubilization by exogenous or bacterially-produced organic ligands followed by reduction of soluble organic-metal compounds. The first section of this chapter highlights the latest findings on the enzymatic mechanisms of metal and radionuclide reduction by two of the most extensively studied DMRB (Geobacter and Shewanella), with particular emphasis on electron transport chain enzymology. The second section emphasizes the geochemical consequences of DMRB activity, including the direct and indirect effects on metal solubility, the reductive transformation of Fe- and Mn-containing minerals, and the biogeochemical cycling of metals at redox interfaces in chemically stratified environments

  14. Standardless quantification methods in electron probe microanalysis

    Energy Technology Data Exchange (ETDEWEB)

    Trincavelli, Jorge, E-mail: trincavelli@famaf.unc.edu.ar [Facultad de Matemática, Astronomía y Física, Universidad Nacional de Córdoba, Ciudad Universitaria, 5000 Córdoba (Argentina); Instituto de Física Enrique Gaviola, Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina, Medina Allende s/n, Ciudad Universitaria, 5000 Córdoba (Argentina); Limandri, Silvina, E-mail: s.limandri@conicet.gov.ar [Facultad de Matemática, Astronomía y Física, Universidad Nacional de Córdoba, Ciudad Universitaria, 5000 Córdoba (Argentina); Instituto de Física Enrique Gaviola, Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina, Medina Allende s/n, Ciudad Universitaria, 5000 Córdoba (Argentina); Bonetto, Rita, E-mail: bonetto@quimica.unlp.edu.ar [Centro de Investigación y Desarrollo en Ciencias Aplicadas Dr. Jorge Ronco, Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina, Facultad de Ciencias Exactas, de la Universidad Nacional de La Plata, Calle 47 N° 257, 1900 La Plata (Argentina)

    2014-11-01

    The elemental composition of a solid sample can be determined by electron probe microanalysis with or without the use of standards. The standardless algorithms are quite faster than the methods that require standards; they are useful when a suitable set of standards is not available or for rough samples, and also they help to solve the problem of current variation, for example, in equipments with cold field emission gun. Due to significant advances in the accuracy achieved during the last years, product of the successive efforts made to improve the description of generation, absorption and detection of X-rays, the standardless methods have increasingly become an interesting option for the user. Nevertheless, up to now, algorithms that use standards are still more precise than standardless methods. It is important to remark, that care must be taken with results provided by standardless methods that normalize the calculated concentration values to 100%, unless an estimate of the errors is reported. In this work, a comprehensive discussion of the key features of the main standardless quantification methods, as well as the level of accuracy achieved by them is presented. - Highlights: • Standardless methods are a good alternative when no suitable standards are available. • Their accuracy reaches 10% for 95% of the analyses when traces are excluded. • Some of them are suitable for the analysis of rough samples.

  15. Electron cyclotron absorption in Tokamak plasmas in the presence of radial transport of particles

    International Nuclear Information System (INIS)

    Rosa, Paulo R. da S.; Ziebell, Luiz F.

    1998-01-01

    We use quasilinear theory to study effects of particle radial transport on the electron cyclotron absorption coefficient by a current carrying plasma, in a tokamak modelated as a plasma slab. Our numerical results indicate significant modification in the profile of the electron cyclotron absorption coefficient when transport is taken into account relative to the situation without transport. (author)

  16. 31 CFR 203.10 - Electronic payment methods.

    Science.gov (United States)

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false Electronic payment methods. 203.10... TAX AND LOAN PROGRAM Electronic Federal Tax Payments § 203.10 Electronic payment methods. (a) General. Electronic payment methods for Federal tax payments available under this subpart include ACH debit entries...

  17. Ab initio nonequilibrium quantum transport and forces with the real-space projector augmented wave method

    DEFF Research Database (Denmark)

    Chen, Jingzhe; Thygesen, Kristian S.; Jacobsen, Karsten W.

    2012-01-01

    We present an efficient implementation of a nonequilibrium Green's function method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of density functional theory using the projector augmented wave method...... over k points and real space makes the code highly efficient and applicable to systems containing several hundreds of atoms. The method is applied to a number of different systems, demonstrating the effects of bias and gate voltages, multiterminal setups, nonequilibrium forces, and spin transport....

  18. Test of models for electron transport in laser produced plasmas

    International Nuclear Information System (INIS)

    Colombant, D.G.; Manheimer, W.M.; Busquet, M.

    2005-01-01

    This paper examines five different models of electron thermal transport in laser produced spherical implosions. These are classical, classical with a flux limit f, delocalization, beam deposition model, and Fokker-Planck solutions. In small targets, the results are strongly dependent on f for flux limit models, with small f's generating very steep temperature gradients. Delocalization models are characterized by large preheat in the center of the target. The beam deposition model agrees reasonably well with the Fokker-Planck simulation results. For large, high gain fusion targets, the delocalization model shows the gain substantially reduced by the preheat. However, flux limitation models show gain largely independent of f, with the beam deposition model also showing the same high gain

  19. Transport and acceleration of low-emittance electron beams

    International Nuclear Information System (INIS)

    Henke, H.

    1989-01-01

    Linear accelerators for colliders and for free-electron lasers require beams with both high brightness and low emittance. Their transport and acceleration is limited by single-particle effects originating from injection jitter, from the unavoidable position jitter of components, and from chromaticity. Collective phenomena, essentially due to wake fields acting within the bunch, are most severe in the case of high-frequency structures, i.e. a small aperture. Whilst, in the past, the transverse wake-field effects were believed to be most serious, we know that they can even be beneficial when inducing a corresponding spread in betatron oscillation either by an energy spread along the bunch or by an RF focusing system acting on the bunch scale. This paper evaluates the different effects by simple analytical means after making use of the smooth focusing approximation and the two-particle model. Numerical simulation results are used for verification. 14 refs., 6 figs., 2 tabs

  20. Hot Electron Generation and Transport Using Kα Emission

    International Nuclear Information System (INIS)

    Akli, K.U.; Stephens, R.B.; Key, M.H.; Bartal, T.; Beg, F.N.; Chawla, S.; Chen, C.D.; Fedosejevs, R.; Freeman, R.R.; Friesen, H.; Giraldez, E.; Green, J.S.; Hey, D.S.; Higginson, D.P.; Hund, J.; Jarrott, L.C.; Kemp, G.E.; King, J.A.; Kryger, A.; Lancaster, K.; LePape, S.; Link, A.; Ma, T.; Mackinnon, A.J.; MacPhee, A.G.; McLean, H.S.; Murphy, C.; Norreys, P.A.; Ovchinnikov, V.; Patel, P.K.; Ping, Y.; Sawada, H.; Schumacher, D.; Theobald, W.; Tsui, Y.Y.; Van Woerkom, L.D.; Wei, M.S.; Westover, B.; Yabuuchi, T.

    2010-01-01

    We have conducted experiments on both the Vulcan and Titan laser facilities to study hot electron generation and transport in the context of fast ignition. Cu wires attached to Al cones were used to investigate the effect on coupling efficiency of plasma surround and the pre-formed plasma inside the cone. We found that with thin cones 15% of laser energy is coupled to the 40(micro)m diameter wire emulating a 40(micro)m fast ignition spot. Thick cone walls, simulating plasma in fast ignition, reduce coupling by x4. An increase of prepulse level inside the cone by a factor of 50 reduces coupling by a factor of 3.

  1. Effect of doping on the electron transport in polyfluorene

    Energy Technology Data Exchange (ETDEWEB)

    Bajpai, Manisha, E-mail: mansa83@gmail.com [Soft Materials Research Laboratory, Centre of Material Sciences, Institute of Interdisciplinary Studies, University of Allahabad, Allahabad, 211002 (India); Department of Physics, Banaras Hindu University, Varanasi-221005 (India); Srivastava, Ritu [Physics for Energy Harvesting Division, National Physical Laboratory (Council of Scientific and Industrial Research), Dr K. S. Krishnan Road, New Delhi 110012 (India); Dhar, Ravindra [Soft Materials Research Laboratory, Centre of Material Sciences, Institute of Interdisciplinary Studies, University of Allahabad, Allahabad, 211002 (India); Tiwari, R. S. [Department of Physics, Banaras Hindu University, Varanasi-221005 (India)

    2016-05-06

    In this paper, electron transport of pure and DMC doped polyfluorne (PF) films have been studied at various doping concentrations. Pure films show space charge limited conduction with field and temperature dependent mobility. The J–V characteristics of doped PF were ohmic at low voltages due to thermally released carriers from dopant states. At higher voltages the current density increases nonlinearly due to field dependent mobility and carrier concentration thereby filling of tail states of HOMO of the host. The conductivity of doped films were analyzed using the Unified Gaussian Disorder Model (UGDM). The carrier concentration obtained from the fitting show a non-linear dependence on doping concentration which may be due to a combined effect of thermally activated carrier generation and increased carrier mobility.

  2. ETMB-RBF: discrimination of metal-binding sites in electron transporters based on RBF networks with PSSM profiles and significant amino acid pairs.

    Science.gov (United States)

    Ou, Yu-Yen; Chen, Shu-An; Wu, Sheng-Cheng

    2013-01-01

    Cellular respiration is the process by which cells obtain energy from glucose and is a very important biological process in living cell. As cells do cellular respiration, they need a pathway to store and transport electrons, the electron transport chain. The function of the electron transport chain is to produce a trans-membrane proton electrochemical gradient as a result of oxidation-reduction reactions. In these oxidation-reduction reactions in electron transport chains, metal ions play very important role as electron donor and acceptor. For example, Fe ions are in complex I and complex II, and Cu ions are in complex IV. Therefore, to identify metal-binding sites in electron transporters is an important issue in helping biologists better understand the workings of the electron transport chain. We propose a method based on Position Specific Scoring Matrix (PSSM) profiles and significant amino acid pairs to identify metal-binding residues in electron transport proteins. We have selected a non-redundant set of 55 metal-binding electron transport proteins as our dataset. The proposed method can predict metal-binding sites in electron transport proteins with an average 10-fold cross-validation accuracy of 93.2% and 93.1% for metal-binding cysteine and histidine, respectively. Compared with the general metal-binding predictor from A. Passerini et al., the proposed method can improve over 9% of sensitivity, and 14% specificity on the independent dataset in identifying metal-binding cysteines. The proposed method can also improve almost 76% sensitivity with same specificity in metal-binding histidine, and MCC is also improved from 0.28 to 0.88. We have developed a novel approach based on PSSM profiles and significant amino acid pairs for identifying metal-binding sites from electron transport proteins. The proposed approach achieved a significant improvement with independent test set of metal-binding electron transport proteins.

  3. Electron scattering in graphene by defects in underlying h-BN layer: First-principles transport calculations

    Science.gov (United States)

    Kaneko, Tomoaki; Ohno, Takahisa

    2018-03-01

    We investigate the electronic structure and the transport properties of graphene adsorbed onto h-BN with carbon impurities or atomic vacancies using density functional theory and the non-equilibrium Green's function method. We find that the transport properties are degraded due to carrier doping and scattering off of localized defect states in h-BN. When graphene is doped by introducing defects in h-BN, the transmission spectra become asymmetric owing to the reduction of the electronic density of states, which contributes significantly to the degradation of graphene transport properties as compared with the effect of defect levels.

  4. Electronic transport on the spatial structure of the protein: Three-dimensional lattice model

    International Nuclear Information System (INIS)

    Sarmento, R.G.; Frazão, N.F.; Macedo-Filho, A.

    2017-01-01

    Highlights: • The electronic transport on the structure of the three-dimensional lattice model of the protein is studied. • The signing of the current–voltage is directly affected by permutations of the weak bonds in the structure. • Semiconductor behave of the proteins suggest a potential application in the development of novel biosensors. - Abstract: We report a numerical analysis of the electronic transport in protein chain consisting of thirty-six standard amino acids. The protein chains studied have three-dimensional structure, which can present itself in three distinct conformations and the difference consist in the presence or absence of thirteen hydrogen-bondings. Our theoretical method uses an electronic tight-binding Hamiltonian model, appropriate to describe the protein segments modeled by the amino acid chain. We note that the presence and the permutations between weak bonds in the structure of proteins are directly related to the signing of the current–voltage. Furthermore, the electronic transport depends on the effect of temperature. In addition, we have found a semiconductor behave in the models investigated and it suggest a potential application in the development of novel biosensors for molecular diagnostics.

  5. Effects of electron-phonon interaction on thermal and electrical transport through molecular nano-conductors

    Energy Technology Data Exchange (ETDEWEB)

    Lü, Jing-Tao, E-mail: jtlu@hust.edu.cn [School of Physics, Huazhong University of Science and Technology, 430074 Wuhan (China); Zhou, Hangbo [Department of Physics and Center for Computational Science and Engineering, National University of Singapore, 117551 Singapore (Singapore); NUS Graduate School for Integrative Sciences and Engineering, National University of Singapore, 117456 Singapore (Singapore); Jiang, Jin-Wu [Shanghai Institute of Applied Mathematics and Mechanics, Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai University, 200072 Shanghai (China); Wang, Jian-Sheng [Department of Physics and Center for Computational Science and Engineering, National University of Singapore, 117551 Singapore (Singapore)

    2015-05-15

    The topic of this review is the effects of electron-phonon interaction (EPI) on the transport properties of molecular nano-conductors. A nano-conductor connects to two electron leads and two phonon leads, possibly at different temperatures or chemical potentials. The EPI appears only in the nano-conductor. We focus on its effects on charge and energy transport. We introduce three approaches. For weak EPI, we use the nonequilibrium Green’s function method to treat it perturbatively. We derive the expressions for the charge and heat currents. For weak system-lead couplings, we use the quantum master equation approach. In both cases, we use a simple single level model to study the effects of EPI on the system’s thermoelectric transport properties. It is also interesting to look at the effect of currents on the dynamics of the phonon system. For this, we derive a semi-classical generalized Langevin equation to describe the nano-conductor’s atomic dynamics, taking the nonequilibrium electron system, as well as the rest of the atomic degrees of freedom as effective baths. We show simple applications of this approach to the problem of energy transfer between electrons and phonons.

  6. Electronic transport on the spatial structure of the protein: Three-dimensional lattice model

    Energy Technology Data Exchange (ETDEWEB)

    Sarmento, R.G. [Departamento de Ciências Biológicas, Universidade Federal do Piauí, 64800-000 Floriano, PI (Brazil); Frazão, N.F. [Centro de Educação e Saúde, Universidade Federal de Campina Grande, 581750-000 Cuité, PB (Brazil); Macedo-Filho, A., E-mail: amfilho@gmail.com [Campus Prof. Antonio Geovanne Alves de Sousa, Universidade Estadual do Piauí, 64260-000 Piripiri, PI (Brazil)

    2017-01-30

    Highlights: • The electronic transport on the structure of the three-dimensional lattice model of the protein is studied. • The signing of the current–voltage is directly affected by permutations of the weak bonds in the structure. • Semiconductor behave of the proteins suggest a potential application in the development of novel biosensors. - Abstract: We report a numerical analysis of the electronic transport in protein chain consisting of thirty-six standard amino acids. The protein chains studied have three-dimensional structure, which can present itself in three distinct conformations and the difference consist in the presence or absence of thirteen hydrogen-bondings. Our theoretical method uses an electronic tight-binding Hamiltonian model, appropriate to describe the protein segments modeled by the amino acid chain. We note that the presence and the permutations between weak bonds in the structure of proteins are directly related to the signing of the current–voltage. Furthermore, the electronic transport depends on the effect of temperature. In addition, we have found a semiconductor behave in the models investigated and it suggest a potential application in the development of novel biosensors for molecular diagnostics.

  7. Effects of electron-phonon interaction on thermal and electrical transport through molecular nano-conductors

    International Nuclear Information System (INIS)

    Lü, Jing-Tao; Zhou, Hangbo; Jiang, Jin-Wu; Wang, Jian-Sheng

    2015-01-01

    The topic of this review is the effects of electron-phonon interaction (EPI) on the transport properties of molecular nano-conductors. A nano-conductor connects to two electron leads and two phonon leads, possibly at different temperatures or chemical potentials. The EPI appears only in the nano-conductor. We focus on its effects on charge and energy transport. We introduce three approaches. For weak EPI, we use the nonequilibrium Green’s function method to treat it perturbatively. We derive the expressions for the charge and heat currents. For weak system-lead couplings, we use the quantum master equation approach. In both cases, we use a simple single level model to study the effects of EPI on the system’s thermoelectric transport properties. It is also interesting to look at the effect of currents on the dynamics of the phonon system. For this, we derive a semi-classical generalized Langevin equation to describe the nano-conductor’s atomic dynamics, taking the nonequilibrium electron system, as well as the rest of the atomic degrees of freedom as effective baths. We show simple applications of this approach to the problem of energy transfer between electrons and phonons

  8. Molecular electronics--resonant transport through single molecules.

    Science.gov (United States)

    Lörtscher, Emanuel; Riel, Heike

    2010-01-01

    The mechanically controllable break-junction technique (MCBJ) enables us to investigate charge transport through an individually contacted and addressed molecule in ultra-high vacuum (UHV) environment at variable temperature ranging from room temperature down to 4 K. Using a statistical measurement and analysis approach, we acquire current-voltage (I-V) characteristics during the repeated formation, manipulation, and breaking of a molecular junction. At low temperatures, voltages accessing the first molecular orbitals in resonance can be applied, providing spectroscopic information about the junction's energy landscape, in particular about the molecular level alignment in respect to the Fermi energy of the electrodes. Thereby, we can investigate the non-linear transport properties of various types of functional molecules and explore their potential use as functional building blocks for future nano-electronics. An example will be given by the reversible and controllable switching between two distinct conductive states of a single molecule. As a proof-of-principle for functional molecular devices, a single-molecule memory element will be demonstrated.

  9. Acceleration methods for assembly-level transport calculations

    International Nuclear Information System (INIS)

    Adams, Marvin L.; Ramone, Gilles

    1995-01-01

    A family acceleration methods for the iterations that arise in assembly-level transport calculations is presented. A single iteration in these schemes consists of a transport sweep followed by a low-order calculation which is itself a simplified transport problem. It is shown that a previously-proposed method fitting this description is unstable in two and three dimensions. It is presented a family of methods and shown that some members are unconditionally stable. (author). 8 refs, 4 figs, 4 tabs

  10. Simulation of electron beam formation and transport in a gas-filled electron-optical system with a plasma emitter

    Energy Technology Data Exchange (ETDEWEB)

    Grishkov, A. A. [Russian Academy of Sciences, Institute of High Current Electronics, Siberian Branch (Russian Federation); Kornilov, S. Yu., E-mail: kornilovsy@gmail.com; Rempe, N. G. [Tomsk State University of Control Systems and Radioelectronics (Russian Federation); Shidlovskiy, S. V. [Tomsk State University (Russian Federation); Shklyaev, V. A. [Russian Academy of Sciences, Institute of High Current Electronics, Siberian Branch (Russian Federation)

    2016-07-15

    The results of computer simulations of the electron-optical system of an electron gun with a plasma emitter are presented. The simulations are performed using the KOBRA3-INP, XOOPIC, and ANSYS codes. The results describe the electron beam formation and transport. The electron trajectories are analyzed. The mechanisms of gas influence on the energy inhomogeneity of the beam and its current in the regions of beam primary formation, acceleration, and transport are described. Recommendations for optimizing the electron-optical system with a plasma emitter are presented.

  11. Parallel FE Electron-Photon Transport Analysis on 2-D Unstructured Mesh

    International Nuclear Information System (INIS)

    Drumm, C.R.; Lorenz, J.

    1999-01-01

    A novel solution method has been developed to solve the coupled electron-photon transport problem on an unstructured triangular mesh. Instead of tackling the first-order form of the linear Boltzmann equation, this approach is based on the second-order form in conjunction with the conventional multi-group discrete-ordinates approximation. The highly forward-peaked electron scattering is modeled with a multigroup Legendre expansion derived from the Goudsmit-Saunderson theory. The finite element method is used to treat the spatial dependence. The solution method is unique in that the space-direction dependence is solved simultaneously, eliminating the need for the conventional inner iterations, a method that is well suited for massively parallel computers

  12. Development of numerical methods for reactive transport; Developpement de methodes numeriques pour le transport reactif

    Energy Technology Data Exchange (ETDEWEB)

    Bouillard, N

    2006-12-15

    When a radioactive waste is stored in deep geological disposals, it is expected that the waste package will be damaged under water action (concrete leaching, iron corrosion). Then, to understand these damaging processes, chemical reactions and solutes transport are modelled. Numerical simulations of reactive transport can be done sequentially by the coupling of several codes. This is the case of the software platform ALLIANCES which is developed jointly with CEA, ANDRA and EDF. Stiff reactions like precipitation-dissolution are crucial for the radioactive waste storage applications, but standard sequential iterative approaches like Picard's fail in solving rapidly reactive transport simulations with such stiff reactions. In the first part of this work, we focus on a simplified precipitation and dissolution process: a system made up with one solid species and two aqueous species moving by diffusion is studied mathematically. It is assumed that a precipitation dissolution reaction occurs in between them, and it is modelled by a discontinuous kinetics law of unknown sign. By using monotonicity properties, the convergence of a finite volume scheme on admissible mesh is proved. Existence of a weak solution is obtained as a by-product of the convergence of the scheme. The second part is dedicated to coupling algorithms which improve Picard's method and can be easily used in an existing coupling code. By extending previous works, we propose a general and adaptable framework to solve nonlinear systems. Indeed by selecting special options, we can either recover well known methods, like nonlinear conjugate gradient methods, or design specific method. This algorithm has two main steps, a preconditioning one and an acceleration one. This algorithm is tested on several examples, some of them being rather academical and others being more realistic. We test it on the 'three species model'' example. Other reactive transport simulations use an external

  13. Application of Macro Response Monte Carlo method for electron spectrum simulation

    International Nuclear Information System (INIS)

    Perles, L.A.; Almeida, A. de

    2007-01-01

    During the past years several variance reduction techniques for Monte Carlo electron transport have been developed in order to reduce the electron computation time transport for absorbed dose distribution. We have implemented the Macro Response Monte Carlo (MRMC) method to evaluate the electron spectrum which can be used as a phase space input for others simulation programs. Such technique uses probability distributions for electron histories previously simulated in spheres (called kugels). These probabilities are used to sample the primary electron final state, as well as the creation secondary electrons and photons. We have compared the MRMC electron spectra simulated in homogeneous phantom against the Geant4 spectra. The results showed an agreement better than 6% in the spectra peak energies and that MRMC code is up to 12 time faster than Geant4 simulations

  14. Method of transporting radioactive slurry-like wastes

    Energy Technology Data Exchange (ETDEWEB)

    Kamiya, K; Yusa, H; Sugimoto, Y

    1975-06-30

    The object is to prevent blockage of a transporting tube to positively and effectively transport radioactive slurry wastes. A method of transporting radioactive slurry-like wastes produced in an atomic power plant, wherein liquid wastes produced in the power plant are diluted to form into a driving liquid, by which said radioactive slurry-like wastes are transported within the pipe, and said driving liquid is recovered as the liquid waste.

  15. Numerical fluid solutions for nonlocal electron transport in hot plasmas: Equivalent diffusion versus nonlocal source

    International Nuclear Information System (INIS)

    Colombant, Denis; Manheimer, Wallace

    2010-01-01

    Flux limitation and preheat are important processes in electron transport occurring in laser produced plasmas. The proper calculation of both of these has been a subject receiving much attention over the entire lifetime of the laser fusion project. Where nonlocal transport (instead of simple single flux limit) has been modeled, it has always been with what we denote the equivalent diffusion solution, namely treating the transport as only a diffusion process. We introduce here a new approach called the nonlocal source solution and show it is numerically viable for laser produced plasmas. It turns out that the equivalent diffusion solution generally underestimates preheat. Furthermore, the advance of the temperature front, and especially the preheat, can be held up by artificial 'thermal barriers'. The nonlocal source method of solution, on the other hand more accurately describes preheat and can stably calculate the solution for the temperature even if the heat flux is up the gradient.

  16. Fermionic renormalization group methods for transport through inhomogeneous Luttinger liquids

    International Nuclear Information System (INIS)

    Meden, V; Schoeller, H; Andergassen, S; Enss, T; Schoenhammer, K

    2008-01-01

    We compare two fermionic renormalization group (RG) methods which have been used to investigate the electronic transport properties of one-dimensional metals with two-particle interaction (Luttinger liquids) and local inhomogeneities. The first one is a poor man's method set-up to resum 'leading-log' divergences of the effective transmission at the Fermi momentum. Generically the resulting equations can be solved analytically. The second approach is based on the functional RG (fRG) method and leads to a set of differential equations which can only for certain set-ups and in limiting cases be solved analytically, while in general it must be integrated numerically. Both methods are claimed to be applicable for inhomogeneities of arbitrary strength and to capture effects of the two-particle interaction, such as interaction dependent exponents, up to leading order. We critically review this for the simplest case of a single impurity. While on first glance the poor man's approach seems to describe the crossover from the 'perfect' to the 'open chain fixed point' we collect evidence that difficulties may arise close to the 'perfect chain fixed point'. Due to a subtle relation between the scaling dimensions of the two fixed points this becomes apparent only in a detailed analysis. In the fRG method the coupling of the different scattering channels is kept which leads to a better description of the underlying physics

  17. Effect of electronic contribution on temperature-dependent thermal transport of antimony telluride thin film

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Won-Yong; Park, No-Won [Department of Physics, Chung-Ang University, Seoul 156-756 (Korea, Republic of); Hong, Ji-Eun [Department of Materials Engineering, Chungnam National University, Daejeon 305-764 (Korea, Republic of); Yoon, Soon-Gil, E-mail: sgyoon@cnu.ac.kr [Department of Materials Engineering, Chungnam National University, Daejeon 305-764 (Korea, Republic of); Koh, Jung-Hyuk [School of Electrical and Electronics Engineering, Chung-Ang University, Seoul 156-756 (Korea, Republic of); Lee, Sang-Kwon, E-mail: sangkwonlee@cau.ac.kr [Department of Physics, Chung-Ang University, Seoul 156-756 (Korea, Republic of)

    2015-01-25

    Highlights: • We investigated thermal transport of the antimony telluride thin films. • The contribution of the electronic thermal conductivity increased up to ∼77% at 300 K. • We theoretically analyze and explain the high contribution of electronic component. - Abstract: We study the theoretical and experimental characteristics of thermal transport of 100 nm and 500 nm-thick antimony telluride (Sb{sub 2}Te{sub 3}) thin films prepared by radio frequency magnetron sputtering. The thermal conductivity was measured at temperatures ranging from 20 to 300 K, using four-point-probe 3-ω method. Out-of-plane thermal conductivity of the Sb{sub 2}Te{sub 3} thin film was much lesser in comparison to the bulk material in the entire temperature range, confirming that the phonon- and electron-boundary scattering are enhanced in thin films. Moreover, we found that the contribution of the electronic thermal conductivity (κ{sub e}) in total thermal conductivity (κ) linearly increased up to ∼77% at 300 K with increasing temperature. We theoretically analyze and explain the high contribution of electronic component of thermal conductivity towards the total thermal conductivity of the film by a modified Callaway model. Further, we find the theoretical model predictions to correspond well with the experimental results.

  18. Evaluation of alternative public transportation systems in Izmit urban transportation via axiomatic design method

    Directory of Open Access Journals (Sweden)

    Gülşen AKMAN

    2016-02-01

    Full Text Available In the world and in our country, most of urban transportation is performed by public transportation. Public transportation is a system which provides transportation easiness and opportunity to people, not to vehicles. Therefore, giving priority to public transportation system is necessary in organizing urban transportation. In this study, in order to reduce traffic intensity and to facilitate passenger transportation in Izmit urban transportation, It is tried to determine appropriate public transportation system. For this, firstly, alternatives which could be used for public transportation were determined. These alternatives are metro, metrobus, tram, light rail system and monorail. Afterwards, the variables affecting decision making about public transportation were determined. These variables are cost, transportation line features, vehicle characteristics, sensitivity to environment and customer satisfaction. Lastly, most appropriate public transportation system is proposed by using the axiomatic design method. As a result, light trail system and metrobus are determined as the most appropriate alternatives for Izmit public transportation system.Keywords: Urban transportation, Multi criteria decision making, Axiomatic design

  19. Sanitation methods using high energy electron beams

    International Nuclear Information System (INIS)

    Levaillant, C.; Gallien, C.L.

    1979-01-01

    Short recycling of waste water and the use of liquid or dehydrated sludge as natural manure for agriculture or animal supplement feed is of great economical and ecological interest. It implies strong biological and chemical disinfection. Ionizing radiations produced by radioactive elements or linear accelerators can be used as a complement of conventional methods in the treatment of liquid and solid waste. An experiment conducted with high-energy electron-beam linear accelerators is presented. Degradation of undesirable metabolites in water occurs for a dose of 50 kRad. Undesirable seeds present in sludge are destroyed with a 200 kRad dose. A 300 kRad dose is sufficient for parasitic and bacterial disinfection (DL 90). Destruction of polio virus (DL 90) is obtained for 400 kRad. Higher doses (1000 to 2000 kRad) produce mineralization of toxic organic mercury, reduce some chemical toxic pollutants present in sludge and improve flocculation. (author)

  20. Electron-temperature-gradient-driven drift waves and anomalous electron energy transport

    International Nuclear Information System (INIS)

    Shukla, P.K.; Murtaza, G.; Weiland, J.

    1990-01-01

    By means of a kinetic description for ions and Braginskii's fluid model for electrons, three coupled nonlinear equations governing the dynamics of low-frequency short-wavelength electrostatic waves in the presence of equilibrium density temperature and magnetic-field gradients in a two-component magnetized plasma are derived. In the linear limit a dispersion relation that admits new instabilities of drift waves is presented. An estimate of the anomalous electron energy transport due to non-thermal drift waves is obtained by making use of the saturated wave potential, which is deduced from the mixing-length hypothesis. Stationary solutions of the nonlinear equations governing the interaction of linearly unstable drift waves are also presented. The relevance of this investigation to wave phenomena in space and laboratory plasmas is pointed out. (author)

  1. Humidity effects on the electronic transport properties in carbon based nanoscale device

    International Nuclear Information System (INIS)

    He, Jun; Chen, Ke-Qiu

    2012-01-01

    By applying nonequilibrium Green's functions in combination with the density functional theory, we investigate the effect of humidity on the electronic transport properties in carbon based nanoscale device. The results show that different humidity may form varied localized potential barrier, which is a very important factor to affect the stability of electronic transport in the nanoscale system. A mechanism for the humidity effect is suggested. -- Highlights: ► Electronic transport in carbon based nanoscale device. ► Humidity affects the stability of electronic transport. ► Different humidity may form varied localized potential barrier.

  2. A method for solving neutron transport equation

    International Nuclear Information System (INIS)

    Dimitrijevic, Z.

    1993-01-01

    The procedure for solving the transport equation by directly integrating for case one-dimensional uniform multigroup medium is shown. The solution is expressed in terms of linear combination of function H n (x,μ), and the coefficient is determined from given conditions. The solution is applied for homogeneous slab of critical thickness. (author)

  3. New methods in efficient coal transportation

    Energy Technology Data Exchange (ETDEWEB)

    Monroe, C.O.; Wolach, D.G.; Alexander, A.B. [Savage Industries Inc., Salt Lake City, UT (United States)

    1998-10-01

    With the increasing trend towards railroad mergers in the USA, there is a growing awareness of competition and of the need for railroads to ensure a better value service. This paper discusses the concept of business process outsourcing and its potential to provide an efficient and integrated transport system for coal handling. Examples at US coal distribution facilities are given. 6 photos., 1 fig.

  4. Radiobiological application of simulation of low-energy electron transport in liquid water

    International Nuclear Information System (INIS)

    Eudaldo Puell, Teresa.

    1979-01-01

    A Monte-Carlo transport simulation method, so-called event-after-event method provide results about trajectories of low-energy electrons, slowing-down in liquid water. A radiosensitive target model constituted by water cylindrical volumes, like the ones which surround the DNA molecule, is taken into consideration. The results characterizing the primary physical stage of radiation action, such as, space ionization distributions, interionization distance distributions ..., are obtained in some configurations constituted by single or several targets, in order to approach the biological reality [fr

  5. Methods for producing thin film charge selective transport layers

    Science.gov (United States)

    Hammond, Scott Ryan; Olson, Dana C.; van Hest, Marinus Franciscus Antonius Maria

    2018-01-02

    Methods for producing thin film charge selective transport layers are provided. In one embodiment, a method for forming a thin film charge selective transport layer comprises: providing a precursor solution comprising a metal containing reactive precursor material dissolved into a complexing solvent; depositing the precursor solution onto a surface of a substrate to form a film; and forming a charge selective transport layer on the substrate by annealing the film.

  6. Mesoporous Zn2SnO4 as effective electron transport materials for high-performance perovskite solar cells

    International Nuclear Information System (INIS)

    Bao, Sha; Wu, Jihuai; He, Xin; Tu, Yongguang; Wang, Shibo; Huang, Miaoliang; Lan, Zhang

    2017-01-01

    Highlights: •Large grain and mesoporous Zn 2 SnO 4 are synthesized by a facile hydrothermal method. •Perovskite device with Zn 2 SnO 4 electron transport layer get efficiency of 17.21%. •While the device with TiO 2 electron transport layer obtain an efficiency of 14.83%. •Superior photovoltaic performance stems from the intrinsic characteristics of Zn 2 SnO 4 . -- Abstract: Electron transport layer with higher carrier mobility and suitable band gap structure plays a significant role in determining the photovoltaic performance of perovskite solar cells (PSCs). Here, we report a synthesis of high crystalline zinc stannate (Zn 2 SnO 4 ) by a facile hydrothermal method. The as-synthesized Zn 2 SnO 4 possesses particle size of 20 nm, large surface area, mesoporous hierarchical structure, and can be used as a promising electron-transport materials to replace the conventional mesoporous TiO 2 material. A perovskite solar cell with structure of FTO/blocking layer/Zn 2 SnO 4 /CH 3 NH 3 PbI 3 /Spiro-OMeOTAD/Au is fabricated, and the preparation condition is optimized. The champion device based on Zn 2 SnO 4 electron transport material achieves a power conversion efficiency of 17.21%, while the device based on TiO 2 electron transport material gets an efficiency of 14.83% under the same experimental conditions. The results render Zn 2 SnO 4 an effective candidate as electron transport material for high performance perovskite solar cells and other devices.

  7. Monte Carlo Studies of Electron Transport In Semiconductor Nanostructures

    Science.gov (United States)

    Tierney, Brian David

    An Ensemble Monte Carlo (EMC) computer code has been developed to simulate, semi-classically, spin-dependent electron transport in quasi two-dimensional (2D) III-V semiconductors. The code accounts for both three-dimensional (3D) and quasi-2D transport, utilizing either 3D or 2D scattering mechanisms, as appropriate. Phonon, alloy, interface roughness, and impurity scattering mechanisms are included, accounting for the Pauli Exclusion Principle via a rejection algorithm. The 2D carrier states are calculated via a self-consistent 1D Schrodinger-3D-Poisson solution in which the charge distribution of the 2D carriers in the quantization direction is taken as the spatial distribution of the squared envelope functions within the Hartree approximation. The wavefunctions, subband energies, and 2D scattering rates are updated periodically by solving a series of 1D Schrodinger wave equations (SWE) over the real-space domain of the device at fixed time intervals. The electrostatic potential is updated by periodically solving the 3D Poisson equation. Spin-polarized transport is modeled via a spin density-matrix formalism that accounts for D'yakanov-Perel (DP) scattering. Also, the code allows for the easy inclusion of additional scattering mechanisms and structural modifications to devices. As an application of the simulator, the current voltage characteristics of an InGaAs/InAlAs HEMT are simulated, corresponding to nanoscale III-V HEMTs currently being fabricated by Intel Corporation. The comparative effects of various scattering parameters, material properties and structural attributes are investigated and compared with experiments where reasonable agreement is obtained. The spatial evolution of spin-polarized carriers in prototypical Spin Field Effect Transistor (SpinFET) devices is then simulated. Studies of the spin coherence times in quasi-2D structures is first investigated and compared to experimental results. It is found that the simulated spin coherence times for

  8. Effect of room temperature lattice vibration on the electron transport in graphene nanoribbons

    Science.gov (United States)

    Liu, Yue-Yang; Li, Bo-Lin; Chen, Shi-Zhang; Jiang, Xiangwei; Chen, Ke-Qiu

    2017-09-01

    We observe directly the lattice vibration and its multifold effect on electron transport in zigzag graphene nanoribbons in simulation by utilizing an efficient combined method. The results show that the electron transport fluctuates greatly due to the incessant lattice vibration of the nanoribbons. More interestingly, the lattice vibration behaves like a double-edged sword that it boosts the conductance of symmetric zigzag nanoribbons (containing an even number of zigzag chains along the width direction) while weakens the conductance of asymmetric nanoribbons. As a result, the reported large disparity between the conductances of the two kinds of nanoribbons at 0 K is in fact much smaller at room temperature (300 K). We also find that the spin filter effect that exists in perfect two-dimensional symmetric zigzag graphene nanoribbons is destroyed to some extent by lattice vibrations. Since lattice vibrations or phonons are usually inevitable in experiments, the research is very meaningful for revealing the important role of lattice vibrations play in the electron transport properties of two-dimensional materials and guiding the application of ZGNRs in reality.

  9. Path integral approach for electron transport in disturbed magnetic field lines

    Energy Technology Data Exchange (ETDEWEB)

    Kanno, Ryutaro; Nakajima, Noriyoshi; Takamaru, Hisanori

    2002-05-01

    A path integral method is developed to investigate statistical property of an electron transport described as a Langevin equation in a statically disturbed magnetic field line structure; especially a transition probability of electrons strongly tied to field lines is considered. The path integral method has advantages that 1) it does not include intrinsically a growing numerical error of an orbit, which is caused by evolution of the Langevin equation under a finite calculation accuracy in a chaotic field line structure, and 2) it gives a method of understanding the qualitative content of the Langevin equation and assists to expect statistical property of the transport. Monte Carlo calculations of the electron distributions under both effects of chaotic field lines and collisions are demonstrated to comprehend above advantages through some examples. The mathematical techniques are useful to study statistical properties of various phenomena described as Langevin equations in general. By using parallel generators of random numbers, the Monte Carlo scheme to calculate a transition probability can be suitable for a parallel computation. (author)

  10. Adaptive integral equation methods in transport theory

    International Nuclear Information System (INIS)

    Kelley, C.T.

    1992-01-01

    In this paper, an adaptive multilevel algorithm for integral equations is described that has been developed with the Chandrasekhar H equation and its generalizations in mind. The algorithm maintains good performance when the Frechet derivative of the nonlinear map is singular at the solution, as happens in radiative transfer with conservative scattering and in critical neutron transport. Numerical examples that demonstrate the algorithm's effectiveness are presented

  11. Transportation channels calculation method in MATLAB

    International Nuclear Information System (INIS)

    Averyanov, G.P.; Budkin, V.A.; Dmitrieva, V.V.; Osadchuk, I.O.; Bashmakov, Yu.A.

    2014-01-01

    Output devices and charged particles transport channels are necessary components of any modern particle accelerator. They differ both in sizes and in terms of focusing elements depending on particle accelerator type and its destination. A package of transport line designing codes for magnet optical channels in MATLAB environment is presented in this report. Charged particles dynamics in a focusing channel can be studied easily by means of the matrix technique. MATLAB usage is convenient because its information objects are matrixes. MATLAB allows the use the modular principle to build the software package. Program blocks are small in size and easy to use. They can be executed separately or commonly. A set of codes has a user-friendly interface. Transport channel construction consists of focusing lenses (doublets and triplets). The main of the magneto-optical channel parameters are total length and lens position and parameters of the output beam in the phase space (channel acceptance, beam emittance - beam transverse dimensions, particles divergence and image stigmaticity). Choice of the channel operation parameters is based on the conditions for satisfying mutually competing demands. And therefore the channel parameters calculation is carried out by using the search engine optimization techniques.

  12. Electronic device and method of manufacturing an electronic device

    NARCIS (Netherlands)

    2009-01-01

    An electronic device comprising at least one die stack having at least a first die (D1) comprising a first array of light emitting units (OLED) for emitting light, a second layer (D2) comprising a second array of via holes (VH) and a third die (D3) comprising a third array of light detecting units

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

    International Nuclear Information System (INIS)

    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 ampersand 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

  14. Changes in mitochondrial electron transport chain activity during insect metamorphosis.

    Science.gov (United States)

    Chamberlin, M E

    2007-02-01

    The midgut of the tobacco hornworm (Manduca sexta) is a highly aerobic tissue that is destroyed by programmed cell death during larval-pupal metamorphosis. The death of the epithelium begins after commitment to pupation, and the oxygen consumption of isolated midgut mitochondria decreases soon after commitment. To assess the role of the electron transport chain in this decline in mitochondrial function, the maximal activities of complexes I-IV of the respiratory chain were measured in isolated midgut mitochondria. Whereas there were no developmental changes in the activity of complex I or III, activities of complexes II and IV [cytochrome c oxidase (COX)] were higher in mitochondria from precommitment than postcommitment larvae. This finding is consistent with a higher rate of succinate oxidation in mitochondria isolated from precommitment larvae and reveals that the metamorphic decline in mitochondrial respiration is due to the targeted destruction or inactivation of specific sites within the mitochondria, rather than the indiscriminate destruction of the organelles. The COX turnover number (e- x s(-1) x cytochrome aa3(-1)) was greater for the enzyme from precommitment than postcommitment larvae, indicating a change in the enzyme structure and/or its lipid environment during the early stages of metamorphosis. The turnover number of COX in the intact mitochondria (in organello COX) was also lower in postcommitment larvae. In addition to changes in the protein or membrane phospholipids, the metamorphic decline in this rate constant may be a result of the observed loss of endogenous cytochrome c.

  15. 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.

  16. 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.

  17. Global plasma oscillations in electron internal transport barriers in TCV

    Energy Technology Data Exchange (ETDEWEB)

    Udintsev, V S; Sauter, O; Asp, E; Fable, E; Goodman, T P; Turri, G; Graves, J P; Zucca, C [Association Euratom-Confederation Suisse, EPFL/SB/CRPP, Station 13, CH-1015, Lausanne (Switzerland); Scarabosio, A [Max-Planck Institut fuer Plasmaphysik, IPP-EURATOM Association, Garching (Germany); Zhuang, G [Huazhong University of Science and Technology, Wuhan, Hubei (China)

    2008-12-15

    In the Tokamak a Configuration Variable (TCV) (Hofmann F et al1994 Plasma Phys. Control. Fusion 36 B277), global plasma oscillations have been discovered in fully non-inductively driven plasmas featuring electron internal transport barriers (ITB) with strong ECRH/ECCD. These oscillations are linked to the destabilization and stabilization of MHD modes near the foot of the ITB and can lead to large oscillations of the total plasma current and line-averaged density, among others. They are intrinsically related to the fact that ITBs have large pressure gradients in a region of low magnetic shear. Therefore, the ideal MHD limit is relatively low and infernal modes can be unstable. Depending on the proximity to the ideal limit, small crashes or resistive modes can appear which affect the time evolution of the discharge. Being near marginal stability, the modes can self-stabilize due to the modification of the pressure gradient and local q-profile. The plasma recovers good confinement, reverses shear and the ITB builds up, until a new MHD mode is destabilized. TCV results show that this cycling behaviour can be controlled by modifying the current density or the pressure profiles, either with Ohmic current density perturbation or by modifying the ECH/ECCD power. It is demonstrated that many observations such as q {>=} 2 sawteeth, beta collapses, minor disruptions and oscillation regimes in ITBs can be assigned to the same physics origin: the proximity to the infernal mode stability limit.

  18. Global plasma oscillations in electron internal transport barriers in TCV

    Science.gov (United States)

    Udintsev, V. S.; Sauter, O.; Asp, E.; Fable, E.; Goodman, T. P.; Turri, G.; Graves, J. P.; Scarabosio, A.; Zhuang, G.; Zucca, C.; TCV Team

    2008-12-01

    In the Tokamak à Configuration Variable (TCV) (Hofmann F et al1994 Plasma Phys. Control. Fusion 36 B277), global plasma oscillations have been discovered in fully non-inductively driven plasmas featuring electron internal transport barriers (ITB) with strong ECRH/ECCD. These oscillations are linked to the destabilization and stabilization of MHD modes near the foot of the ITB and can lead to large oscillations of the total plasma current and line-averaged density, among others. They are intrinsically related to the fact that ITBs have large pressure gradients in a region of low magnetic shear. Therefore, the ideal MHD limit is relatively low and infernal modes can be unstable. Depending on the proximity to the ideal limit, small crashes or resistive modes can appear which affect the time evolution of the discharge. Being near marginal stability, the modes can self-stabilize due to the modification of the pressure gradient and local q-profile. The plasma recovers good confinement, reverses shear and the ITB builds up, until a new MHD mode is destabilized. TCV results show that this cycling behaviour can be controlled by modifying the current density or the pressure profiles, either with Ohmic current density perturbation or by modifying the ECH/ECCD power. It is demonstrated that many observations such as q >= 2 sawteeth, beta collapses, minor disruptions and oscillation regimes in ITBs can be assigned to the same physics origin: the proximity to the infernal mode stability limit.

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

    International Nuclear Information System (INIS)

    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 ampersand 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. 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.

  1. Hall-Effect Thruster Simulations with 2-D Electron Transport and Hydrodynamic Ions

    Science.gov (United States)

    Mikellides, Ioannis G.; Katz, Ira; Hofer, Richard H.; Goebel, Dan M.

    2009-01-01

    A computational approach that has been used extensively in the last two decades for Hall thruster simulations is to solve a diffusion equation and energy conservation law for the electrons in a direction that is perpendicular to the magnetic field, and use discrete-particle methods for the heavy species. This "hybrid" approach has allowed for the capture of bulk plasma phenomena inside these thrusters within reasonable computational times. Regions of the thruster with complex magnetic field arrangements (such as those near eroded walls and magnets) and/or reduced Hall parameter (such as those near the anode and the cathode plume) challenge the validity of the quasi-one-dimensional assumption for the electrons. This paper reports on the development of a computer code that solves numerically the 2-D axisymmetric vector form of Ohm's law, with no assumptions regarding the rate of electron transport in the parallel and perpendicular directions. The numerical challenges related to the large disparity of the transport coefficients in the two directions are met by solving the equations in a computational mesh that is aligned with the magnetic field. The fully-2D approach allows for a large physical domain that extends more than five times the thruster channel length in the axial direction, and encompasses the cathode boundary. Ions are treated as an isothermal, cold (relative to the electrons) fluid, accounting for charge-exchange and multiple-ionization collisions in the momentum equations. A first series of simulations of two Hall thrusters, namely the BPT-4000 and a 6-kW laboratory thruster, quantifies the significance of ion diffusion in the anode region and the importance of the extended physical domain on studies related to the impact of the transport coefficients on the electron flow field.

  2. Analysis of forecasting methods of cargo flows in International transportation by land transport

    OpenAIRE

    Ponomareva, N.

    2005-01-01

    Advantages and disadvantages of the existing forecasting methods of cargo flows are presented. The improvement of cargo flows forecasting method in international transportation by land transport is considered on the basis of a interregional balance model to get more correct and fuller forecast.

  3. Particle transport methods for LWR dosimetry developed by the Penn State transport theory group

    International Nuclear Information System (INIS)

    Haghighat, A.; Petrovic, B.

    1997-01-01

    This paper reviews advanced particle transport theory methods developed by the Penn State Transport Theory Group (PSTTG) over the past several years. These methods have been developed in response to increasing needs for accuracy of results and for three-dimensional modeling of nuclear systems

  4. Effect of interfaces on electron transport properties of MoS2-Au Contacts

    Science.gov (United States)

    Aminpour, Maral; Hapala, Prokop; Le, Duy; Jelinek, Pavel; Rahman, Talat S.; Rahman's Group Collaboration; Nanosurf Lab Collaboration

    2014-03-01

    Single layer MoS2 is a promising material for future electronic devices such as transistors since it has good transport characteristics with mobility greater than 200 cm-1V-1s-1 and on-off current ratios up to 108. However, before MoS2 can become a mainstream electronic material for the semiconductor industry, the design of low resistive metal-semiconductor junctions as contacts of the electronic devices needs to be addressed and studied systematically. We have examined the effect of Au contacts on the electronic transport properties of single layer MoS2 using density functional theory in combination with the non-equilibrium Green's function method. The Schottky barrier between Au contact and MoS2, transmission spectra, and I-V curves will be reported and discussed as a function of MoS2 and Au interfaces of varying geometry. This work is supported in part by the US Department of Energy under grant DE-FG02-07ER15842.

  5. Finite element method for solving neutron transport problems

    International Nuclear Information System (INIS)

    Ferguson, J.M.; Greenbaum, A.

    1984-01-01

    A finite element method is introduced for solving the neutron transport equations. Our method falls into the category of Petrov-Galerkin solution, since the trial space differs from the test space. The close relationship between this method and the discrete ordinate method is discussed, and the methods are compared for simple test problems

  6. ITS, TIGER System of Coupled Electron Photon Transport by Monte-Carlo

    International Nuclear Information System (INIS)

    Halbleib, J.A.; Mehlhorn, T.A.; Young, M.F.

    1996-01-01

    1 - Description of program or function: ITS permits a state-of-the-art Monte Carlo solution of linear time-integrated coupled electron/ photon radiation transport problems with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. 2 - Method of solution: Through a machine-portable utility that emulates the basic features of the CDC UPDATE processor, the user selects one of eight codes for running on a machine of one of four (at least) major vendors. With the ITS-3.0 release the PSR-0245/UPEML package is included to perform these functions. The ease with which this utility is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is maximized by employing the best available cross sections and sampling distributions, and the most complete physical model for describing the production and transport of the electron/ photon cascade from 1.0 GeV down to 1.0 keV. Flexibility of construction permits the codes to be tailored to specific applications and the capabilities of the codes to be extended to more complex applications through update procedures. 3 - Restrictions on the complexity of the problem: - Restrictions and/or limitations for ITS depend upon the local operating system

  7. [SciELO: method for electronic publishing].

    Science.gov (United States)

    Laerte Packer, A; Rocha Biojone, M; Antonio, I; Mayumi Takemaka, R; Pedroso García, A; Costa da Silva, A; Toshiyuki Murasaki, R; Mylek, C; Carvalho Reisl, O; Rocha F Delbucio, H C

    2001-01-01

    It describes the SciELO Methodology Scientific Electronic Library Online for electronic publishing of scientific periodicals, examining issues such as the transition from traditional printed publication to electronic publishing, the scientific communication process, the principles which founded the methodology development, its application in the building of the SciELO site, its modules and components, the tools use for its construction etc. The article also discusses the potentialities and trends for the area in Brazil and Latin America, pointing out questions and proposals which should be investigated and solved by the methodology. It concludes that the SciELO Methodology is an efficient, flexible and wide solution for the scientific electronic publishing.

  8. Photoconductivity relaxation and electron transport in macroporous silicon structures

    Directory of Open Access Journals (Sweden)

    L.A. Karachevtseva

    2017-12-01

    Full Text Available Kinetics and temperature dependence of photoconductivity were measured in macroporous silicon at 80…300 K after light illumination with the wavelength 0.9 μm. The influence of mechanisms of the charge carrier transport through the macropore surface barrier on the kinetics of photoconductivity at various temperatures was investigated. The kinetics of photoconductivity distribution in macroporous silicon and Si substrate has been calculated using the finite-difference time-domain method. The maximum of photoconductivity has been found both in the layer of macroporous silicon and in the monocrystalline substrate. The kinetics of photoconductivity distribution in macroporous silicon showed rapid relaxation of the photoconductivity maximum in the layer of macroporous silicon and slow relaxation of it in the monocrystalline substrate.

  9. Statistics of Monte Carlo methods used in radiation transport calculation

    International Nuclear Information System (INIS)

    Datta, D.

    2009-01-01

    Radiation transport calculation can be carried out by using either deterministic or statistical methods. Radiation transport calculation based on statistical methods is basic theme of the Monte Carlo methods. The aim of this lecture is to describe the fundamental statistics required to build the foundations of Monte Carlo technique for radiation transport calculation. Lecture note is organized in the following way. Section (1) will describe the introduction of Basic Monte Carlo and its classification towards the respective field. Section (2) will describe the random sampling methods, a key component of Monte Carlo radiation transport calculation, Section (3) will provide the statistical uncertainty of Monte Carlo estimates, Section (4) will describe in brief the importance of variance reduction techniques while sampling particles such as photon, or neutron in the process of radiation transport

  10. The synthesis method for design of electron flow sources

    Science.gov (United States)

    Alexahin, Yu I.; Molodozhenzev, A. Yu

    1997-01-01

    The synthesis method to design a relativistic magnetically - focused beam source is described in this paper. It allows to find a shape of electrodes necessary to produce laminar space charge flows. Electron guns with shielded cathodes designed with this method were analyzed using the EGUN code. The obtained results have shown the coincidence of the synthesis and analysis calculations [1]. This method of electron gun calculation may be applied for immersed electron flows - of interest for the EBIS electron gun design.

  11. GREY STATISTICS METHOD OF TECHNOLOGY SELECTION FOR ADVANCED PUBLIC TRANSPORTATION SYSTEMS

    Directory of Open Access Journals (Sweden)

    Chien Hung WEI

    2003-01-01

    Full Text Available Taiwan is involved in intelligent transportation systems planning, and is now selecting its prior focus areas for investment and development. The high social and economic impact associated with which intelligent transportation systems technology are chosen explains the efforts of various electronics and transportation corporations for developing intelligent transportation systems technology to expand their business opportunities. However, there has been no detailed research conducted with regard to selecting technology for advanced public transportation systems in Taiwan. Thus, the present paper demonstrates a grey statistics method integrated with a scenario method for solving the problem of selecting advanced public transportation systems technology for Taiwan. A comprehensive questionnaire survey was conducted to demonstrate the effectiveness of the grey statistics method. The proposed approach indicated that contactless smart card technology is the appropriate technology for Taiwan to develop in the near future. The significance of our research results implies that the grey statistics method is an effective method for selecting advanced public transportation systems technologies. We feel our information will be beneficial to the private sector for developing an appropriate intelligent transportation systems technology strategy.

  12. 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…

  13. In silico analysis of the regulation of the photosynthetic electron transport chain in C3 plants

    NARCIS (Netherlands)

    Morales Sierra, A.; Yin, Xinyou; Harbinson, Jeremy; Driever, Steven Michiel; Molenaar, Jaap; Kramer, David M.; Struik, Paul

    2018-01-01

    We present a new simulation model of the reactions in the photosynthetic electron transport chain of C3 species. We show that including recent insights about the regulation of the thylakoid proton motive force, ATP/NADPH balancing mechanisms (cyclic and non-cyclic alternative electron transport),

  14. Impact of radial transport on the quasilinear plateau formation due to electron cyclotron wave absorption

    NARCIS (Netherlands)

    Peeters, A.G.; Westerhof, E.

    1996-01-01

    Numerical simulations using a three-dimensional Fokker-Planck code show that for small tokamaks the transport of electrons across the magnetic surfaces at a level consistent with anomalous transport has a large influence on the formation of the quasilinear plateau during electron cyclotron resonant

  15. Power Electronics and Thermal Management | Transportation Research | NREL

    Science.gov (United States)

    Power Electronics and Thermal Management Power Electronics and Thermal Management This is the March Gearhart's testimony. Optical Thermal Characterization Enables High-Performance Electronics Applications New vehicle electronics systems are being developed at a rapid pace, and NREL is examining strategies to

  16. Power Electronics and Electric Machines | Transportation Research | NREL

    Science.gov (United States)

    Power Electronics and Electric Machines NREL's power electronics and electric machines research helping boost the performance of power electronics components and systems, while driving down size, weight technical barriers to EDV commercialization. EDVs rely heavily on power electronics to distribute the proper

  17. 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.

  18. 41 CFR 102-118.65 - Can my agency receive electronic billing for payment of transportation services?

    Science.gov (United States)

    2010-07-01

    ... electronic billing for payment of transportation services? 102-118.65 Section 102-118.65 Public Contracts and... Transportation Services § 102-118.65 Can my agency receive electronic billing for payment of transportation... to use electronic billing for the procurement and billing of transportation services. ...

  19. Physics of electron internal transport barrier in toroidal helical plasmas

    International Nuclear Information System (INIS)

    Itoh, K.; Toda, S.; Fujisawa, A.; Ida, K.; Itoh, S.-I.; Yagi, M.; Fukuyama, A.; Diamond, P.H.

    2006-10-01

    The role of zonal flows in the formation of the transport barrier in the helical plasmas is analyzed using the transport code. A set of one-dimensional transport equations is analyzed, including the effect of zonal flows. The turbulent transport coefficient is shown to be suppressed when the plasma state changes from the weak negative radial electric field to the strong positive one. This bifurcation of the turbulent transport is newly caused by the change of the damping rate of zonal flows. It is theoretically demonstrated that the damping rate of zonal flows governs the global confinement in toroidal plasmas. (author)

  20. Insights into the post-transcriptional regulation of the mitochondrial electron transport chain.

    Science.gov (United States)

    Sirey, Tamara M; Ponting, Chris P

    2016-10-15

    The regulation of the mitochondrial electron transport chain is central to the control of cellular homeostasis. There are significant gaps in our understanding of how the expression of the mitochondrial and nuclear genome-encoded components of the electron transport chain are co-ordinated, and how the assembly of the protein complexes that constitute the electron transport chain are regulated. Furthermore, the role post-transcriptional gene regulation may play in modulating these processes needs to be clarified. This review summarizes the current knowledge regarding the post-transcriptional gene regulation of the electron transport chain and highlights how noncoding RNAs may contribute significantly both to complex electron transport chain regulatory networks and to mitochondrial dysfunction. © 2016 The Author(s).

  1. Energy-pointwise discrete ordinates transport methods

    International Nuclear Information System (INIS)

    Williams, M.L.; Asgari, M.; Tashakorri, R.

    1997-01-01

    A very brief description is given of a one-dimensional code, CENTRM, which computes a detailed, space-dependent flux spectrum in a pointwise-energy representation within the resolved resonance range. The code will become a component in the SCALE system to improve computation of self-shielded cross sections, thereby enhancing the accuracy of codes such as KENO. CENTRM uses discrete-ordinates transport theory with an arbitrary angular quadrature order and a Legendre expansion of scattering anisotropy for moderator materials and heavy nuclides. The CENTRM program provides capability to deterministically compute full energy range, space-dependent angular flux spectra, rigorously accounting for resonance fine-structure and scattering anisotropy effects

  2. 14 CFR 1260.69 - Electronic funds transfer payment methods.

    Science.gov (United States)

    2010-01-01

    ... Government by electronic funds transfer through the Treasury Fedline Payment System (FEDLINE) or the... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Electronic funds transfer payment methods... COOPERATIVE AGREEMENTS General Special Conditions § 1260.69 Electronic funds transfer payment methods...

  3. Monte Carlo study of electron-plasmon scattering effects on hot electron transport in GaAs

    International Nuclear Information System (INIS)

    Popov, V.V.; Bagaeva, T.Yu.; Solodkaya, T.I.

    1994-07-01

    It is shown using Monte Carlo simulation that electron-plasmon scattering affects substantially the hot-electron energy distribution function and transport properties in bulk GaAs. However, this effect is found to be much less than that predicted in earlier paper of other authors. (author). 5 refs, 7 figs

  4. Suprathermal-electron generation, transport, and deposition in CO2-laser-irradiated targets

    International Nuclear Information System (INIS)

    Hauer, A.; Goldman, R.; Kristal, R.

    1982-01-01

    Experiments on both axial and lateral energy transport and deposition in spherical targets are described. A variety of diagnostics have been used to measure hot-electron transport and deposition including bremsstrahlung and inner-shell radiation and soft x-ray temperature measurements. Self-generated electric and magnetic fields play an important role in the transport and deposition of the hot electrons. In some cases distinct patterns of surface deposition consistent with magnetic-field configurations have been observed

  5. A finite element method for neutron transport

    International Nuclear Information System (INIS)

    Ackroyd, R.T.

    1983-01-01

    A completely boundary-free maximum principle for the first-order Boltzmann equation is derived from the completely boundary-free maximum principle for the mixed-parity Boltzmann equation. When continuity is imposed on the trial function for directions crossing interfaces the completely boundary-free principle for the first-order Boltzmann equation reduces to a maximum principle previously established directly from first principles and indirectly by the Euler-Lagrange method. Present finite element methods for the first-order Boltzmann equation are based on a weighted-residual method which permits the use of discontinuous trial functions. The new principle for the first-order equation can be used as a basis for finite-element methods with the same freedom from boundary conditions as those based on the weighted-residual method. The extremum principle as the parent of the variationally-derived weighted-residual equations ensures their good behaviour. (author)

  6. Electrons in a positive-ion beam with solenoid or quadrupole magnetic transport

    International Nuclear Information System (INIS)

    Molvik, A.W.; Kireeff Covo, M.; Cohen, R.; Coleman, J.; Sharp, W.; Bieniosek, F.; Friedman, A.; Roy, P.K.; Seidl, P.; Lund, S.M.; Faltens, A.; Vay, J.L.; Prost, L.

    2007-01-01

    The High Current Experiment (HCX) is used to study beam transport and accumulation of electrons in quadrupole magnets and the Neutralized Drift-Compression Experiment (NDCX) to study beam transport through and accumulation of electrons in magnetic solenoids. We find that both clearing and suppressor electrodes perform as intended, enabling electron cloud densities to be minimized. Then, the measured beam envelopes in both quadrupoles and solenoids agree with simulations, indicating that theoretical beam current transport limits are reliable, in the absence of electrons. At the other extreme, reversing electrode biases with the solenoid transport effectively traps electrons; or, in quadrupole magnets, grounding the suppressor electrode allows electron emission from the end wall to flood the beam, in both cases producing significant degradation in the beam

  7. A Krylov Subspace Method for Unstructured Mesh SN Transport Computation

    International Nuclear Information System (INIS)

    Yoo, Han Jong; Cho, Nam Zin; Kim, Jong Woon; Hong, Ser Gi; Lee, Young Ouk

    2010-01-01

    Hong, et al., have developed a computer code MUST (Multi-group Unstructured geometry S N Transport) for the neutral particle transport calculations in three-dimensional unstructured geometry. In this code, the discrete ordinates transport equation is solved by using the discontinuous finite element method (DFEM) or the subcell balance methods with linear discontinuous expansion. In this paper, the conventional source iteration in the MUST code is replaced by the Krylov subspace method to reduce computing time and the numerical test results are given

  8. Numerical Solution of the Electron Transport Equation in the Upper Atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Woods, Mark Christopher [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Holmes, Mark [Rensselaer Polytechnic Inst., Troy, NY (United States); Sailor, William C [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-07-01

    A new approach for solving the electron transport equation in the upper atmosphere is derived. The problem is a very stiff boundary value problem, and to obtain an accurate numerical solution, matrix factorizations are used to decouple the fast and slow modes. A stable finite difference method is applied to each mode. This solver is applied to a simplifieed problem for which an exact solution exists using various versions of the boundary conditions that might arise in a natural auroral display. The numerical and exact solutions are found to agree with each other to at least two significant digits.

  9. 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

  10. Behavior of electron and ion transport in discharges with an internal transport barrier in the DIII-D tokamak

    International Nuclear Information System (INIS)

    Greenfield, C.M.; Staebler, G.M.; Rettig, C.L.

    1999-01-01

    We report results of experiments to further determine the underlying physics behind the formation and development of internal transport barriers (ITB) in the DIII-D tokamak. The initial ITB formation occurs when the neutral beam heating power exceeds a threshold value during the early stages of the current ramp in low-density discharges. This region of reduced transport, made accessible by suppression of long-wavelength turbulence by sheared flows, is most evident in the ion temperature and impurity rotation profiles. In some cases, reduced transport is also observed in the electron temperature and density profiles. If the power is near the threshold, the barrier remains stationary and encloses only a small fraction of the plasma volume. If, however, the power is increased, the transport barrier expands to encompass a larger fraction of the plasma volume. The dynamic behavior of the transport barrier during the growth phase exhibits rapid transport events that are associated with both broadening of the profiles and reductions in turbulence and associated transport. In some, but not all, cases, these events are correlated with the safety factor q passing through integer values. The final state following this evolution is a plasma exhibiting ion thermal transport at or below neoclassical levels. Typically, the electron thermal transport remains anomalously high. Recent experimental results are reported in which rf electron heating was applied to plasmas with an ion ITB, thereby increasing both the electron and ion transport. Although the results are partially in agreement with the usual E-vector x B-vector shear suppression hypothesis, the results still leave questions that must be addressed in future experiments. (author)

  11. Behavior of electron and ion transport in discharges with an internal transport barrier in the DIII-D tokamak

    International Nuclear Information System (INIS)

    Greenfield, C.M.; Staebler, G.M.; Rettig, C.L.

    1998-12-01

    The authors report results of experiments to further determine the underlying physics behind the formation and development of internal transport barriers (ITB) in the DIII-D tokamak. The initial ITB formation occurs when the neutral beam heating power exceeds a threshold value during the early stages of the current ramp in low-density discharges. This region of reduced transport, made accessible by suppression of long-wavelength turbulence by sheared flows, is most evident in the ion temperature and impurity rotation profiles. In some cases, reduced transport is also observed in the electron temperature and density profiles. If the power is near the threshold, the barrier remains stationary and enclosed only a small fraction of the plasma volume. If, however, the power is increased, the transport barrier expands to encompass a larger fraction of the plasma volume. The dynamic behavior of the transport barrier during the growth phase exhibits rapid transport events that are associated with both broadening of the profiles and reductions in turbulence and associated transport. In some, but not all, cases, these events are correlated with the safety factor q passing through integer values. The final state following this evolution is a plasma exhibiting ion thermal transport at or below neoclassical levels. Typically, the electron thermal transport remains anomalously high. Recent experimental results are reported in which rf electron heating was applied to plasmas with an ion ITB, thereby increasing both the electron and ion transport. Although the results are partially in agreement with the usual rvec E x rvec B shear suppression hypothesis, the results still leave questions that must be addressed in future experiments

  12. Method for surface treatment by electron beams

    International Nuclear Information System (INIS)

    Panzer, S.; Doehler, H.; Bartel, R.; Ardenne, T. von.

    1985-01-01

    The invention has been aimed at simplifying the technology and saving energy in modifying surfaces with the aid of electron beams. The described beam-object geometry allows to abandon additional heat treatments. It can be used for surface hardening

  13. Reduction of mitochondrial electron transport complex activity is restricted to the ischemic focus after transient focal cerebral ischemia in rats

    DEFF Research Database (Denmark)

    Christensen, Thomas; Diemer, Nils Henrik

    2003-01-01

    Using histochemical methods offering high topographical resolution for evaluation of changes in the ischemic focus and the penumbra, the mitochondrial electron transport chain (ETC) complexes I, II, and IV were examined in rats subjected to 2 h of proximal occlusion of the middle cerebral artery...

  14. Solution of the transport problem for electrons generated by an accelerator in the three-dimensional space of an absorber

    International Nuclear Information System (INIS)

    Vinogradov, V.V.

    1981-01-01

    The purpose of the investigation is the development of the method for calculation of distribution function of particles in the medium irradiated by electron beams. The process of particle transport was considered for infinite isotropic medium under the condition that all the particles, are concentrated in the source at first. The obtained solution can be used for investigation of particle transport through the substance with account of geometry of electron beam, particle distribution by the beam cross section, energy and angular spectra. The suggested approach can be applied for the solution of transport problems in which geometry of irradiated surface, presence of the field in the absorber should be taken into account that is significant when using electron accelerators in applied purposes [ru

  15. Local transport method for hybrid diffusion-transport calculations in 2-D cylindrical (R, THETA) geometry

    International Nuclear Information System (INIS)

    Zhang, Dingkang; Rahnema, Farzad; Ougouag, Abderrfi M.

    2011-01-01

    A response-based local transport method has been developed in 2-D (r, θ) geometry for coupling to any coarse-mesh (nodal) diffusion method/code. Monte Carlo method is first used to generate a (pre-computed) the response function library for each unique coarse mesh in the transport domain (e.g., the outer reflector region of the Pebble Bed Reactor). The scalar flux and net current at the diffusion/transport interface provided by the diffusion method are used as an incoming surface source to the transport domain. A deterministic iterative sweeping method together with the response function library is utilized to compute the local transport solution within all transport coarse meshes. After the partial angular currents crossing the coarse mesh surfaces are converged, albedo coefficients are computed as boundary conditions for the diffusion methods. The iteration on the albedo boundary condition (for the diffusion method via transport) and the incoming angular flux boundary condition (for the transport via diffusion) is continued until convergence is achieved. The method was tested for in a simplified 2-D (r, θ) pebble bed reactor problem consisting of an inner reflector, an annular fuel region and a controlled outer reflector. The comparisons have shown that the results of the response-function-based transport method agree very well with a direct MCNP whole core solution. The agreement in coarse mesh averaged flux was found to be excellent: relative difference of about 0.18% and a maximum difference of about 0.55%. Note that the MCNP uncertainty was less than 0.1%. (author)

  16. Electron and Hole Transport Layers: Their Use in Inverted Bulk Heterojunction Polymer Solar Cells

    Directory of Open Access Journals (Sweden)

    Sandro Lattante

    2014-03-01

    Full Text Available Bulk heterojunction polymer solar cells (BHJ PSCs are very promising organic-based devices for low-cost solar energy conversion, compatible with roll-to-roll or general printing methods for mass production. Nevertheless, to date, many issues should still be addressed, one of these being the poor stability in ambient conditions. One elegant way to overcome such an issue is the so-called “inverted” BHJ PSC, a device geometry in which the charge collection is reverted in comparison with the standard geometry device, i.e., the electrons are collected by the bottom electrode and the holes by the top electrode (in contact with air. This reverted geometry allows one to use a high work function top metal electrode, like silver or gold (thus avoiding its fast oxidation and degradation, and eliminates the need of a polymeric hole transport layer, typically of an acidic nature, on top of the transparent metal oxide bottom electrode. Moreover, this geometry is fully compatible with standard roll-to-roll manufacturing in air and is less demanding for a good post-production encapsulation process. To date, the external power conversion efficiencies of the inverted devices are generally comparable to their standard analogues, once both the electron transport layer and the hole transport layer are fully optimized for the particular device. Here, the most recent results on this particular optimization process will be reviewed, and a general outlook regarding the inverted BHJ PSC will be depicted.

  17. Modeling the Charge Transport in Graphene Nano Ribbon Interfaces for Nano Scale Electronic Devices

    Science.gov (United States)

    Kumar, Ravinder; Engles, Derick

    2015-05-01

    In this research work we have modeled, simulated and compared the electronic charge transport for Metal-Semiconductor-Metal interfaces of Graphene Nano Ribbons (GNR) with different geometries using First-Principle calculations and Non-Equilibrium Green's Function (NEGF) method. We modeled junctions of Armchair GNR strip sandwiched between two Zigzag strips with (Z-A-Z) and Zigzag GNR strip sandwiched between two Armchair strips with (A-Z-A) using semi-empirical Extended Huckle Theory (EHT) within the framework of Non-Equilibrium Green Function (NEGF). I-V characteristics of the interfaces were visualized for various transport parameters. The distinct changes in conductance and I-V curves reported as the Width across layers, Channel length (Central part) was varied at different bias voltages from -1V to 1 V with steps of 0.25 V. From the simulated results we observed that the conductance through A-Z-A graphene junction is in the range of 10-13 Siemens whereas the conductance through Z-A-Z graphene junction is in the range of 10-5 Siemens. These suggested conductance controlled mechanisms for the charge transport in the graphene interfaces with different geometries is important for the design of graphene based nano scale electronic devices like Graphene FETs, Sensors.

  18. How to probe transverse magnetic anisotropy of a single-molecule magnet by electronic transport?

    Science.gov (United States)

    Misiorny, M.; Burzuri, E.; Gaudenzi, R.; Park, K.; Leijnse, M.; Wegewijs, M.; Paaske, J.; Cornia, A.; van der Zant, H.

    We propose an approach for in-situ determination of the transverse magnetic anisotropy (TMA) of an individual molecule by electronic transport measurements, see Phys. Rev. B 91, 035442 (2015). We study a Fe4 single-molecule magnet (SMM) captured in a gateable junction, a unique tool for addressing the spin in different redox states of a molecule. We show that, due to mixing of the spin eigenstates of the SMM, the TMA significantly manifests itself in transport. We predict and experimentally observe the pronounced intensity modulation of the Coulomb peak amplitude with the magnetic field in the linear-response transport regime, from which the TMA parameter E can be estimated. Importantly, the method proposed here does not rely on the small induced tunnelling effects and, hence, works well at temperatures and electron tunnel broadenings by far exceeding the tunnel splittings and even E itself. We deduce that the TMA for a single Fe4 molecule captured in a junction is substantially larger than the bulk value. Work supported by the Polish Ministry of Science and Education as `Iuventus Plus' project (IP2014 030973) in years 2015-2016.

  19. ITS Version 6 : the integrated TIGER series of coupled electron/photon Monte Carlo transport codes.

    Energy Technology Data Exchange (ETDEWEB)

    Franke, Brian Claude; Kensek, Ronald Patrick; Laub, Thomas William

    2008-04-01

    ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of lineartime-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the makefile system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 6, the latest version of ITS, contains (1) improvements to the ITS 5.0 codes, and (2) conversion to Fortran 90. The general user friendliness of the software has been enhanced through memory allocation to reduce the need for users to modify and recompile the code.

  20. Energetic Electron Acceleration, Injection, and Transport in Mercury's Magnetosphere

    Science.gov (United States)

    Dewey, R. M.; Slavin, J. A.; Raines, J. M.; Baker, D. N.; Lawrence, D. J.

    2018-05-01

    Electrons are accelerated in Mercury’s magnetotail by dipolarization events, flux ropes, and magnetic reconnection directly. Following energization, these electrons are injected close to Mercury where they drift eastward in Shabansky-like orbits.

  1. Non deterministic methods for charged particle transport

    International Nuclear Information System (INIS)

    Besnard, D.C.; Buresi, E.; Hermeline, F.; Wagon, F.

    1985-04-01

    The coupling of Monte-Carlo methods for solving Fokker Planck equation with ICF inertial confinement fusion codes requires them to be economical and to preserve gross conservation properties. Besides, the presence in FPE Fokker-Planck equation of diffusion terms due to collisions between test particles and the background plasma challenges standard M.C. (Monte-Carlo) techniques if this phenomenon is dominant. We address these problems through the use of a fixed mesh in phase space which allows us to handle highly variable sources, avoiding any Russian Roulette for lowering the size of the sample. Also on this mesh are solved diffusion equations obtained from a splitting of FPE. Any non linear diffusion terms of FPE can be handled in this manner. Another method, also presented here is to use a direct particle method for solving the full FPE

  2. Deterministic methods to solve the integral transport equation in neutronic

    International Nuclear Information System (INIS)

    Warin, X.

    1993-11-01

    We present a synthesis of the methods used to solve the integral transport equation in neutronic. This formulation is above all used to compute solutions in 2D in heterogeneous assemblies. Three kinds of methods are described: - the collision probability method; - the interface current method; - the current coupling collision probability method. These methods don't seem to be the most effective in 3D. (author). 9 figs

  3. Methods, measures and indicators for evaluating benefits of transportation research

    CSIR Research Space (South Africa)

    Du Plessis, Louw

    2016-04-01

    Full Text Available The purpose of this article is to provide updated information by identifying and discussing methods, measures and indicators for evaluating benefits appropriate for transportation-related research facilities/programmes. The information has been...

  4. Transport coefficients in high-temperature ionized air flows with electronic excitation

    Science.gov (United States)

    Istomin, V. A.; Oblapenko, G. P.

    2018-01-01

    Transport coefficients are studied in high-temperature ionized air mixtures using the modified Chapman-Enskog method. The 11-component mixture N2/N2+/N /N+/O2/O2+/O /O+/N O /N O+/e- , taking into account the rotational and vibrational degrees of freedom of molecules and electronic degrees of freedom of both atomic and molecular species, is considered. Using the PAINeT software package, developed by the authors of the paper, in wide temperature range calculations of the thermal conductivity, thermal diffusion, diffusion, and shear viscosity coefficients for an equilibrium ionized air mixture and non-equilibrium flow conditions for mixture compositions, characteristic of those in shock tube experiments and re-entry conditions, are performed. For the equilibrium air case, the computed transport coefficients are compared to those obtained using simplified kinetic theory algorithms. It is shown that neglecting electronic excitation leads to a significant underestimation of the thermal conductivity coefficient at temperatures higher than 25 000 K. For non-equilibrium test cases, it is shown that the thermal diffusion coefficients of neutral species and the self-diffusion coefficients of all species are strongly affected by the mixture composition, while the thermal conductivity coefficient is most strongly influenced by the degree of ionization of the flow. Neglecting electronic excitation causes noticeable underestimation of the thermal conductivity coefficient at temperatures higher than 20 000 K.

  5. Electronic structure and molecular orbital study of hole-transport material triphenylamine derivatives

    International Nuclear Information System (INIS)

    Wang, B.-C.; Liao, H.-R.; Chang, J.-C.; Chen Likey; Yeh, J.-T.

    2007-01-01

    Recently, triphenylamine (TPA), 4,4'-bis(phenyl-m-tolylamino)biphenyl (TPD), 4,4'-bis(1-naphthylphenylamino)biphenyl (NPB) and their derivatives are widely used in the organic light-emitting diode (OLED) devices as a hole-transporting material (HTM) layer. We have optimized twenty different structures of HTM materials by using density functional theory (DFT), B3LYP/6-31G method. All these different structures contain mono-amine and diamine TPA derivatives. The energies of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) along with molecular orbitals for these HTMs are also determined. We have found that the central amine nitrogen atom and the phenyl ring, which is next to the central amine nitrogen atom, show significant contribution to the HOMO and LUMO, respectively. The sum of the calculated bond angles (α+β+γ) of the central amine nitrogen atom has been applied to describe the bonding and the energy difference for HOMO and LUMO in these TPA derivatives. Electronic structure calculations have been performed for these TPA derivatives. Again, the LCAO-MO patterns of HOMO and LUMO levels of these derivatives are used to investigate their electron density. A series of electron-transporting steps are predicted for these compounds employing these calculated results

  6. Nonadiabaticity and single-electron transport driven by surface acoustic waves

    DEFF Research Database (Denmark)

    Flensberg, Karsten; Niu, Q.; Pustilnik, M.

    1999-01-01

    Single-electron transport driven by surface acoustic waves (SAW) through a narrow constriction, formed in a two-dimensional electron gas, is studied theoretically. Due to long-range Coulomb interaction, the tunneling coupling between the electron gas and the moving minimum of the SAW...

  7. Efficient decomposition and linearization methods for the stochastic transportation problem

    International Nuclear Information System (INIS)

    Holmberg, K.

    1993-01-01

    The stochastic transportation problem can be formulated as a convex transportation problem with nonlinear objective function and linear constraints. We compare several different methods based on decomposition techniques and linearization techniques for this problem, trying to find the most efficient method or combination of methods. We discuss and test a separable programming approach, the Frank-Wolfe method with and without modifications, the new technique of mean value cross decomposition and the more well known Lagrangian relaxation with subgradient optimization, as well as combinations of these approaches. Computational tests are presented, indicating that some new combination methods are quite efficient for large scale problems. (authors) (27 refs.)

  8. Kelvin probe microscopy and electronic transport measurements in reduced graphene oxide chemical sensors.

    Science.gov (United States)

    Kehayias, Christopher E; MacNaughton, Samuel; Sonkusale, Sameer; Staii, Cristian

    2013-06-21

    Reduced graphene oxide (RGO) is an electronically hybrid material that displays remarkable chemical sensing properties. Here, we present a quantitative analysis of the chemical gating effects in RGO-based chemical sensors. The gas sensing devices are patterned in a field-effect transistor geometry, by dielectrophoretic assembly of RGO platelets between gold electrodes deposited on SiO2/Si substrates. We show that these sensors display highly selective and reversible responses to the measured analytes, as well as fast response and recovery times (tens of seconds). We use combined electronic transport/Kelvin probe microscopy measurements to quantify the amount of charge transferred to RGO due to chemical doping when the device is exposed to electron-acceptor (acetone) and electron-donor (ammonia) analytes. We demonstrate that this method allows us to obtain high-resolution maps of the surface potential and local charge distribution both before and after chemical doping, to identify local gate-susceptible areas on the RGO surface, and to directly extract the contact resistance between the RGO and the metallic electrodes. The method presented is general, suggesting that these results have important implications for building graphene and other nanomaterial-based chemical sensors.

  9. Kelvin probe microscopy and electronic transport measurements in reduced graphene oxide chemical sensors

    Science.gov (United States)

    Kehayias, Christopher E.; MacNaughton, Samuel; Sonkusale, Sameer; Staii, Cristian

    2013-06-01

    Reduced graphene oxide (RGO) is an electronically hybrid material that displays remarkable chemical sensing properties. Here, we present a quantitative analysis of the chemical gating effects in RGO-based chemical sensors. The gas sensing devices are patterned in a field-effect transistor geometry, by dielectrophoretic assembly of RGO platelets between gold electrodes deposited on SiO2/Si substrates. We show that these sensors display highly selective and reversible responses to the measured analytes, as well as fast response and recovery times (tens of seconds). We use combined electronic transport/Kelvin probe microscopy measurements to quantify the amount of charge transferred to RGO due to chemical doping when the device is exposed to electron-acceptor (acetone) and electron-donor (ammonia) analytes. We demonstrate that this method allows us to obtain high-resolution maps of the surface potential and local charge distribution both before and after chemical doping, to identify local gate-susceptible areas on the RGO surface, and to directly extract the contact resistance between the RGO and the metallic electrodes. The method presented is general, suggesting that these results have important implications for building graphene and other nanomaterial-based chemical sensors.

  10. Polarization of electron-beam irradiated LDPE films: contribution to charge generation and transport

    Science.gov (United States)

    Banda, M. E.; Griseri, V.; Teyssèdre, G.; Le Roy, S.

    2018-04-01

    Electron-beam irradiation is an alternative way to generate charges in insulating materials, at controlled position and quantity, in order to monitor their behaviour in regard to transport phenomena under the space charge induced electric field or external field applied. In this study, low density polyethylene (LDPE) films were irradiated by a 80 keV electron-beam with a flux of 1 nA cm‑2 during 10 min in an irradiation chamber under vacuum conditions, and were then characterized outside the chamber using three experimental methods. The electrical behaviour of the irradiated material was assessed by space charge measurements using the pulsed electro-acoustic (PEA) method under dc stress. The influence of the applied electric field polarity and amplitude has been tested in order to better understand the charge behaviour after electron-beam irradiation. Fourier transform infra-red spectroscopy (FTIR) and photoluminescence (PL) measurements were performed to evaluate the impact of the electron beam irradiation, i.e. deposited charges and energy, on the chemical structure of the irradiated samples. The present results show that the electrical behaviour in LDPE after irradiation is mostly driven by charges, i.e. by physical process functions of the electric field, and that changes in the chemical structure seems to be mild.

  11. Efficient method for transport simulations in quantum cascade lasers

    Directory of Open Access Journals (Sweden)

    Maczka Mariusz

    2017-01-01

    Full Text Available An efficient method for simulating quantum transport in quantum cascade lasers is presented. The calculations are performed within a simple approximation inspired by Büttiker probes and based on a finite model for semiconductor superlattices. The formalism of non-equilibrium Green’s functions is applied to determine the selected transport parameters in a typical structure of a terahertz laser. Results were compared with those obtained for a infinite model as well as other methods described in literature.

  12. Curvature effects on the electronic and transport properties of semiconductor films

    Science.gov (United States)

    Batista, F. F.; Chaves, Andrey; da Costa, D. R.; Farias, G. A.

    2018-05-01

    Within the effective mass approximation, we study the curvature effects on the electronic and transport properties of semiconductor films. We investigate how the geometry-induced potential resulting exclusively from periodic ripples in the film induces electronic confinement and a superlattice band structure. For fixed curvature parameters, such a confinement can be easily tuned by an external electric field, hence features of the superlattice band structure such as its energy gaps and band curvature can be controlled by an external parameter. We also show that, for some values of curvature and electric field, it is possible to obtain massless Dirac bands for a smooth curved structure. Moreover, we use a wave packet propagation method to demonstrate that the ripples are responsible for a significant inter-sub-band transition, specially for moderate values of the ripple height.

  13. Calculation of electrical transport properties and electron entanglement in inhomogeneous quantum wires

    Directory of Open Access Journals (Sweden)

    A A Shokri

    2013-10-01

    Full Text Available In this paper, we have investigated the spin-dependent transport properties and electron entanglement in a mesoscopic system, which consists of two semi-infinite leads (as source and drain separated by a typical quantum wire with a given potential. The properties studied include current-voltage characteristic, electrical conductivity, Fano factor and shot noise, and concurrence. The calculations are based on the transfer matrix method within the effective mass approximation. Using the Landauer formalism and transmission coefficient, the dependence of the considered quantities on type of potential well, length and width of potential well, energy of transmitted electron, temperature and the voltage have been theoretically studied. Also, the effect of the above-mentioned factors has been investigated in the nanostructure. The application of the present results may be useful in designing spintronice devices.

  14. Phase-space description of wave packet approach to electronic transport in nanoscale systems

    International Nuclear Information System (INIS)

    Szydłowski, D; Wołoszyn, M; Spisak, B J

    2013-01-01

    The dynamics of conduction electrons in resonant tunnelling nanosystems is studied within the phase-space approach based on the Wigner distribution function. The time evolution of the distribution function is calculated from the time-dependent quantum kinetic equation for which an effective numerical method is presented. Calculations of the transport properties of a double-barrier resonant tunnelling diode are performed to illustrate the proposed techniques. Additionally, analysis of the transient effects in the nanosystem is carried out and it is shown that for some range of the bias voltage the temporal variations of electronic current can take negative values. The explanation of this effect is based on the analysis of the time changes of the Wigner distribution function. The decay time of the temporal current oscillations in the nanosystem as a function of the bias voltage is determined. (paper)

  15. New methods for trigger electronics development

    Energy Technology Data Exchange (ETDEWEB)

    Cleland, W.E.; Stern, E.G. [Univ. of Pittsburgh, PA (United States)

    1991-12-31

    The large and complex nature of RHIC experiments and the tight time schedule for their construction requires that new techniques for designing the electronics should be employed. This is particularly true of the trigger and data acquisition electronics which has to be ready for turn-on of the experiment. We describe the use of the Workview package from VIEWlogic Inc. for design, simulation, and verification of a flash ADC readout system. We also show how field-programmable gate arrays such as the Xilinx 4000 might be employed to construct or prototype circuits with a large number of gates while preserving flexibility.

  16. Towards a Room-Temperature Spin Quantum Bus in Diamond via Electron Photoionization, Transport, and Capture

    Directory of Open Access Journals (Sweden)

    M. W. Doherty

    2016-11-01

    Full Text Available Diamond is a proven solid-state platform for spin-based quantum technology. The nitrogen-vacancy center in diamond has been used to realize small-scale quantum information processing and quantum sensing under ambient conditions. A major barrier in the development of large-scale quantum information processing in diamond is the connection of nitrogen-vacancy spin registers by a quantum bus at room temperature. Given that diamond is expected to be an ideal spin transport material, the coherent transport of spin directly between the spin registers offers a potential solution. Yet, there has been no demonstration of spin transport in diamond due to difficulties in achieving spin injection and detection via conventional methods. Here, we exploit detailed knowledge of the paramagnetic defects in diamond to identify novel mechanisms to photoionize, transport, and capture spin-polarized electrons in diamond at room temperature. Having identified these mechanisms, we explore how they may be combined to realize an on-chip spin quantum bus.

  17. Short-term regulation and alternative pathways of photosynthetic electron transport in Hibiscus rosa-sinensis leaves.

    Science.gov (United States)

    Trubitsin, Boris V; Vershubskii, Alexey V; Priklonskii, Vladimir I; Tikhonov, Alexander N

    2015-11-01

    In this work, using the EPR and PAM-fluorometry methods, we have studied induction events of photosynthetic electron transport in Hibiscus rosa-sinensis leaves. The methods used are complementary, providing efficient tools for in situ monitoring of P700 redox transients and photochemical activity of photosystem II (PSII). The induction of P700(+) in dark-adapted leaves is characterized by the multiphase kinetics with a lag-phase, which duration elongates with the dark-adaptation time. Analyzing effects of the uncoupler monensin and artificial electron carrier methylviologen (MV) on photooxidation of P700 and slow induction of chlorophyll a fluorescence (SIF), we could ascribe different phases of transient kinetics of electron transport processes in dark-adapted leaves to the following regulatory mechanisms: (i) acceleration of electron transfer on the acceptor side of PSI, (ii) pH-dependent modulation of the intersystem electron flow, and (iii) re-distribution of electron fluxes between alternative (linear, cyclic, and pseudocyclic) pathways. Monensin significantly decreases a level of P700(+) and inhibits SIF. MV, which mediates electron flow from PSI to O2 with consequent formation of H2O2, promotes a rapid photooxidation of P700 without any lag-phase peculiar to untreated leaves. MV-mediated water-water cycle (H2O→PSII→PSI→MV→O2→H2O2→H2O) is accompanied by generation of ascorbate free radicals. This suggests that the ascorbate peroxidase system of defense against reactive oxygen species is active in chloroplasts of H. rosa-sinensis leaves. In DCMU-treated chloroplasts with inhibited PSII, the contribution of cyclic electron flow is insignificant as compared to linear electron flow. For analysis of induction events, we have simulated electron transport processes within the framework of our generalized mathematical model of oxygenic photosynthesis, which takes into account pH-dependent mechanisms of electron transport control and re-distribution of

  18. ProbeZT: Simulation of transport coefficients of molecular electronic junctions under environmental effects using Büttiker's probes

    Science.gov (United States)

    Korol, Roman; Kilgour, Michael; Segal, Dvira

    2018-03-01

    We present our in-house quantum transport package, ProbeZT. This program provides linear response coefficients: electrical and electronic thermal conductances, as well as the thermopower of molecular junctions in which electrons interact with the surrounding thermal environment. Calculations are performed based on the Büttiker probe method, which introduces decoherence, energy exchange and dissipation effects phenomenologically using virtual electrode terminals called probes. The program can realize different types of probes, each introducing various environmental effects, including elastic and inelastic scattering of electrons. The molecular system is described by an arbitrary tight-binding Hamiltonian, allowing the study of different geometries beyond simple one-dimensional wires. Applications of the program to study the thermoelectric performance of molecular junctions are illustrated. The program also has a built-in functionality to simulate electron transport in double-stranded DNA molecules based on a tight-binding (ladder) description of the junction.

  19. Selecting The Best Initial Method For A Transportation Problem ...

    African Journals Online (AJOL)

    This paper is concerned with determining the best initial method for a transportation problem. Seven initial methods are considered and compared. One is a new method that has not been reported in the literature. Comparison is done on the basis of the number of iterations required to reach the final solution if the concerned ...

  20. Prediction of FAD binding sites in electron transport proteins according to efficient radial basis function networks and significant amino acid pairs.

    Science.gov (United States)

    Le, Nguyen-Quoc-Khanh; Ou, Yu-Yen

    2016-07-30

    Cellular respiration is a catabolic pathway for producing adenosine triphosphate (ATP) and is the most efficient process through which cells harvest energy from consumed food. When cells undergo cellular respiration, they require a pathway to keep and transfer electrons (i.e., the electron transport chain). Due to oxidation-reduction reactions, the electron transport chain produces a transmembrane proton electrochemical gradient. In case protons flow back through this membrane, this mechanical energy is converted into chemical energy by ATP synthase. The convert process is involved in producing ATP which provides energy in a lot of cellular processes. In the electron transport chain process, flavin adenine dinucleotide (FAD) is one of the most vital molecules for carrying and transferring electrons. Therefore, predicting FAD binding sites in the electron transport chain is vital for helping biologists understand the electron transport chain process and energy production in cells. We used an independent data set to evaluate the performance of the proposed method, which had an accuracy of 69.84 %. We compared the performance of the proposed method in analyzing two newly discovered electron transport protein sequences with that of the general FAD binding predictor presented by Mishra and Raghava and determined that the accuracy of the proposed method improved by 9-45 % and its Matthew's correlation coefficient was 0.14-0.5. Furthermore, the proposed method enabled reducing the number of false positives significantly and can provide useful information for biologists. We developed a method that is based on PSSM profiles and SAAPs for identifying FAD binding sites in newly discovered electron transport protein sequences. This approach achieved a significant improvement after we added SAAPs to PSSM features to analyze FAD binding proteins in the electron transport chain. The proposed method can serve as an effective tool for predicting FAD binding sites in electron

  1. Stoichiometry of vectorial H+ movements coupled to electron transport and to ATP synthesis in mitochondria

    Science.gov (United States)

    Alexandre, Adolfo; Reynafarje, Baltazar; Lehninger, Albert L.

    1978-01-01

    In order to verify more directly our earlier measurements showing that, on the average, close to four vectorial H+ are rejected per pair of electrons passing each of the three energy-conserving sites of the mitochondrial electron transport chain, direct tests of the H+/2e- ratio for sites 2 and 3 were carried out in the presence of permeant charge-compensating cations. Site 2 was examined by utilizing succinate as electron donor and ferricyanide as electron acceptor from mitochondrial cytochrome c; the directly measured H+/2e- ratio was close to 4. Energy-conserving site 3 was isolated for study with ferrocyanide or ascorbate plus tetramethylphenylenediamine as electron donors to cytochrome c and with oxygen as electron acceptor. The directly measured H+/2e- ratio for site 3 was close to 4. The H+/ATP ratio (number of vectorial H+ ejected per ATP hydrolyzed) was determined with a new method in which the steady-state rates of both H+ ejection and ATP hydrolysis were measured in the presence of K+ + valinomycin. The H+/ATP ratio was found to approach 3.0. A proton cycle for oxidative phosphorylation is proposed, in which four electrochemical H+ equivalents are ejected per pair of electrons passing each energy-conserving site; three of the H+ equivalents pass inward to derive ATP synthesis from ADP and phosphate and the fourth H+ is used to bring about the energy-requiring electrogenic expulsion of ATP4- in exchange for extramitochondrial ADP3-, via the H+/H2PO4- symporter. PMID:31621

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

    International Nuclear Information System (INIS)

    Chen, L.L.; Li, W.L.; Li, M.T.; Chu, B.

    2007-01-01

    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 2 at 8 V. At a luminance of 100 cd/m 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 oc ) of 2.10 V under illumination of 365 nm UV light with 2 mW/cm 2 . And the short-circuit current (I sc ) of 92.5x10 -6 A/cm 2 , fill factor (FF) of 0.30 and power conversion efficiency (η 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

  3. 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.

  4. Electronic transport properties of 4f shell elements of liquid metal using hard sphere Yukawa system

    Science.gov (United States)

    Patel, H. P.; Sonvane, Y. A.; Thakor, P. B.

    2018-04-01

    The electronic transport properties are analyzed for 4f shell elements of liquid metals. To examine the electronic transport properties like electrical resistivity (ρ), thermal conductivity (σ) and thermo electrical power (Q), we used our own parameter free model potential with the Hard Sphere Yukawa (HSY) reference system. The screening effect on aforesaid properties has been examined by using different screening functions like Hartree (H), Taylor (T) and Sarkar (S). The correlations of our resultsand other data with available experimental values are intensely promising. Also, we conclude that our newly constructed parameter free model potential is capable of explaining the above mentioned electronic transport properties.

  5. Dispersive electron transport in tris(8-hydroxyquinoline) aluminum (Alq3) probed by impedance spectroscopy.

    Science.gov (United States)

    Berleb, Stefan; Brütting, Wolfgang

    2002-12-31

    Electron transport in tris(8-hydroxyquinoline) aluminum (Alq3) is investigated by impedance spectroscopy under conditions of space-charge limited conduction (SCLC). Existing SCLC models are extended to include the field dependence of the charge carrier mobility and energetically distributed trap states. The dispersive nature of electron transport is revealed by a frequency-dependent mobility with a dispersion parameter alpha in the range 0.4-0.5, independent of temperature. This indicates that positional rather than energetic disorder is the dominant mechanism for the dispersive transport of electrons in Alq3.

  6. Determination of electron clinical spectra from percentage depth dose (PDD) curves by classical simulated annealing method

    International Nuclear Information System (INIS)

    Visbal, Jorge H. Wilches; Costa, Alessandro M.

    2016-01-01

    Percentage depth dose of electron beams represents an important item of data in radiation therapy treatment since it describes the dosimetric properties of these. Using an accurate transport theory, or the Monte Carlo method, has been shown obvious differences between the dose distribution of electron beams of a clinical accelerator in a water simulator object and the dose distribution of monoenergetic electrons of nominal energy of the clinical accelerator in water. In radiotherapy, the electron spectra should be considered to improve the accuracy of dose calculation since the shape of PDP curve depends of way how radiation particles deposit their energy in patient/phantom, that is, the spectrum. Exist three principal approaches to obtain electron energy spectra from central PDP: Monte Carlo Method, Direct Measurement and Inverse Reconstruction. In this work it will be presented the Simulated Annealing method as a practical, reliable and simple approach of inverse reconstruction as being an optimal alternative to other options. (author)

  7. 14 CFR 1274.931 - Electronic funds transfer payment methods.

    Science.gov (United States)

    2010-01-01

    ... cooperative agreement will be made by the Government by electronic funds transfer through the Treasury Fedline... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Electronic funds transfer payment methods... COOPERATIVE AGREEMENTS WITH COMMERCIAL FIRMS Other Provisions and Special Conditions § 1274.931 Electronic...

  8. Electron transport chains in organohalide-respiring bacteria and bioremediation implications.

    Science.gov (United States)

    Wang, Shanquan; Qiu, Lan; Liu, Xiaowei; Xu, Guofang; Siegert, Michael; Lu, Qihong; Juneau, Philippe; Yu, Ling; Liang, Dawei; He, Zhili; Qiu, Rongliang

    2018-04-06

    In situ remediation employing organohalide-respiring bacteria represents a promising solution for cleanup of persistent organohalide pollutants. The organohalide-respiring bacteria conserve energy by utilizing H 2 or organic compounds as electron donors and organohalides as electron acceptors. Reductive dehalogenase (RDase), a terminal reductase of the electron transport chain in organohalide-respiring bacteria, is the key enzyme that catalyzes halogen removal. Accumulating experimental evidence thus far suggests that there are distinct models for respiratory electron transfer in organohalide-respirers of different lineages, e.g., Dehalococcoides, Dehalobacter, Desulfitobacterium and Sulfurospirillum. In this review, to connect the knowledge in organohalide-respiratory electron transport chains to bioremediation applications, we first comprehensively review molecular components and their organization, together with energetics of the organohalide-respiratory electron transport chains, as well as recent elucidation of intramolecular electron shuttling and halogen elimination mechanisms of RDases. We then highlight the implications of organohalide-respiratory electron transport chains in stimulated bioremediation. In addition, major challenges and further developments toward understanding the organohalide-respiratory electron transport chains and their bioremediation applications are identified and discussed. Copyright © 2018 Elsevier Inc. All rights reserved.

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

    DEFF Research Database (Denmark)

    Schou, Jørgen

    1980-01-01

    a solid is derived. To find the former, existing computations for ion slowing down and experimental and theoretical ones for electron bombardment can be utilized. The energy and angular distribution of the secondary electrons and the secondary electron yield are both expressed as products of the deposited...... in the keV region is largely taken into account. The predicted energy and angular distribution agree with absolute spectra for incident electrons, whereas the agreement with absolute spectra for incident protons is less satisfactory. Extrapolation of the energy distribution down to the vacuum level gives...

  10. Formation conditions for electron internal transport barriers in JT-60U plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Fujita, T [Japan Atomic Energy Research Institute, Naka Fusion Research Establishment, Naka-machi, Naka-gun, Ibaraki 311-0193 (Japan); Fukuda, T [Osaka University, Suita, Osaka 565-0871 (Japan); Sakamoto, Y [Japan Atomic Energy Research Institute, Naka Fusion Research Establishment, Naka-machi, Naka-gun, Ibaraki 311-0193 (Japan); Ide, S [Japan Atomic Energy Research Institute, Naka Fusion Research Establishment, Naka-machi, Naka-gun, Ibaraki 311-0193 (Japan); Suzuki, T [Japan Atomic Energy Research Institute, Naka Fusion Research Establishment, Naka-machi, Naka-gun, Ibaraki 311-0193 (Japan); Takenaga, H [Japan Atomic Energy Research Institute, Naka Fusion Research Establishment, Naka-machi, Naka-gun, Ibaraki 311-0193 (Japan); Ida, K [National Institute for Fusion Science, Toki, Gifu 509-5292 (Japan); Idei, H [Kyushu University, Kasuga, Fukuoka 816-8580 (Japan); Shimozuma, T [National Institute for Fusion Science, Toki, Gifu 509-5292 (Japan); Fujisawa, A [National Institute for Fusion Science, Toki, Gifu 509-5292 (Japan); Ohdachi, S [National Institute for Fusion Science, Toki, Gifu 509-5292 (Japan); Toi, K [National Institute for Fusion Science, Toki, Gifu 509-5292 (Japan)

    2004-05-01

    The formation of electron internal transport barriers (ITBs) was studied using electron cyclotron (EC) heating in JT-60U positive shear (PS) and reversed shear (RS) plasmas with scan of neutral beam (NB) power. With no or low values of NB power and with a small radial electric field (E{sub r}) gradient, a strong, box-type electron ITB was formed in RS plasmas while a peaked profile with no strong electron ITBs was observed in PS plasmas within the available EC power. When the NB power and the E{sub r} gradient were increased, the electron transport in strong electron ITBs with EC heating in RS plasmas was not affected, while electron thermal diffusivity was reduced in conjunction with the reduction of ion thermal diffusivity, and strong electron and ion ITBs were formed in PS plasmas.

  11. Creation and dynamical co-evolution of electron and ion channel transport barriers

    International Nuclear Information System (INIS)

    Newman, D.E.

    2002-01-01

    A wide variety of magnetic confinement devices have found transitions to an enhanced confinement regime. Simple dynamical models have been able to capture much of the dynamics of these barriers however an open question has been the disconnected nature of the electron thermal transport channel sometimes observed in the presence of a standard ('ion channel' barrier. By adding to simple barrier model an evolution equation for electron fluctuations we can investigate the interaction between the formation of the standard ion channel barrier and the somewhat less common electron channel barrier. Barrier formation in the electron channel is even more sensitive to the alignment of the various gradients making up the sheared radial electric field than the ion barrier is. Electron channel heat transport is found to significantly increase after the formation of the ion channel barrier but before the electron channel barrier is formed. This increased transport is important in the barrier evolution. (author)

  12. METHES: A Monte Carlo collision code for the simulation of electron transport in low temperature plasmas

    Science.gov (United States)

    Rabie, M.; Franck, C. M.

    2016-06-01

    We present a freely available MATLAB code for the simulation of electron transport in arbitrary gas mixtures in the presence of uniform electric fields. For steady-state electron transport, the program provides the transport coefficients, reaction rates and the electron energy distribution function. The program uses established Monte Carlo techniques and is compatible with the electron scattering cross section files from the open-access Plasma Data Exchange Project LXCat. The code is written in object-oriented design, allowing the tracing and visualization of the spatiotemporal evolution of electron swarms and the temporal development of the mean energy and the electron number due to attachment and/or ionization processes. We benchmark our code with well-known model gases as well as the real gases argon, N2, O2, CF4, SF6 and mixtures of N2 and O2.

  13. Electronic Transport Parameter of Carbon Nanotube Metal-Semiconductor On-Tube Heterojunction

    Directory of Open Access Journals (Sweden)

    Sukirno

    2009-03-01

    Full Text Available Carbon Nanotubes research is one of the top five hot research topics in physics since 2006 because of its unique properties and functionalities, which leads to wide-range applications. One of the most interesting potential applications is in term of nanoelectronic device. It has been modeled carbon nanotubes heterojunction, which was built from two different carbon nanotubes, that one is metallic and the other one is semiconducting. There are two different carbon nanotubes metal-semiconductor heterojunction. The first one is built from CNT(10,10 as metallic carbon nanotube and CNT (17,0 as semiconductor carbon nanotube. The other one is built from CNT (5,5 as metallic carbon nanotube and CNT (8,0. All of the semiconducting carbon nanotubes are assumed to be a pyridine-like N-doped. Those two heterojunctions are different in term of their structural shape and diameter. It has been calculated their charge distribution and potential profile, which would be useful for the simulation of their electronic transport properties. The calculations are performed by using self-consistent method to solve Non-Homogeneous Poisson’s Equation with aid of Universal Density of States calculation method for Carbon Nanotubes. The calculations are done by varying the doping fraction of the semiconductor carbon nanotubes The electron tunneling transmission coefficient, for low energy region, also has been calculated by using Wentzel-Kramer-Brillouin (WKB approximation. From the calculation results, it is obtained that the charge distribution as well as the potential profile of this device is doping fraction dependent. It is also inferred that the WKB method is fail to be used to calculate whole of the electron tunneling coefficient in this system. It is expected that further calculation for electron tunneling coefficient in higher energy region as well as current-voltage characteristic of this system will become an interesting issue for this carbon nanotube based

  14. Alternating direction transport sweeps for linear discontinuous SN method

    International Nuclear Information System (INIS)

    Yavuz, M.; Aykanat, C.

    1993-01-01

    The performance of Alternating Direction Transport Sweep (ADTS) method is investigated for spatially differenced Linear Discontinuous S N (LD-S N ) problems on a MIMD multicomputer, Intel IPSC/2. The method consists of dividing a transport problem spatially into sub-problems, assigning each sub-problem to a separate processor. Then, the problem is solved by performing transport sweeps iterating on the scattering source and interface fluxes between the sub-problems. In each processor, the order of transport sweeps is scheduled such that a processor completing its computation in a quadrant of a transport sweep is able to use the most recent information (exiting fluxes of neighboring processor) as its incoming fluxes to start the next quadrant calculation. Implementation of this method on the Intel IPSC/2 multicomputer displays significant speedups over the one-processor method. Also, the performance of the method is compared with those reported previously for the Diamond Differenced S N (DD-S N ) method. Our experimental experience illustrates that the parallel performance of both the ADTS LD- and DD-S N methods is the same. (orig.)

  15. Nonequilibrium Green function techniques applied to hot electron quantum transport

    International Nuclear Information System (INIS)

    Jauho, A.P.

    1989-01-01

    During the last few years considerable effort has been devoted to deriving quantum transport equations for semiconductors under extreme conditions (high electric fields, spatial quantization in one or two directions). Here we review the results obtained with nonequilibrium Green function techniques as formulated by Baym and Kadanoff, or by Keldysh. In particular, the following topics will be discussed: (i) Systematic approaches to reduce the transport equation governing the correlation function to a transport equation for the Wigner function; (ii) Approximations reducing the nonmarkovian quantum transport equation to a numerically tractable form, and results for model semiconductors; (iii) Recent progress in extending the formalism to inhomogeneous systems; and (iv) Nonequilibrium screening. In all sections we try to direct the reader's attention to points where the present understanding is (at best) incomplete, and indicate possible lines for future work. (orig.)

  16. 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

  17. Electronic transport in amorphous phase-change materials

    International Nuclear Information System (INIS)

    Luckas, Jennifer Maria

    2012-01-01

    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

  18. Geometric reconstruction methods for electron tomography

    DEFF Research Database (Denmark)

    Alpers, Andreas; Gardner, Richard J.; König, Stefan

    2013-01-01

    Electron tomography is becoming an increasingly important tool in materials science for studying the three-dimensional morphologies and chemical compositions of nanostructures. The image quality obtained by many current algorithms is seriously affected by the problems of missing wedge artefacts...... and discuss several algorithms from the mathematical fields of geometric and discrete tomography. The algorithms incorporate geometric prior knowledge (mainly convexity and homogeneity), which also in principle considerably reduces the number of tilt angles required. Results are discussed...

  19. Coupling effect on the electronic transport through dimolecular junctions

    International Nuclear Information System (INIS)

    Long, Meng-Qiu; Wang, Lingling; Chen, Ke-Qiu; Li, Xiao-Fei; Zou, B.S.; Shuai, Z.

    2007-01-01

    Using nonequilibrium Green's function and first-principle calculations, we investigate the transport behaviors of a dimolecule device with two 1,4-Dithiolbenzenes (DTB) sandwiched between two gold electrodes. The results show that the intermolecular coupling effect plays an important role in the conducting behavior of the system. By changing the dihedral angles between the two DTB molecules, namely changing the magnitude of the intermolecular interaction, a different transport behavior can be observed in the system

  20. ITS - The integrated TIGER series of coupled electron/photon Monte Carlo transport codes

    International Nuclear Information System (INIS)

    Halbleib, J.A.; Mehlhorn, T.A.

    1985-01-01

    The TIGER series of time-independent coupled electron/photon Monte Carlo transport codes is a group of multimaterial, multidimensional codes designed to provide a state-of-the-art description of the production and transport of the electron/photon cascade. The codes follow both electrons and photons from 1.0 GeV down to 1.0 keV, and the user has the option of combining the collisional transport with transport in macroscopic electric and magnetic fields of arbitrary spatial dependence. Source particles can be either electrons or photons. The most important output data are (a) charge and energy deposition profiles, (b) integral and differential escape coefficients for both electrons and photons, (c) differential electron and photon flux, and (d) pulse-height distributions for selected regions of the problem geometry. The base codes of the series differ from one another primarily in their dimensionality and geometric modeling. They include (a) a one-dimensional multilayer code, (b) a code that describes the transport in two-dimensional axisymmetric cylindrical material geometries with a fully three-dimensional description of particle trajectories, and (c) a general three-dimensional transport code which employs a combinatorial geometry scheme. These base codes were designed primarily for describing radiation transport for those situations in which the detailed atomic structure of the transport medium is not important. For some applications, it is desirable to have a more detailed model of the low energy transport. The system includes three additional codes that contain a more elaborate ionization/relaxation model than the base codes. Finally, the system includes two codes that combine the collisional transport of the multidimensional base codes with transport in macroscopic electric and magnetic fields of arbitrary spatial dependence