WorldWideScience

Sample records for solute transport electronic

  1. 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

  2. Direct interaction between linear electron transfer chains and solute transport systems in bacteria

    NARCIS (Netherlands)

    Elferink, Marieke G.L.; Hellingwerf, Klaas J.; Belkum, Marco J. van; Poolman, Bert; Konings, Wil N.

    1984-01-01

    In studies on alanine and lactose transport in Rhodopseudomonas sphaeroides we have demonstrated that the rate of solute uptake in this phototrophic bacterium is regulated by the rate of light-induced cyclic electron transfer. In the present paper the interaction between linear electron transfer

  3. 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.

  4. 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.

  5. Finite-bias electronic transport of molecules in a water solution

    KAUST Repository

    Rungger, Ivan; Chen, X.; Sanvito, Stefano; Schwingenschlö gl, Udo

    2010-01-01

    The effects of water wetting conditions on the transport properties of molecular nanojunctions are investigated theoretically by using a combination of empirical-potential molecular-dynamics and first-principles electronic-transport calculations. These are at the level of the nonequilibrium Green’s-function method implemented for self-interaction corrected density-functional theory. We find that water effectively produces electrostatic gating to the molecular junction with a gating potential determined by the time-averaged water dipole field. Such a field is large for the polar benzene-dithiol molecule, resulting in a transmission spectrum shifted by about 0.6 eV with respect to that of the dry junction. The situation is drastically different for carbon nanotubes (CNTs). In fact, because of their hydrophobic nature the gating is almost negligible so that the average transmission spectrum of wet Au/CNT/Au junctions is essentially the same as that in dry conditions. This suggests that CNTs can be used as molecular interconnects also in water-wet situations, for instance, as tips for scanning tunnel microscopy in solution or in biological sensors.

  6. Finite-bias electronic transport of molecules in a water solution

    KAUST Repository

    Rungger, Ivan

    2010-06-04

    The effects of water wetting conditions on the transport properties of molecular nanojunctions are investigated theoretically by using a combination of empirical-potential molecular-dynamics and first-principles electronic-transport calculations. These are at the level of the nonequilibrium Green’s-function method implemented for self-interaction corrected density-functional theory. We find that water effectively produces electrostatic gating to the molecular junction with a gating potential determined by the time-averaged water dipole field. Such a field is large for the polar benzene-dithiol molecule, resulting in a transmission spectrum shifted by about 0.6 eV with respect to that of the dry junction. The situation is drastically different for carbon nanotubes (CNTs). In fact, because of their hydrophobic nature the gating is almost negligible so that the average transmission spectrum of wet Au/CNT/Au junctions is essentially the same as that in dry conditions. This suggests that CNTs can be used as molecular interconnects also in water-wet situations, for instance, as tips for scanning tunnel microscopy in solution or in biological sensors.

  7. 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

  8. 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...

  9. Simple solution-processed titanium oxide electron transport layer for efficient inverted polymer solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Liang [CAS Key Laboratory of Bio-based Materials, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Shen, Wenfei [CAS Key Laboratory of Bio-based Materials, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Institute of Hybrid Materials, Laboratory of New Fiber Materials and Modern Textile—The Growing Base for State Key Laboratory, Qingdao University, Qingdao 266071 (China); Chen, Weichao [CAS Key Laboratory of Bio-based Materials, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Bao, Xichang, E-mail: baoxc@qibebt.ac.cn [CAS Key Laboratory of Bio-based Materials, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Wang, Ning; Dou, Xiaowei; Han, Liangliang; Wen, Shuguang [CAS Key Laboratory of Bio-based Materials, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China)

    2014-12-31

    Titanium oxide (TiO{sub X}) is an effective electron transport layer (ETL) in polymer solar cells (PSCs). We report efficient inverted PSCs with a simple solution-processed amorphous TiO{sub X} (s-TiO{sub X}) film as an ETL. The s-TiO{sub X} film with high light transmittance was prepared by spin-coating titanium (IV) isopropoxide isopropanol solution on indium tin oxide coated glass in inert and then placed in air under room temperature for 60 min. The introduction of s-TiO{sub X} ETL greatly improved the short circuit current density of the devices. PSCs based on poly(3-hexylthiophene):[6,6]-phenyl-C61-butyric acid methyl ester and poly(4,8-bis-alkyloxy-benzo[1,2-b:4,5-b′]dithiophene-alt-alkylcarbonyl -thieno[3,4-b]thiophene):[6,6]-phenyl- C71-butyric acid methyl ester using s-TiO{sub X} film as ETL shows high power conversion efficiency of 4.29% and 6.7% under the illumination of AM 1.5G, 100 mW/cm{sup 2}, which shows enhancements compared to the conventional PSCs with poly(styrenesulfonate)-doped poly(ethylenedioxythiophene) as anode buffer layer. In addition, the device exhibits good stability in a humid ambient atmosphere without capsulation. The results indicate that the annealing-free, simple solution processed s-TiO{sub X} film is an efficient ETL for high-performance PSCs. - Highlights: • High quality s-TiO{sub X} films were prepared by a simple, solution method without thermal treatment. • The s-TiO{sub X} films with high transmittance are very smooth. • The organic photovoltaic performance with s-TiO{sub X} film improved greatly and exhibited good stability. • The annealing-free, simple prepared s-TiO{sub X} film will be much compatible with flexible substrates.

  10. Molecular Engineering of Non-Halogenated Solution-Processable Bithiazole based Electron Transport Polymeric Semiconductors

    KAUST Repository

    Fu, Boyi; Wang, Cheng-Yin; Rose, Bradley Daniel; Jiang, Yundi; Chang, Mincheol; Chu, Ping-Hsun; Yuan, Zhibo; Fuentes-Hernandez, Canek; Bernard, Kippelen; Bredas, Jean-Luc; Collard, David M.; Reichmanis, Elsa

    2015-01-01

    The electron deficiency and trans planar conformation of bithiazole is potentially beneficial for the electron transport performance of organic semiconductors. However, the incorporation of bithiazole into polymers through a facile synthetic strategy remains a challenge. Herein, 2,2’-bithiazole was synthesized in one step and copolymerized with dithienyldiketopyrrolopyrrole to afford poly(dithienyldiketopyrrolopyrrole-bithiazole), PDBTz. PDBTz exhibited electron mobility reaching 0.3 cm2V-1s-1 in organic field-effect transistor (OFET) configuration; this contrasts with a recently discussed isoelectronic conjugated polymer comprising an electron rich bithiophene and dithienyldiketopyrrolopyrrole, which displays merely hole transport characteristics. This inversion of charge carrier transport characteristics confirms the significant potential for bithiazole in the development of electron transport semiconducting materials. Branched 5-decylheptacyl side chains were incorporated into PDBTz to enhance polymer solubility, particularly in non-halogenated, more environmentally compatible solvents. PDBTz cast from a range of non-halogenated solvents exhibited film morphologies and field-effect electron mobility similar to those cast from halogenated solvents.

  11. Molecular Engineering of Non-Halogenated Solution-Processable Bithiazole based Electron Transport Polymeric Semiconductors

    KAUST Repository

    Fu, Boyi

    2015-04-01

    The electron deficiency and trans planar conformation of bithiazole is potentially beneficial for the electron transport performance of organic semiconductors. However, the incorporation of bithiazole into polymers through a facile synthetic strategy remains a challenge. Herein, 2,2’-bithiazole was synthesized in one step and copolymerized with dithienyldiketopyrrolopyrrole to afford poly(dithienyldiketopyrrolopyrrole-bithiazole), PDBTz. PDBTz exhibited electron mobility reaching 0.3 cm2V-1s-1 in organic field-effect transistor (OFET) configuration; this contrasts with a recently discussed isoelectronic conjugated polymer comprising an electron rich bithiophene and dithienyldiketopyrrolopyrrole, which displays merely hole transport characteristics. This inversion of charge carrier transport characteristics confirms the significant potential for bithiazole in the development of electron transport semiconducting materials. Branched 5-decylheptacyl side chains were incorporated into PDBTz to enhance polymer solubility, particularly in non-halogenated, more environmentally compatible solvents. PDBTz cast from a range of non-halogenated solvents exhibited film morphologies and field-effect electron mobility similar to those cast from halogenated solvents.

  12. Solution structure and elevator mechanism of the membrane electron transporter CcdA.

    Science.gov (United States)

    Zhou, Yunpeng; Bushweller, John H

    2018-02-01

    Membrane oxidoreductase CcdA plays a central role in supplying reducing equivalents from the bacterial cytoplasm to the envelope. It transports electrons across the membrane using a single pair of cysteines by a mechanism that has not yet been elucidated. Here we report an NMR structure of the Thermus thermophilus CcdA (TtCcdA) in an oxidized and outward-facing state. CcdA consists of two inverted structural repeats of three transmembrane helices (2 × 3-TM). We computationally modeled and experimentally validated an inward-facing state, which suggests that CcdA uses an elevator-type movement to shuttle the reactive cysteines across the membrane. CcdA belongs to the LysE superfamily, and thus its structure may be relevant to other LysE clan transporters. Structure comparisons of CcdA, semiSWEET, Pnu, and major facilitator superfamily (MFS) transporters provide insights into membrane transporter architecture and mechanism.

  13. The EGS4 Code System: Solution of gamma-ray and electron transport problems

    International Nuclear Information System (INIS)

    Nelson, W.R.; Namito, Yoshihito.

    1990-01-01

    In this paper we present an overview of the EGS4 Code System -- a general purpose package for the Monte Carlo simulation of the transport of electrons and photons. During the last 10-15 years EGS has been widely used to design accelerators and detectors for high-energy physics. More recently the code has been found to be of tremendous use in medical radiation physics and dosimetry. The problem-solving capabilities of EGS4 will be demonstrated by means of a variety of practical examples. To facilitate this review, we will take advantage of a new add-on package, called SHOWGRAF, to display particle trajectories in complicated geometries. These are shown as 2-D laser pictures in the written paper and as photographic slides of a 3-D high-resolution color monitor during the oral presentation. 11 refs., 15 figs

  14. The EGS4 Code System: Solution of Gamma-ray and Electron Transport Problems

    Science.gov (United States)

    Nelson, W. R.; Namito, Yoshihito

    1990-03-01

    In this paper we present an overview of the EGS4 Code System -- a general purpose package for the Monte Carlo simulation of the transport of electrons and photons. During the last 10-15 years EGS has been widely used to design accelerators and detectors for high-energy physics. More recently the code has been found to be of tremendous use in medical radiation physics and dosimetry. The problem-solving capabilities of EGS4 will be demonstrated by means of a variety of practical examples. To facilitate this review, we will take advantage of a new add-on package, called SHOWGRAF, to display particle trajectories in complicated geometries. These are shown as 2-D laser pictures in the written paper and as photographic slides of a 3-D high-resolution color monitor during the oral presentation. 11 refs., 15 figs.

  15. Mass transfer in fuel cells. [electron microscopy of components, thermal decomposition of Teflon, water transport, and surface tension of KOH solutions

    Science.gov (United States)

    Walker, R. D., Jr.

    1973-01-01

    Results of experiments on electron microscopy of fuel cell components, thermal decomposition of Teflon by thermogravimetry, surface area and pore size distribution measurements, water transport in fuel cells, and surface tension of KOH solutions are described.

  16. Multilayered phosphorescent polymer light-emitting diodes using a solution-processed n-doped electron transport layer

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yuehua; Zhang, Mengke [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Zhang, Xinwen, E-mail: iamxwzhang@njupt.edu.cn [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Lei, Zhenfeng; Zhang, Xiaolin; Hao, Lin; Fan, Quli [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Lai, Wenyong, E-mail: iamwylai@njupt.edu.cn [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Huang, Wei [Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing University of Posts & Telecommunications, Nanjing 210023 (China); Key Laboratory of Flexible Electronics & Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, Nanjing 211816 (China)

    2017-06-15

    Efficient multilayered green phosphorescent polymer light-emitting devices (PhPLEDs) were successfully fabricated using a solution-processed n-doped small molecular electron transporting layer (ETL) composed of 1,3,5-tris(N-phenyl-benzimidazol-2-yl)-benzene (TPBi) and CsF. We found that the electroluminescence properties of the devices with n-doped ETLs are significantly improved. The maximum luminance efficiency of the device with 7.5 wt% CsF doped TPBi ETL reached 26.9 cd/A, which is 1.5 times as large as that of the undoped device. The impedance spectra of the devices and electron transport properties of the CsF doped ETLs demonstrate that doping dramatically decreases the impedance and enhances the electrical conductivity. Similarly, enhanced performance of PhPLED is also observed by use of CsF-doped 4,7-diphenyl-1,10 -phenanthroline (BPhen) ETL. These results demonstrate that CsF can be used as an effective n-dopant in solution-processed devices.

  17. Multilayered phosphorescent polymer light-emitting diodes using a solution-processed n-doped electron transport layer

    International Nuclear Information System (INIS)

    Chen, Yuehua; Zhang, Mengke; Zhang, Xinwen; Lei, Zhenfeng; Zhang, Xiaolin; Hao, Lin; Fan, Quli; Lai, Wenyong; Huang, Wei

    2017-01-01

    Efficient multilayered green phosphorescent polymer light-emitting devices (PhPLEDs) were successfully fabricated using a solution-processed n-doped small molecular electron transporting layer (ETL) composed of 1,3,5-tris(N-phenyl-benzimidazol-2-yl)-benzene (TPBi) and CsF. We found that the electroluminescence properties of the devices with n-doped ETLs are significantly improved. The maximum luminance efficiency of the device with 7.5 wt% CsF doped TPBi ETL reached 26.9 cd/A, which is 1.5 times as large as that of the undoped device. The impedance spectra of the devices and electron transport properties of the CsF doped ETLs demonstrate that doping dramatically decreases the impedance and enhances the electrical conductivity. Similarly, enhanced performance of PhPLED is also observed by use of CsF-doped 4,7-diphenyl-1,10 -phenanthroline (BPhen) ETL. These results demonstrate that CsF can be used as an effective n-dopant in solution-processed devices.

  18. Solute transport in soil

    NARCIS (Netherlands)

    Zee, van der S.E.A.T.M.; Leijnse, A.

    2013-01-01

    Solute transport is of importance in view of the movement of nutrient elements, e.g. towards the plant root system, and because of a broad range of pollutants. Pollution is not necessarily man induced, but may be due to geological or geohydrological causes, e.g. in the cases of pollution with

  19. Unified solution of the Boltzmann equation for electron and ion velocity distribution functions and transport coefficients in weakly ionized plasmas

    Science.gov (United States)

    Konovalov, Dmitry A.; Cocks, Daniel G.; White, Ronald D.

    2017-10-01

    The velocity distribution function and transport coefficients for charged particles in weakly ionized plasmas are calculated via a multi-term solution of Boltzmann's equation and benchmarked using a Monte-Carlo simulation. A unified framework for the solution of the original full Boltzmann's equation is presented which is valid for ions and electrons, avoiding any recourse to approximate forms of the collision operator in various limiting mass ratio cases. This direct method using Lebedev quadratures over the velocity and scattering angles avoids the need to represent the ion mass dependence in the collision operator through an expansion in terms of the charged particle to neutral mass ratio. For the two-temperature Burnett function method considered in this study, this amounts to avoiding the need for the complex Talmi-transformation methods and associated mass-ratio expansions. More generally, we highlight the deficiencies in the two-temperature Burnett function method for heavy ions at high electric fields to calculate the ion velocity distribution function, even though the transport coefficients have converged. Contribution to the Topical Issue "Physics of Ionized Gases (SPIG 2016)", edited by Goran Poparic, Bratislav Obradovic, Dragana Maric and Aleksandar Milosavljevic.

  20. Impact of the electron-transport layer on the performance of solution-processed small-molecule organic solar cells.

    Science.gov (United States)

    Long, Guankui; Wan, Xiangjian; Kan, Bin; Hu, Zhicheng; Yang, Xuan; Zhang, Yi; Zhang, Mingtao; Wu, Hongbing; Huang, Fei; Su, Shijian; Cao, Yong; Chen, Yongsheng

    2014-08-01

    Although the performance of polymer solar cells has been improved significantly recently through careful optimization with different interlayers for the same materials, more improvement is needed in this respect for small-molecule-based solar cells, particularly for the electron-transport layers (ETLs). In this work, three different solution-processed ETLs, PFN, ZnO nanoparticles, and LiF, were investigated and compared in the performance of small-molecule-based devices, and power conversion efficiencies (PCEs) of 8.32, 7.30, and 7.38% were achieved, respectively. The mechanism for the ETL-induced enhancement has been studied, and different ETLs have a significantly different impact on the device performance. The clearly improved performance of PFN is attributed to the combination of reduced bimolecular recombination and increased effective photon absorption in the active layer. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Inverted Organic Solar Cells with Low-Temperature Al-Doped-ZnO Electron Transport Layer Processed from Aqueous Solution

    Directory of Open Access Journals (Sweden)

    Qianni Zhang

    2018-01-01

    Full Text Available The aqueous-based Zn-ammine complex solutions represent one of the most promising routes to obtain the ZnO electron transport layer (ETL at a low temperature in inverted organic solar cells (OSCs. However, to dope the ZnO film processed from the Zn-ammine complex solutions is difficult since the introduction of metal ions into the Zn-ammine complex is a nontrivial process as ammonium hydroxide tends to precipitate metal salts due to acid-base neutralization reactions. In this paper, we investigate the inverted OSCs with Al-doped-ZnO ETL made by immersion of metallic Al into the Zn-ammine precursor solution. The effects of ZnO layer with different immersion time of Al on film properties and solar cell performance have been studied. The results show that, with the Al-doped-ZnO ETL, an improvement of the device performance could be obtained compared with the device with the un-doped ZnO ETL. The improved device performance is attributed to the enhancement of charge carrier mobility leading to a decreased charge carrier recombination and improved charge collection efficiency. The fabricated thin film transistors with the same ZnO or AZO films confirm the improved electrical characteristics of the Al doped ZnO film.

  2. Solution processed deposition of electron transport layers on perovskite crystal surface—A modeling based study

    Energy Technology Data Exchange (ETDEWEB)

    Mortuza, S.M.; Taufique, M.F.N.; Banerjee, Soumik, E-mail: soumik.banerjee@wsu.edu

    2017-02-01

    Highlights: • The model determined the surface coverage of solution-processed film on perovskite. • Calculated surface density map provides insight into morphology of the monolayer. • Carbonyl oxygen atom of PCBM strongly attaches to the (110) surface of perovskite. • Uniform distribution of clusters on perovskite surface at lower PCBM concentration. • Deposition rate of PCBM on the surface is very high at initial stage of film growth. - Abstract: The power conversion efficiency (PCE) of planar perovskite solar cells (PSCs) has reached up to ∼20%. However, structural and chemicals defects that lead to hysteresis in the perovskite based thin film pose challenges. Recent work has shown that thin films of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) deposited on the photo absorption layer, using solution processing techniques, minimize surface pin holes and defects thereby increasing the PCE. We developed and employed a multiscale model based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) to establish a relationship between deposition rate and surface coverage on perovskite surface. The MD simulations of PCBMs dispersed in chlorobenzene, sandwiched between (110) perovskite substrates, indicate that PCBMs are deposited through anchoring of the oxygen atom of carbonyl group to the exposed lead (Pb) atom of (110) perovskite surface. Based on rates of distinct deposition events calculated from MD, kMC simulations were run to determine surface coverage at much larger time and length scales than accessible by MD alone. Based on the model, a generic relationship is established between deposition rate of PCBMs and surface coverage on perovskite crystal. The study also provides detailed insights into the morphology of the deposited film.

  3. Solution processed deposition of electron transport layers on perovskite crystal surface—A modeling based study

    International Nuclear Information System (INIS)

    Mortuza, S.M.; Taufique, M.F.N.; Banerjee, Soumik

    2017-01-01

    Highlights: • The model determined the surface coverage of solution-processed film on perovskite. • Calculated surface density map provides insight into morphology of the monolayer. • Carbonyl oxygen atom of PCBM strongly attaches to the (110) surface of perovskite. • Uniform distribution of clusters on perovskite surface at lower PCBM concentration. • Deposition rate of PCBM on the surface is very high at initial stage of film growth. - Abstract: The power conversion efficiency (PCE) of planar perovskite solar cells (PSCs) has reached up to ∼20%. However, structural and chemicals defects that lead to hysteresis in the perovskite based thin film pose challenges. Recent work has shown that thin films of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) deposited on the photo absorption layer, using solution processing techniques, minimize surface pin holes and defects thereby increasing the PCE. We developed and employed a multiscale model based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) to establish a relationship between deposition rate and surface coverage on perovskite surface. The MD simulations of PCBMs dispersed in chlorobenzene, sandwiched between (110) perovskite substrates, indicate that PCBMs are deposited through anchoring of the oxygen atom of carbonyl group to the exposed lead (Pb) atom of (110) perovskite surface. Based on rates of distinct deposition events calculated from MD, kMC simulations were run to determine surface coverage at much larger time and length scales than accessible by MD alone. Based on the model, a generic relationship is established between deposition rate of PCBMs and surface coverage on perovskite crystal. The study also provides detailed insights into the morphology of the deposited film.

  4. 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)

  5. Solute carrier transporters: Pharmacogenomics research ...

    African Journals Online (AJOL)

    Aghogho

    2010-12-27

    Dec 27, 2010 ... This paper reviews the solute carrier transporters and highlights the fact that there is much to be learnt from .... transporters, drug targets, effect or proteins and meta- ... basolateral or apical plasma membrane of polarized cells,.

  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. A closed-form solution for the two-dimensional Fokker-Planck equation for electron transport in the range of Compton Effect

    International Nuclear Information System (INIS)

    Rodriguez, B.D.A.; Vilhena, M.T.; Borges, V.; Hoff, G.

    2008-01-01

    In this paper we solve the Fokker-Planck (FP) equation, an alternative approach for the Boltzmann transport equation for charged particles in a rectangular domain. To construct the solution we begin applying the P N approximation in the angular variable and the Laplace Transform in the x-variable, thus obtaining a first order linear differential equation in y-variable, which the solution is straightforward. The angular flux of electrons and the parameters of the medium are used for the calculation of the energy deposited by the secondary electrons generated by Compton Effect. The remaining effects will not be taken into account. The results will be presented under absorbed energy form in several points of interested. We present numerical simulations and comparisons with results obtained by using Geant4 (version 8) program which applies the Monte Carlo's technique to low energy libraries for a two-dimensional problem assuming the screened Rutherford differential scattering cross-section

  8. 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.

  9. Low-temperature, solution-processed aluminum-doped zinc oxide as electron transport layer for stable efficient polymer solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Qianqian [College of Materials Science and Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Bao, Xichang, E-mail: baoxc@qibebt.ac.cn [Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Yu, Jianhua [College of Materials Science and Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Zhu, Dangqiang [Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Zhang, Qian [College of Materials Science and Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Gu, Chuantao [Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Dong, Hongzhou [College of Materials Science and Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Yang, Renqiang [Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Dong, Lifeng, E-mail: DongLifeng@qust.edu.cn [College of Materials Science and Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Department of Physics, Hamline University, St. Paul, MN 55104 (United States)

    2016-04-30

    A simple low-temperature solution-processed zinc oxide (ZnO) and aluminum-doped ZnO (AZO) were synthesized and investigated as an electron transport layer (ETL) for inverted polymer solar cells. A solar cell with a blend of poly(4,8-bis-alkyloxy-benzo[1,2-b:4,5-b′] dithiophene-alt-alkylcarbonyl-thieno [3,4-b] thiophene) and (6,6)-phenyl-C71-butyric acid methyl ester as an active layer and AZO as ETL demonstrates a high power conversion efficiency (PCE) of 7.36% under the illumination of AM 1.5G, 100 mW/cm{sup 2}. Compared to the cells with ZnO ETL (PCE of 6.85%), the PCE is improved by 7.45% with the introduction of an AZO layer. The improved PCE is ascribed to the enhanced short circuit current density, which results from the electron transport property of the AZO layer. Moreover, AZO is a more stable interfacial layer than ZnO. The PCE of the solar cells with AZO as ETL retain 85% of their original value after storage for 120 days, superior to the 39% of cells with ZnO ETL. The results above indicate that a simple low-temperature solution-processed AZO film is an efficient and economical ETL for high-performance inverted polymer solar cells. Due to its environmental friendliness, good electrical properties, and simple preparation approach, AZO has the potential to be applied in high-performance, large-scale industrialization of solar cells and other electronic devices. - Highlights: • ZnO and AZO were synthesized by a simple low-temperature solution-processed method. • AZO films show high transmittance and conductivity. • The photovoltaic performance can be improved with AZO as ETL. • AZO-based devices demonstrate excellent stability, with 85% retained after 120 days.

  10. Polymer solar cells with efficiency >10% enabled via a facile solution-processed Al-doped ZnO electron transporting layer

    KAUST Repository

    Jagadamma, Lethy Krishnan

    2015-10-05

    The present work details a facile and low-temperature (125C) solution-processed Al-doped ZnO (AZO) buffer layer functioning very effectively as electron accepting/hole blocking layer for a wide range of polymer:fullerene bulk heterojunction systems, and yielding power conversion efficiency in excess of 10% (8%) on glass (plastic) substrates. We show that ammonia addition to the aqueous AZO nanoparticle solution is a critically important step toward producing compact and smooth thin films which partially retain the aluminum doping and crystalline order of the starting AZO nanocrystals. The ammonia treatment appears to reduce the native defects via nitrogen incorporation, making the AZO film a very good electron transporter and energetically matched with the fullerene acceptor. Importantly, highly efficient solar cells are achieved without the need for additional surface chemical passivation or modification, which has become an increasingly common route to improving the performance of evaporated or solution-processed ZnO ETLs in solar cells.

  11. Polymer Solar Cells with Efficiency >10% Enabled via a Facile Solution-Processed Al-Doped ZnO Electron Transporting Layer

    KAUST Repository

    Jagadamma, Lethy Krishnan

    2015-04-22

    A facile and low-temperature (125 °C) solution-processed Al-doped ZnO (AZO) buffer layer functioning very effectively as electron accepting/hole blocking layer for a wide range of polymer:fullerene bulk heterojunction systems, yielding power conversion efficiency in excess of 10% (8%) on glass (plastic) substrates is described. The ammonia-treatment of the aqueous AZO nanoparticle solution produces compact, crystalline, and smooth thin films, which retain the aluminum doping, and eliminates/reduces the native defects by nitrogen incorporation, making them good electron transporters and energetically matched with the fullerene acceptor. It is demonstrated that highly efficient solar cells can be achieved without the need for additional surface chemical modifications of the buffer layer, which is a common requirement for many metal oxide buffer layers to yield efficient solar cells. Also highly efficient solar cells are achieved with thick AZO films (>50 nm), highlighting the suitability of this material for roll-to-roll coating. Preliminary results on the applicability of AZO as electron injection layer in F8BT-based polymer light emitting diode are also presented. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. A closed-form solution for the two-dimensional Fokker-Planck equation for electron transport in the range of Compton Effect

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez, B.D.A. [Universidade Federal Rio Grande do Sul, Programa de Pos-Graduacao em Engenharia Mecanica, Rua Portuguesa 218/304, 90650-12 Porto Alegre, RS (Brazil)], E-mail: barbara.arodriguez@gmail.com; Vilhena, M.T. [Universidade Federal Rio Grande do Sul, Departamento de Matematica Pura e Aplicada, Porto Alegre, RS (Brazil)], E-mail: vilhena@mat.ufrgs.br; Borges, V. [Universidade Federal Rio Grande do Sul, Programa de Pos-Graduacao em Engenharia Mecanica, Rua Portuguesa 218/304, 90650-12 Porto Alegre, RS (Brazil)], E-mail: borges@ufrgs.br; Hoff, G. [Pontificia Universidade Catolica do Rio Grande do Sul, Faculdade de Fisica, Porto Alegre, RS (Brazil)], E-mail: hoff@pucrs.br

    2008-05-15

    In this paper we solve the Fokker-Planck (FP) equation, an alternative approach for the Boltzmann transport equation for charged particles in a rectangular domain. To construct the solution we begin applying the P{sub N} approximation in the angular variable and the Laplace Transform in the x-variable, thus obtaining a first order linear differential equation in y-variable, which the solution is straightforward. The angular flux of electrons and the parameters of the medium are used for the calculation of the energy deposited by the secondary electrons generated by Compton Effect. The remaining effects will not be taken into account. The results will be presented under absorbed energy form in several points of interested. We present numerical simulations and comparisons with results obtained by using Geant4 (version 8) program which applies the Monte Carlo's technique to low energy libraries for a two-dimensional problem assuming the screened Rutherford differential scattering cross-section.

  13. Nonlocal electron transport: direct and Greens function solution and comparison of our model with the SNB model

    Science.gov (United States)

    Colombant, Denis; Manheimer, Wallace; Schmitt, Andrew J.

    2013-10-01

    At least two models, ours and SNB (Schurtz-Nicolai-Busquet), and two methods of solution, direct numerical solution (DS) and Greens function (GF) are being used in multi-dimensional radiation hydrodynamics codes. We present results of a laser target implosion using both methods of solution. Although our model and SNB differ in some physical content, direct comparisons have been non-existent up to now. However a paper by Marocchino et al. has recently presented the results of two nanosecond-time-scale test problems, showing that the preheat calculated by the two models are different by about three orders of magnitude. We have rerun these problems and we find much less difference between the two than they do. One can show analytically that the results should be quite similar and are about an order of magnitude less than the maximum, and two orders of magnitude more than the minimum preheating in. We have been able to trace the somewhat different results back to the different physical assumptions made in each model. Work supported by DoE-NNSA and ONR.

  14. Polymer Solar Cells with Efficiency >10% Enabled via a Facile Solution-Processed Al-Doped ZnO Electron Transporting Layer

    KAUST Repository

    Jagadamma, Lethy Krishnan; Al-Senani, Mohammed; El Labban, Abdulrahman; Gereige, Issam; Ngongang Ndjawa, Guy Olivier; Faria, Jorge C D; Kim, Taesoo; Zhao, Kui; Cruciani, Federico; Anjum, Dalaver H.; McLachlan, Martyn A.; Beaujuge, Pierre; Amassian, Aram

    2015-01-01

    /reduces the native defects by nitrogen incorporation, making them good electron transporters and energetically matched with the fullerene acceptor. It is demonstrated that highly efficient solar cells can be achieved without the need for additional surface chemical

  15. 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.

  16. 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

  17. 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...

  18. Peritoneal solute transport and inflammation.

    Science.gov (United States)

    Davies, Simon J

    2014-12-01

    The speed with which small solutes cross the peritoneal membrane, termed peritoneal solute transport rate (PSTR), is a key measure of individual membrane performance. PSTR can be quantified easily by using the 4-hour dialysate to plasma creatinine ratio, which, although only an approximation to the diffusive characteristics of the membrane, has been well validated clinically in terms of its relationship to patient survival and changes in longitudinal membrane function. This has led to changes in peritoneal dialysis modality use and dialysis prescription. An important determinant of PSTR is intraperitoneal inflammation, as exemplified by local interleukin 6 production, which is largely independent of systemic inflammation and its relationship to comorbid conditions and increased mortality. There is no strong evidence to support the contention that the peritoneal membrane in some individuals with high PSTR is qualitatively different at the start of treatment; rather, it represents a spectrum that is determined in part by genetic factors. Both clinical and experimental evidence support the view that persistent intraperitoneal inflammation, detected as a continuously high or increasing PSTR, may predispose the membrane to progressive fibrosis. Copyright © 2014 National Kidney Foundation, Inc. Published by Elsevier Inc. All rights reserved.

  19. 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

  20. Polymer solar cells with efficiency >10% enabled via a facile solution-processed Al-doped ZnO electron transporting layer

    KAUST Repository

    Jagadamma, Lethy Krishnan; Al-Senani, Mohammed; Amassian, Aram

    2015-01-01

    The present work details a facile and low-temperature (125C) solution-processed Al-doped ZnO (AZO) buffer layer functioning very effectively as electron accepting/hole blocking layer for a wide range of polymer:fullerene bulk heterojunction systems

  1. 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

  2. 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

  3. Urban Transportation: Issue and Solution

    Directory of Open Access Journals (Sweden)

    Haryati Shafii

    2011-10-01

    Full Text Available Generally, quality of life of urban population is heavily dependent on social facilities provided within the environment. One of the most important facilities is transportations. Study on transportation mode in an urban area is especially very important because for almost every individual living in a large and densely populated area, mobility is one of the most crucial issues in everyday life. Enhance mobility, faster journey to work and less pollution from petrol-propelled vehicles can increase the quality of life, which in turn lead to a sustainable urban living. The study present transportation mode usage issues faced by community related to quality of life in an urban area. This study identifies several issues of transportation mode in urban areas and its impact on the quality of life. The study areas are Putrajaya, Kuala Lumpur and Bandar Kajang, Selangor. The methodology used in this research is secondary and primary data. The questionnaires for the survey were distributed from May 2008 to Jun 2008. These researches were conducted on 144 respondents for to evaluate their perception of transportation mode correlated to the quality of life. The collected data were then analyzed using “Statistical Packages for the Social Science” (SPSS. The respondents comprise of 61 males and 84 females from the age group of 18 to 57 years. This study identifies the percentage of public transportation mode usage in urban area, such as buses (16.7%, train (ERL, monorail and commuter-6.4%; which is very low compared to owning personal car (45.8% and motorcycle (25.4%.The result shows owning personal car is the highest (45.8% in three study areas and monorail and taxi are the lowest (1.4%. The Chi Square Test shows that among the mode transportation with traffic jam is quite difference in Kuala Lumpur, Putrajaya and Kajang. Analysis of the Chi Square Test shows the result is 0.000 (two sides to respondent answering “yes” and analysis of Spearman

  4. 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...

  5. Solution-Processed In2O3/ZnO Heterojunction Electron Transport Layers for Efficient Organic Bulk Heterojunction and Inorganic Colloidal Quantum-Dot Solar Cells

    KAUST Repository

    Eisner, Flurin

    2018-04-25

    We report the development of a solution‐processed In2O3/ZnO heterojunction electron transport layer (ETL) and its application in high efficiency organic bulk‐heterojunction (BHJ) and inorganic colloidal quantum dot (CQD) solar cells. Study of the electrical properties of this low‐dimensional oxide heterostructure via field‐effect measurements reveals that electron transport along the heterointerface is enhanced by more than a tenfold when compared to the individual single‐layer oxides. Use of the heterojunction as the ETL in organic BHJ photovoltaics is found to consistently improve the cell\\'s performance due to the smoothening of the ZnO surface, increased electron mobility and a noticeable reduction in the cathode\\'s work function, leading to a decrease in the cells’ series resistance and a higher fill factor (FF). Specifically, non‐fullerene based organic BHJ solar cells based on In2O3/ZnO ETLs exhibit very high power conversion efficiencies (PCE) of up to 12.8%, and high FFs of over 70%. The bilayer ETL concept is further extended to inorganic lead‐sulphide CQD solar cells. Resulting devices exhibit excellent performance with a maximum PCE of 8.2% and a FF of 56.8%. The present results highlight the potential of multilayer oxides as novel ETL systems and lay the foundation for future developments.

  6. Transport coefficients and cross sections for electrons in water vapour: Comparison of cross section sets using an improved Boltzmann equation solution

    Science.gov (United States)

    Ness, K. F.; Robson, R. E.; Brunger, M. J.; White, R. D.

    2012-01-01

    This paper revisits the issues surrounding computation of electron transport properties in water vapour as a function of E/n0 (the ratio of the applied electric field to the water vapour number density) up to 1200 Td. We solve the Boltzmann equation using an improved version of the code of Ness and Robson [Phys. Rev. A 38, 1446 (1988)], facilitating the calculation of transport coefficients to a considerably higher degree of accuracy. This allows a correspondingly more discriminating test of the various electron-water vapour cross section sets proposed by a number of authors, which has become an important issue as such sets are now being applied to study electron driven processes in atmospheric phenomena [P. Thorn, L. Campbell, and M. Brunger, PMC Physics B 2, 1 (2009)] and in modeling charged particle tracks in matter [A. Munoz, F. Blanco, G. Garcia, P. A. Thorn, M. J. Brunger, J. P. Sullivan, and S. J. Buckman, Int. J. Mass Spectrom. 277, 175 (2008)].

  7. Solution-Processed In2O3/ZnO Heterojunction Electron Transport Layers for Efficient Organic Bulk Heterojunction and Inorganic Colloidal Quantum-Dot Solar Cells

    KAUST Repository

    Eisner, Flurin; Seitkhan, Akmaral; Han, Yang; Khim, Dongyoon; Yengel, Emre; Kirmani, Ahmad R.; Xu, Jixian; Garcí a de Arquer, F. Pelayo; Sargent, Edward H.; Amassian, Aram; Fei, Zhuping; Heeney, Martin; Anthopoulos, Thomas D.

    2018-01-01

    We report the development of a solution‐processed In2O3/ZnO heterojunction electron transport layer (ETL) and its application in high efficiency organic bulk‐heterojunction (BHJ) and inorganic colloidal quantum dot (CQD) solar cells. Study of the electrical properties of this low‐dimensional oxide heterostructure via field‐effect measurements reveals that electron transport along the heterointerface is enhanced by more than a tenfold when compared to the individual single‐layer oxides. Use of the heterojunction as the ETL in organic BHJ photovoltaics is found to consistently improve the cell's performance due to the smoothening of the ZnO surface, increased electron mobility and a noticeable reduction in the cathode's work function, leading to a decrease in the cells’ series resistance and a higher fill factor (FF). Specifically, non‐fullerene based organic BHJ solar cells based on In2O3/ZnO ETLs exhibit very high power conversion efficiencies (PCE) of up to 12.8%, and high FFs of over 70%. The bilayer ETL concept is further extended to inorganic lead‐sulphide CQD solar cells. Resulting devices exhibit excellent performance with a maximum PCE of 8.2% and a FF of 56.8%. The present results highlight the potential of multilayer oxides as novel ETL systems and lay the foundation for future developments.

  8. 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.

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

    KAUST Repository

    Onwubiko, Ada

    2018-01-23

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

  10. 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.

  11. 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.

  12. 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.

  13. The solute carrier 6 family of transporters

    DEFF Research Database (Denmark)

    Bröer, Stefan; Gether, Ulrik

    2012-01-01

    of these transporters is associated with a variety of diseases. Pharmacological inhibition of the neurotransmitter transporters in this family is an important strategy in the management of neurological and psychiatric disorders. This review provides an overview of the biochemical and pharmacological properties......The solute carrier 6 (SLC6) family of the human genome comprises transporters for neurotransmitters, amino acids, osmolytes and energy metabolites. Members of this family play critical roles in neurotransmission, cellular and whole body homeostasis. Malfunction or altered expression...... of the SLC6 family transporters....

  14. Solution-processed zinc oxide/polyethylenimine nanocomposites as tunable electron transport layers for highly efficient bulk heterojunction polymer solar cells.

    Science.gov (United States)

    Chen, Hsiu-Cheng; Lin, Shu-Wei; Jiang, Jian-Ming; Su, Yu-Wei; Wei, Kung-Hwa

    2015-03-25

    In this study, we employed polyethylenimine-doped sol-gel-processed zinc oxide composites (ZnO:PEI) as efficient electron transport layers (ETL) for facilitating electron extraction in inverted polymer solar cells. Using ultraviolet photoelectron spectroscopy, synchrotron grazing-incidence small-angle X-ray scattering and transmission electron microscopy, we observed that ZnO:PEI composite films' energy bands could be tuned considerably by varying the content of PEI up to 7 wt %-the conduction band ranged from 4.32 to 4.0 eV-and the structural order of ZnO in the ZnO:PEI thin films would be enhanced to align perpendicular to the ITO electrode, particularly at 7 wt % PEI, facilitating electron transport vertically. We then prepared two types of bulk heterojunction systems-based on poly(3-hexylthiophene) (P3HT):phenyl-C61-butryric acid methyl ester (PC61BM) and benzo[1,2-b:4,5-b́]dithiophene-thiophene-2,1,3-benzooxadiazole (PBDTTBO):phenyl-C71-butryric acid methyl ester (PC71BM)-that incorporated the ZnO:PEI composite layers. When using a composite of ZnO:PEI (93:7, w/w) as the ETL, the power conversion efficiency (PCE) of the P3HT:PC61BM (1:1, w/w) device improved to 4.6% from a value of 3.7% for the corresponding device that incorporated pristine ZnO as the ETL-a relative increase of 24%. For the PBDTTBO:PC71BM (1:2, w/w) device featuring the same amount of PEI blended in the ETL, the PCE improved to 8.7% from a value of 7.3% for the corresponding device that featured pure ZnO as its ETL-a relative increase of 20%. Accordingly, ZnO:PEI composites can be effective ETLs within organic photovoltaics.

  15. Mass transport in polyelectrolyte solutions

    Science.gov (United States)

    Schipper, F. J. M.; Leyte, J. C.

    1999-02-01

    The self-diffusion coefficients of the three components of a salt-free heavy-water solution of polymethacrylic acid, completely neutralized with tetra-methylammonium hydroxide, were measured over a broad concentration range. Three concentration regions were observed for the self-diffusion of both the polyions and the counterions. At polyion concentrations below 0.01 mol monomer kg-1, the dilute concentration regime for the polymer, the polyion self-diffusion coefficient approaches the self-diffusion coefficient of a freely diffusing rod upon dilution. At polyelectrolyte concentrations above 0.1 mol monomer kg-1, the self-diffusion coefficients of the solvent, the counterions and the polymer decreased with concentration, suggesting that this decrease is due to a topological constraint on the motions of the components. In the intermediate-concentration region, the self-diffusion coefficients of the polyions and the counterions are independent of the concentration. The polyion dynamic behaviour is, in the intermediate- and high-concentration regions, reasonably well described by that of a hard sphere, with a radius of 3.7 nm. A correct prediction for the solvent dynamics is given by the obstruction effect of this hard sphere on the solvent. The relative counterion self-diffusion coefficient is predicted almost quantitatively over the entire concentration range with the Poisson-Boltzmann-Smoluchowski model for the spherical cell, provided that the sphere radius and the number of charges are chosen appropriately (approximately the number of charges in a persistence length). Using this model, the dependence of the counterion self-diffusion coefficient on the ionic strength, polyion concentration and counterion radius is calculated quantitatively over a large concentration range.

  16. 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)

  17. 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...

  18. 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...

  19. 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

  20. 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.

  1. Solution processed metal oxide thin film hole transport layers for high performance organic solar cells

    Science.gov (United States)

    Steirer, K. Xerxes; Berry, Joseph J.; Chesin, Jordan P.; Lloyd, Matthew T.; Widjonarko, Nicodemus Edwin; Miedaner, Alexander; Curtis, Calvin J.; Ginley, David S.; Olson, Dana C.

    2017-01-10

    A method for the application of solution processed metal oxide hole transport layers in organic photovoltaic devices and related organic electronics devices is disclosed. The metal oxide may be derived from a metal-organic precursor enabling solution processing of an amorphous, p-type metal oxide. An organic photovoltaic device having solution processed, metal oxide, thin-film hole transport layer.

  2. 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

  3. 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.

  4. Improved electron injection and transport by use of baking soda as a low-cost, air-stable, n-dopant for solution-processed phosphorescent organic light-emitting diodes

    Science.gov (United States)

    Earmme, Taeshik; Jenekhe, Samson A.

    2013-06-01

    Sodium bicarbonate (baking soda, NaHCO3) is found to be an efficient low-cost, air-stable, and environmentally friendly n-dopant for electron-transport layer (ETL) in solution-processed phosphorescent organic light-emitting diodes (PhOLEDs). A 2.0-fold enhancement in power efficiency of blue PhOLEDs is observed by use of NaHCO3-doped 4,7-diphenyl-1,10-phenanthroline (BPhen) ETL. The bulk conductivity of NaHCO3-doped BPhen film is increased by 5 orders of magnitude. Enhanced performance of PhOLEDs is similarly observed by use of NaHCO3-doped 1,3,5-tris(m-pyrid-3-yl-phenyl)benzene ETL. These results demonstrate that sodium bicarbonate is an effective n-dopant in organic electronics.

  5. Electrolyte solution transport in electropolar nanotubes

    International Nuclear Information System (INIS)

    Zhao Jianbing; Culligan, Patricia J; Chen Xi; Qiao Yu; Zhou Qulan; Li Yibing; Tak, Moonho; Park, Taehyo

    2010-01-01

    Electrolyte transport in nanochannels plays an important role in a number of emerging areas. Using non-equilibrium molecular dynamics (NEMD) simulations, the fundamental transport behavior of an electrolyte/water solution in a confined model nanoenvironment is systematically investigated by varying the nanochannel dimension, solid phase, electrolyte phase, ion concentration and transport rate. It is found that the shear resistance encountered by the nanofluid strongly depends on these material/system parameters; furthermore, several effects are coupled. The mechanisms of the nanofluidic transport characteristics are explained by considering the unique molecular/ion structure formed inside the nanochannel. The lower shear resistance observed in some of the systems studies could be beneficial for nanoconductors, while the higher shear resistance (or higher effective viscosity) observed in other systems might enhance the performance of energy dissipation devices.

  6. 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 \

  7. Reexamining ultrafiltration and solute transport in groundwater

    Science.gov (United States)

    Neuzil, C. E.; Person, Mark

    2017-06-01

    Geologic ultrafiltration—slowing of solutes with respect to flowing groundwater—poses a conundrum: it is consistently observed experimentally in clay-rich lithologies, but has been difficult to identify in subsurface data. Resolving this could be important for clarifying clay and shale transport properties at large scales as well as interpreting solute and isotope patterns for applications ranging from nuclear waste repository siting to understanding fluid transport in tectonically active environments. Simulations of one-dimensional NaCl transport across ultrafiltering clay membrane strata constrained by emerging data on geologic membrane properties showed different ultrafiltration effects than have often been envisioned. In relatively high-permeability advection-dominated regimes, salinity increases occurred mostly within membrane units while their effluent salinity initially fell and then rose to match solute delivery. In relatively low-permeability diffusion-dominated regimes, salinity peaked at the membrane upstream boundary and effluent salinity remained low. In both scenarios, however, only modest salinity changes (up to ˜3 g L-1) occurred because of self-limiting tendencies; membrane efficiency declines as salinity rises, and although sediment compaction increases efficiency, it is also decreases permeability and allows diffusive transport to dominate. It appears difficult for ultrafiltration to generate brines as speculated, but widespread and less extreme ultrafiltration effects in the subsurface could be unrecognized. Conditions needed for ultrafiltration are present in settings that include topographically-driven flow systems, confined aquifer systems subjected to injection or withdrawal, compacting basins, and accretionary complexes.

  8. 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...

  9. Pathogen transport in groundwater systems: contrasts with traditional solute transport

    Science.gov (United States)

    Hunt, Randall J.; Johnson, William P.

    2017-06-01

    Water quality affects many aspects of water availability, from precluding use to societal perceptions of fit-for-purpose. Pathogen source and transport processes are drivers of water quality because they have been responsible for numerous outbreaks resulting in large economic losses due to illness and, in some cases, loss of life. Outbreaks result from very small exposure (e.g., less than 20 viruses) from very strong sources (e.g., trillions of viruses shed by a single infected individual). Thus, unlike solute contaminants, an acute exposure to a very small amount of contaminated water can cause immediate adverse health effects. Similarly, pathogens are larger than solutes. Thus, interactions with surfaces and settling become important even as processes important for solutes such as diffusion become less important. These differences are articulated in "Colloid Filtration Theory", a separate branch of pore-scale transport. Consequently, understanding pathogen processes requires changes in how groundwater systems are typically characterized, where the focus is on the leading edges of plumes and preferential flow paths, even if such features move only a very small fraction of the aquifer flow. Moreover, the relatively short survival times of pathogens in the subsurface require greater attention to very fast (solute transport mechanisms discussed here, a more encompassing view of water quality and source water protection is attained. With this more holistic view and theoretical understanding, better evaluations can be made regarding drinking water vulnerability and the relation between groundwater and human health.

  10. Redox activity distinguishes solid-state electron transport from solution-based electron transfer in a natural and artificial protein: cytochrome C and hemin-doped human serum albumin.

    Science.gov (United States)

    Amdursky, Nadav; Ferber, Doron; Pecht, Israel; Sheves, Mordechai; Cahen, David

    2013-10-28

    Integrating proteins in molecular electronic devices requires control over their solid-state electronic transport behavior. Unlike "traditional" electron transfer (ET) measurements of proteins that involve liquid environments and a redox cycle, no redox cofactor is needed for solid-state electron transport (ETp) across the protein. Here we show the fundamental difference between these two approaches by macroscopic area measurements, which allow measuring ETp temperature dependence down to cryogenic temperatures, via cytochrome C (Cyt C), an ET protein with a heme (Fe-porphyrin) prosthetic group as a redox centre. We compare the ETp to electrochemical ET measurements, and do so also for the protein without the Fe (with metal-free porphyrin) and without porphyrin. As removing the porphyrin irreversibly alters the protein's conformation, we repeat these measurements with human serum albumin (HSA), 'doped' (by non-covalent binding) with a single hemin equivalent, i.e., these natural and artificial proteins share a common prosthetic group. ETp via Cyt C and HSA-hemin are very similar in terms of current magnitude and temperature dependence, which suggests similar ETp mechanisms via these two systems, thermally activated hopping (with ~0.1 eV activation energy) >190 K and tunneling by superexchange Fe(3+) + e(-)), measured by electrochemistry of HSA-hemin are only 4 times lower than those for Cyt C. However, while removing the Fe redox centre from the porphyrin ring markedly affects the ET rate, it hardly changes the ETp currents through these proteins, while removing the macrocycle (from HSA, which retains its conformation) significantly reduces ETp efficiency. These results show that solid-state ETp across proteins does not require the presence of a redox cofactor, and that while for ET the Fe ion is the main electron mediator, for ETp the porphyrin ring has this function.

  11. Exact solution of the neutron transport equation in spherical geometry

    Energy Technology Data Exchange (ETDEWEB)

    Anli, Fikret; Akkurt, Abdullah; Yildirim, Hueseyin; Ates, Kemal [Kahramanmaras Suetcue Imam Univ. (Turkey). Faculty of Sciences and Letters

    2017-03-15

    Solution of the neutron transport equation in one dimensional slab geometry construct a basis for the solution of neutron transport equation in a curvilinear geometry. Therefore, in this work, we attempt to derive an exact analytical benchmark solution for both neutron transport equations in slab and spherical medium by using P{sub N} approximation which is widely used in neutron transport theory.

  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. 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. 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

  15. Analytic solution for a quartic electron mirror

    Energy Technology Data Exchange (ETDEWEB)

    Straton, Jack C., E-mail: straton@pdx.edu

    2015-01-15

    A converging electron mirror can be used to compensate for spherical and chromatic aberrations in an electron microscope. This paper presents an analytical solution to a diode (two-electrode) electrostatic mirror including the next term beyond the known hyperbolic shape. The latter is a solution of the Laplace equation to second order in the variables perpendicular to and along the mirror's radius (z{sup 2}−r{sup 2}/2) to which we add a quartic term (kλz{sup 4}). The analytical solution is found in terms of Jacobi cosine-amplitude functions. We find that a mirror less concave than the hyperbolic profile is more sensitive to changes in mirror voltages and the contrary holds for the mirror more concave than the hyperbolic profile. - Highlights: • We find the analytical solution for electron mirrors whose curvature has z4 dependence added to the usual z{sup 2} – r{sup 2}/2 terms. • The resulting Jacobi cosine-amplitude function reduces to the well-known cosh solution in the limit where the new term is 0. • This quartic term gives a mirror designer additional flexibility for eliminating spherical and chromatic aberrations. • The possibility of using these analytical results to approximately model spherical tetrode mirrors close to axis is noted.

  16. 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.)

  17. Reactive solute transport in acidic streams

    Science.gov (United States)

    Broshears, R.E.

    1996-01-01

    Spatial and temporal profiles of Ph and concentrations of toxic metals in streams affected by acid mine drainage are the result of the interplay of physical and biogeochemical processes. This paper describes a reactive solute transport model that provides a physically and thermodynamically quantitative interpretation of these profiles. The model combines a transport module that includes advection-dispersion and transient storage with a geochemical speciation module based on MINTEQA2. Input to the model includes stream hydrologic properties derived from tracer-dilution experiments, headwater and lateral inflow concentrations analyzed in field samples, and a thermodynamic database. Simulations reproduced the general features of steady-state patterns of observed pH and concentrations of aluminum and sulfate in St. Kevin Gulch, an acid mine drainage stream near Leadville, Colorado. These patterns were altered temporarily by injection of sodium carbonate into the stream. A transient simulation reproduced the observed effects of the base injection.

  18. Numerical solution of the radionuclide transport equation

    International Nuclear Information System (INIS)

    Hadermann, J.; Roesel, F.

    1983-11-01

    A numerical solution of the one-dimensional geospheric radionuclide chain transport equation based on the pseudospectral method is developed. The advantages of this approach are flexibility in incorporating space and time dependent migration parameters, arbitrary boundary conditions and solute rock interactions as well as efficiency and reliability. As an application the authors investigate the impact of non-linear sorption isotherms on migration in crystalline rock. It is shown that non-linear sorption, in the present case a Freundlich isotherm, may reduce concentration at the geosphere outlet by orders of magnitude provided the migration time is comparable or larger than the half-life of the nuclide in question. The importance of fixing dispersivity within the continuum approach is stressed. (Auth.)

  19. 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

  20. 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

  1. 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)

  2. 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

  3. 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.

  4. 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

  5. Coupled geochemical and solute transport code development

    International Nuclear Information System (INIS)

    Morrey, J.R.; Hostetler, C.J.

    1985-01-01

    A number of coupled geochemical hydrologic codes have been reported in the literature. Some of these codes have directly coupled the source-sink term to the solute transport equation. The current consensus seems to be that directly coupling hydrologic transport and chemical models through a series of interdependent differential equations is not feasible for multicomponent problems with complex geochemical processes (e.g., precipitation/dissolution reactions). A two-step process appears to be the required method of coupling codes for problems where a large suite of chemical reactions must be monitored. Two-step structure requires that the source-sink term in the transport equation is supplied by a geochemical code rather than by an analytical expression. We have developed a one-dimensional two-step coupled model designed to calculate relatively complex geochemical equilibria (CTM1D). Our geochemical module implements a Newton-Raphson algorithm to solve heterogeneous geochemical equilibria, involving up to 40 chemical components and 400 aqueous species. The geochemical module was designed to be efficient and compact. A revised version of the MINTEQ Code is used as a parent geochemical code

  6. Transport of reactive and nonreactive solutes

    International Nuclear Information System (INIS)

    Garabedian, S.P.; Leblanc, D.R.

    1990-01-01

    A natural-gradient tracer test was conducted on Cape Cod, Massachusetts, to examine the transport and dispersion of solutes in a sand and gravel aquifer. A nonreactive tracer, bromide, and two reactive tracers, lithium and molybdate, were injected as a pulse in July 1985 and monitored in three dimensions for 3 years as they moved 280 meters downgradient through an array of multilevel samplers. The tracer transport was quantified using spatial moments. The calculated total mass of bromide for each sampling date varied from 86 to 105 percent of the injected mass, and the center of mass moved at a nearly constant horizontal velocity of 0.42 meters per day. The bromide cloud also moved downward about 4 meters, probably because of density-induced sinking and accretion of areal recharge from precipitation. After 200 meters of transport, the bromide cloud was more than 80 meters long but only 14 meters wide and 6 meters thick. The change in longitudinal dispersivity had reached a constant value (0.96 meters). The transverse horizontal and transverse vertical dispersivities were much smaller (1.8 centimeters and 1.5 millimeters, respectively) than the longitudinal value. The lithium and molybdate clouds followed the same path as the bromide cloud, but a significant amount of their mass was adsorbed onto the aquifer sediments, and their rates of movement were retarded about 50 percent relative to the bromide movement. (Author) (5 figs., 23 refs.)

  7. 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)

  8. Electrochemical analysis of coordination sphere of ruthenium(II) as an electron transport mediator in glucose oxidase catalysis in aqueous solutions

    International Nuclear Information System (INIS)

    Kurova, V.S.; Ryabov, A.D.; Ershov, A.Yu.

    2001-01-01

    The redox-potentials of the cis-[Ru(LL) 2 XY] n+ complexes (LL=2,2' bipyridil, 1,10 phenanthrolin and 4,4'-dimethyl-2,2-bipyridil; X, Y = Cl - , Br - , CO 3 2- , No 2 - , SCN - , H 2 O and methylsulfoxide) in water solutions are measured through the cyclic voltamperometry method. The linear dependence of the ruthenium complexes(II) measured redox-potentials on the ligand sphere is established. It is shown, that these complexes manifest the properties of the reversible or quasi-reversible redox-systems, the formal redox-potential values whereof are within the 0.2-0.5 V interval [ru

  9. 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

  10. 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

  11. 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…

  12. 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...

  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. 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

  15. 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

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. Engineering charge transport by heterostructuring solution-processed semiconductors

    Science.gov (United States)

    Voznyy, Oleksandr; Sutherland, Brandon R.; Ip, Alexander H.; Zhitomirsky, David; Sargent, Edward H.

    2017-06-01

    Solution-processed semiconductor devices are increasingly exploiting heterostructuring — an approach in which two or more materials with different energy landscapes are integrated into a composite system. Heterostructured materials offer an additional degree of freedom to control charge transport and recombination for more efficient optoelectronic devices. By exploiting energetic asymmetry, rationally engineered heterostructured materials can overcome weaknesses, augment strengths and introduce emergent physical phenomena that are otherwise inaccessible to single-material systems. These systems see benefit and application in two distinct branches of charge-carrier manipulation. First, they influence the balance between excitons and free charges to enhance electron extraction in solar cells and photodetectors. Second, they promote radiative recombination by spatially confining electrons and holes, which increases the quantum efficiency of light-emitting diodes. In this Review, we discuss advances in the design and composition of heterostructured materials, consider their implementation in semiconductor devices and examine unexplored paths for future advancement in the field.

  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. 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.

  3. 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

  4. 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...

  5. One-dimensional spatially dependent solute transport in semi ...

    African Journals Online (AJOL)

    Initially porous domain is considered solute free and the input source condition is ... parameters for description of solute transport in porous media. ... flow assuming uniform initial concentration with first and third type boundary conditions. Aral.

  6. A quasilinear model for solute transport under unsaturated flow

    International Nuclear Information System (INIS)

    Houseworth, J.E.; Leem, J.

    2009-01-01

    We developed an analytical solution for solute transport under steady-state, two-dimensional, unsaturated flow and transport conditions for the investigation of high-level radioactive waste disposal. The two-dimensional, unsaturated flow problem is treated using the quasilinear flow method for a system with homogeneous material properties. Dispersion is modeled as isotropic and is proportional to the effective hydraulic conductivity. This leads to a quasilinear form for the transport problem in terms of a scalar potential that is analogous to the Kirchhoff potential for quasilinear flow. The solutions for both flow and transport scalar potentials take the form of Fourier series. The particular solution given here is for two sources of flow, with one source containing a dissolved solute. The solution method may easily be extended, however, for any combination of flow and solute sources under steady-state conditions. The analytical results for multidimensional solute transport problems, which previously could only be solved numerically, also offer an additional way to benchmark numerical solutions. An analytical solution for two-dimensional, steady-state solute transport under unsaturated flow conditions is presented. A specific case with two sources is solved but may be generalized to any combination of sources. The analytical results complement numerical solutions, which were previously required to solve this class of problems.

  7. 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.

  8. Filamentous bacteria transport electrons over centimetre distances

    DEFF Research Database (Denmark)

    Pfeffer, Christian; Larsen, Steffen; Song, Jie

    2012-01-01

    across centimetre-wide zones. Here we present evidence that the native conductors are long, filamentous bacteria. They abounded in sediment zones with electric currents and along their length they contained strings with distinct properties in accordance with a function as electron transporters. Living...

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Stochastic dynamics modeling solute transport in porous media modeling solute transport in porous media

    CERN Document Server

    Kulasiri, Don

    2002-01-01

    Most of the natural and biological phenomena such as solute transport in porous media exhibit variability which can not be modeled by using deterministic approaches. There is evidence in natural phenomena to suggest that some of the observations can not be explained by using the models which give deterministic solutions. Stochastic processes have a rich repository of objects which can be used to express the randomness inherent in the system and the evolution of the system over time. The attractiveness of the stochastic differential equations (SDE) and stochastic partial differential equations (SPDE) come from the fact that we can integrate the variability of the system along with the scientific knowledge pertaining to the system. One of the aims of this book is to explaim some useufl concepts in stochastic dynamics so that the scientists and engineers with a background in undergraduate differential calculus could appreciate the applicability and appropriateness of these developments in mathematics. The ideas ...

  14. 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.

  15. 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

  16. 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.

  17. Transport of Liquid Phase Organic Solutes in Liquid Crystalline Membranes

    OpenAIRE

    Han, Sangil

    2010-01-01

    Porous cellulose nitrate membranes were impregnated with 8CB and PCH5 LCs (liquid crystals) and separations of solutes dissolved in aqueous phases were performed while monitoring solute concentration via UV-VIS spectrometry. The diffusing organic solutes, which consist of one aromatic ring and various functional groups, were selected to exclude molecular size effects on the diffusion and sorption. We studied the effects on solute transport of solute intra-molecular hydrogen bonding and so...

  18. 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)

  19. Modelling multicomponent solute transport in structured soils

    NARCIS (Netherlands)

    Beinum, van G.W.

    2007-01-01

    The mobility of contaminants in soil is an important factor in determining their ability to spread into the wider environment. For non-volatile substances, transport within the soil is generally dominated by transport of dissolved fractions in the soil water phase, via either diffusion or

  20. 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.

  1. 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.

  2. Equilibrium and nonequilibrium solvation and solute electronic structure

    International Nuclear Information System (INIS)

    Kim, H.J.; Hynes, J.T.

    1990-01-01

    When a molecular solute is immersed in a polar and polarizable solvent, the electronic wave function of the solute system is altered compared to its vacuum value; the solute electronic structure is thus solvent-dependent. Further, the wave function will be altered depending upon whether the polarization of the solvent is or is not in equilibrium with the solute charge distribution. More precisely, while the solvent electronic polarization should be in equilibrium with the solute electronic wave function, the much more sluggish solvent orientational polarization need not be. We call this last situation non-equilibrium solvation. We outline a nonlinear Schroedinger equation approach to these issues

  3. 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

  4. 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.

  5. 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

  6. 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

  7. 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

  8. 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.

  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. A Mathematical Model of Solute Coupled Water Transport in Toad Intestine Incorporating Recirculation of the Actively Transported Solute

    DEFF Research Database (Denmark)

    Larsen, Erik Hviid; Sørensen, Jakob Balslev; Sørensen, Jens Nørkær

    2000-01-01

    those of tight junction and interspace basement membrane by convection-diffusion. With solute permeability of paracellular pathway large relative to paracellular water flow, the paracellular flux ratio of the solute (influx/outflux) is small (2-4) in agreement with experiments. The virtual solute......A mathematical model of an absorbing leaky epithelium is developed for analysis of solute coupled water transport. The non-charged driving solute diffuses into cells and is pumped from cells into the lateral intercellular space (lis). All membranes contain water channels with the solute passing...... increases with hydraulic conductance of the pathway carrying water from mucosal solution into lis. Uphill water transport is accomplished, but with high hydraulic conductance of cell membranes strength of transport is obscured by water flow through cells. Anomalous solvent drag occurs when back flux...

  12. Transport of Organic Solutes in Clay Formations

    Science.gov (United States)

    The research is a pilot investigation for the SERDP (Strategic Environmental Research and Development Program, DoD) founded project, Impact of Clay-DNAPL Interactions on Transport and Storage of Chlorinated Solvents in Low Permeability Zones, from 2010-2012. The report tries to s...

  13. 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...

  14. A variational solution of transport equation based on spherical geometry

    International Nuclear Information System (INIS)

    Liu Hui; Zhang Ben'ai

    2002-01-01

    A variational method with differential forms gives better precision for numerical solution of transport critical problem based on spherical geometry, and its computation seems simple than other approximate methods

  15. 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.

  16. Mathematical modeling of fluid and solute transport in peritoneal dialysis

    OpenAIRE

    Waniewski, Jacek

    2001-01-01

    Optimization of peritoneal dialysis schedule and dialysis fluid composition needs, among others, methods for quantitative assessment of fluid and solute transport. Furthermore, an integrative quantitative description of physiological processes within the tissue, which contribute to the net transfer of fluid and solutes, is necessary for interpretation of the data and for predictions of the outcome of possible intervention into the peritoneal transport system. The current pro...

  17. Mathematical modeling of solute transport in the subsurface

    International Nuclear Information System (INIS)

    Naymik, T.G.

    1987-01-01

    A review of key works on solute transport models indicates that solute transport processes with the exception of advection are still poorly understood. Solute transport models generally do a good job when they are used to test scientific concepts and hypotheses, investigate natural processes, systematically store and manage data, and simulate mass balance of solutes under certain natural conditions. Solute transport models generally are not good for predicting future conditions with a high degree of certainty, or for determining concentrations precisely. The mathematical treatment of solute transport far surpasses their understanding of the process. Investigations of the extent of groundwater contamination and methods to remedy existing problems show the along-term nature of the hazard. Industrial organic compounds may be immiscible in water, highly volatile, or complexed with inorganic as well as other organic compounds; many remain stable in nature almost indefinitely. In the worst case, future disposal of hazardous waste may be restricted to deep burial, as is proposed for radioactive wastes. For investigations pertinent to transport of radionuclides from a geologic repository, the process cannot be fully understood without adequate thermodynamic and kinetic data bases

  18. 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.

  19. 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

  20. 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.

  1. 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)

  2. 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

  3. 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.

  4. Solute transport across the articular surface of injured cartilage.

    Science.gov (United States)

    Chin, Hooi Chuan; Moeini, Mohammad; Quinn, Thomas M

    2013-07-15

    Solute transport through extracellular matrix (ECM) is important to physiology and contrast agent-based clinical imaging of articular cartilage. Mechanical injury is likely to have important effects on solute transport since it involves alteration of ECM structure. Therefore it is of interest to characterize effects of mechanical injury on solute transport in cartilage. Using cartilage explants injured by an established mechanical compression protocol, effective partition coefficients and diffusivities of solutes for transport across the articular surface were measured. A range of fluorescent solutes (fluorescein isothiocyanate, 4 and 40kDa dextrans, insulin, and chondroitin sulfate) and an X-ray contrast agent (sodium iodide) were used. Mechanical injury was associated with a significant increase in effective diffusivity versus uninjured explants for all solutes studied. On the other hand, mechanical injury had no effects on effective partition coefficients for most solutes tested, except for 40kDa dextran and chondroitin sulfate where small but significant changes in effective partition coefficient were observed in injured explants. Findings highlight enhanced diffusive transport across the articular surface of injured cartilage, which may have important implications for injury and repair situations. Results also support development of non-equilibrium methods for identification of focal cartilage lesions by contrast agent-based clinical imaging. Copyright © 2013 Elsevier Inc. All rights reserved.

  5. 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)

  6. dispersion equation parameters of solute transport in agricultural

    African Journals Online (AJOL)

    Jane

    2011-08-31

    Aug 31, 2011 ... fields for predicting soil quality property. Key words: ... The classical approach of modeling solute transport in porous media uses the deterministic ... concentration of the solution in the liquid phase, u0 is the mean velocity and ...

  7. Temporal moment analysis of solute transport in a coupled fracture ...

    Indian Academy of Sciences (India)

    by considering an inlet boundary condition of constant continuous source in a single fracture. The effect of various fracture-skin parameters like porosity, thickness and ... Study on fluid flow and transport of solute through fractures has been an .... of solutes is happening normal to the direction of flow due to the free molecular.

  8. Business-to-business electronic commerce systems and services. Smart EC solution; Kigyoka nrenkei system solution system. Smart EC solution

    Energy Technology Data Exchange (ETDEWEB)

    Setoguchi, T.; Manchu, Y.; Katsumata, M. [Toshiba Corp., Tokyo (Japan)

    2000-04-01

    Toshiba provides a range of information technology (IT) solutions called SmartEC Solution, which includes business-to-business electronic commerce systems and services based on international standards and industrial know-how, especially our electronic data interchange (EDI) know-how as a manufacturer. These IT solutions are supplied as services covering strategy planning, system integration, and application service provider based on five types of business-to-business electronic commerce. (author)

  9. Sustainable freight transport in South Africa:Domestic intermodal solutions

    Directory of Open Access Journals (Sweden)

    Jan H. Havenga

    2011-11-01

    Full Text Available Due to the rapid deregulation of freight transport in South Africa two decades ago, and low historical investment in rail (with resultant poor service delivery, an integrated alternative to road and rail competition was never developed. High national freight logistics costs, significant road infrastructure challenges and environmental impact concerns of a road-dominated freight transport market have, however, fuelled renewed interest in intermodal transport solutions. In this article, a high-level business case for domestic intermodal solutions in South Africa is presented. The results demonstrate that building three intermodal terminals to connect the three major industrial hubs (i.e. Gauteng, Durban and Cape Town through an intermodal solution could reduce transport costs (including externalities for the identified 11.5 million tons of intermodalfriendly freight flows on the Cape and Natal corridors by 42% (including externalities.

  10. Determination of chemical solute transport parameters effecting radiostrontium interbed sediments

    International Nuclear Information System (INIS)

    Hemming, C.; Bunde, R.L.; Rosentreter, J.J.

    1993-01-01

    The extent to which radionuclides migrate in an aquifer system is a function of various physical, chemical, and biological processes. A measure of this migration rate is of primary concern when locating suitable storage sites for such species. Parameters including water-rock interactions, infiltration rates, chemical phase modification, and biochemical reactions all affect solute transport. While these different types of chemical reactions can influence solute transport in subsurface waters, distribution coefficients (Kd) can be send to effectively summarize the net chemical factors which dictate transport efficiency. This coefficient describes the partitioning of the solute between the solution and solid phase. Methodology used in determining and interpreting the distribution coefficient for radiostrontium in well characterized sediments will be presented

  11. A compartmentalized solute transport model for redox zones in contaminated aquifers: 1. Theory and development

    Science.gov (United States)

    Abrams , Robert H.; Loague, Keith

    2000-01-01

    This paper, the first of two parts [see Abrams and Loague, this issue], takes the compartmentalized approach for the geochemical evolution of redox zones presented by Abrams et al. [1998] and embeds it within a solute transport framework. In this paper the compartmentalized approach is generalized to facilitate the description of its incorporation into a solute transport simulator. An equivalent formulation is developed which removes any discontinuities that may occur when switching compartments. Rate‐limited redox reactions are modeled with a modified Monod relationship that allows either the organic substrate or the electron acceptor to be the rate‐limiting reactant. Thermodynamic constraints are used to inhibit lower‐energy redox reactions from occurring under infeasible geochemical conditions without imposing equilibrium on the lower‐energy reactions. The procedure used allows any redox reaction to be simulated as being kinetically limited or thermodynamically limited, depending on local geochemical conditions. Empirical reaction inhibition methods are not needed. The sequential iteration approach (SIA), a technique which allows the number of solute transport equations to be reduced, is adopted to solve the coupled geochemical/solute transport problem. When the compartmentalized approach is embedded within the SIA, with the total analytical concentration of each component as the dependent variable in the transport equation, it is possible to reduce the number of transport equations even further than with the unmodified SIA. A one‐dimensional, coupled geochemical/solute transport simulation is presented in which redox zones evolve dynamically in time and space. The compartmentalized solute transport (COMPTRAN) model described in this paper enables the development of redox zones to be simulated under both kinetic and thermodynamic constraints. The modular design of COMPTRAN facilitates the use of many different, preexisting solute transport and

  12. A solution-processed binary cathode interfacial layer facilitates electron extraction for inverted polymer solar cells.

    Science.gov (United States)

    Zhang, Xinyuan; Li, Zhiqi; Liu, Chunyu; Guo, Jiaxin; Shen, Liang; Guo, Wenbin

    2018-03-15

    The charge transfer and separation are significantly affected by the electron properties of the interface between the electron-donor layer and the carrier-transporting layer in polymer solar cells (PSCs). In this study, we investigate the electron extraction mechanism of PSCs with a low temperature solution-processed ZnO/PEI as electron transport layer. The incorporation of PEI layer can decrease the work function of ZnO and reduce interfacial barrier, which facilitates electron extraction and suppresses bimolecular recombination, leading to a significant performance enhancement. Furthermore, PEI layer can induce phase separation and passivite inorganic surface trap states as well as shift the interfacial energy offset between metal oxide and organic materials. This work offers a simple and effective way to improve the charge transporting property of organic photovoltaic devices. Copyright © 2017 Elsevier Inc. All rights reserved.

  13. Semianalytical Solutions of Radioactive or Reactive Transport in Variably-Fractured Layered Media: 1. Solutes

    International Nuclear Information System (INIS)

    George J. Moridis

    2001-01-01

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive solute tracers through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the non-flowing matrix account for (a) diffusion, (b) surface diffusion, (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first-order chemical reactions. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of 3 H, 237 Np and 239 Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity

  14. End-Member Formulation of Solid Solutions and Reactive Transport

    Energy Technology Data Exchange (ETDEWEB)

    Lichtner, Peter C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-09-01

    A model for incorporating solid solutions into reactive transport equations is presented based on an end-member representation. Reactive transport equations are solved directly for the composition and bulk concentration of the solid solution. Reactions of a solid solution with an aqueous solution are formulated in terms of an overall stoichiometric reaction corresponding to a time-varying composition and exchange reactions, equivalent to reaction end-members. Reaction rates are treated kinetically using a transition state rate law for the overall reaction and a pseudo-kinetic rate law for exchange reactions. The composition of the solid solution at the onset of precipitation is assumed to correspond to the least soluble composition, equivalent to the composition at equilibrium. The stoichiometric saturation determines if the solid solution is super-saturated with respect to the aqueous solution. The method is implemented for a simple prototype batch reactor using Mathematica for a binary solid solution. Finally, the sensitivity of the results on the kinetic rate constant for a binary solid solution is investigated for reaction of an initially stoichiometric solid phase with an undersaturated aqueous solution.

  15. Coupling between solute transport and chemical reactions models

    International Nuclear Information System (INIS)

    Samper, J.; Ajora, C.

    1993-01-01

    During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs

  16. Fluid transport with time on peritoneal dialysis: the contribution of free water transport and solute coupled water transport

    NARCIS (Netherlands)

    Coester, Annemieke M.; Smit, Watske; Struijk, Dirk G.; Krediet, Raymond T.

    2009-01-01

    Ultrafiltration in peritoneal dialysis occurs through endothelial water channels (free water transport) and together with solutes across small pores: solute coupled water transport. A review is given of cross-sectional studies and on the results of longitudinal follow-up

  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. 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

  20. 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.

  1. Heterojunction oxide thin-film transistors with unprecedented electron mobility grown from solution

    KAUST Repository

    Faber, Hendrik; Das, Satyajit; Lin, Yen-Hung; Pliatsikas, Nikos; Zhao, Kui; Kehagias, Thomas; Dimitrakopulos, George; Amassian, Aram; Patsalas, Panos A.; Anthopoulos, Thomas D.

    2017-01-01

    with the extrinsic electron transport properties of the often defect-prone oxides. We overcome this limitation by replacing the single-layer semiconductor channel with a low-dimensional, solution-grown In2O3/ZnO heterojunction. We find that In2O3/ZnO transistors

  2. 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

  3. Analytical solution to the hybrid diffusion-transport equation

    International Nuclear Information System (INIS)

    Nanneh, M.M.; Williams, M.M.R.

    1986-01-01

    A special integral equation was derived in previous work using a hybrid diffusion-transport theory method for calculating the flux distribution in slab lattices. In this paper an analytical solution of this equation has been carried out on a finite reactor lattice. The analytical results of disadvantage factors are shown to be accurate in comparison with the numerical results and accurate transport theory calculations. (author)

  4. 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

  5. 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

  6. 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

  7. Composite Transport Model and Water and Solute Transport across Plant Roots: An Update

    Directory of Open Access Journals (Sweden)

    Yangmin X. Kim

    2018-02-01

    Full Text Available The present review examines recent experimental findings in root transport phenomena in terms of the composite transport model (CTM. It has been a well-accepted conceptual model to explain the complex water and solute flows across the root that has been related to the composite anatomical structure. There are three parallel pathways involved in the transport of water and solutes in roots – apoplast, symplast, and transcellular paths. The role of aquaporins (AQPs, which facilitate water flows through the transcellular path, and root apoplast is examined in terms of the CTM. The contribution of the plasma membrane bound AQPs for the overall water transport in the whole plant level was varying depending on the plant species, age of roots with varying developmental stages of apoplastic barriers, and driving forces (hydrostatic vs. osmotic. Many studies have demonstrated that the apoplastic barriers, such as Casparian bands in the primary anticlinal walls and suberin lamellae in the secondary cell walls, in the endo- and exodermis are not perfect barriers and unable to completely block the transport of water and some solute transport into the stele. Recent research on water and solute transport of roots with and without exodermis triggered the importance of the extension of conventional CTM adding resistances that arrange in series (epidermis, exodermis, mid-cortex, endodermis, and pericycle. The extension of the model may answer current questions about the applicability of CTM for composite water and solute transport of roots that contain complex anatomical structures with heterogeneous cell layers.

  8. Composite Transport Model and Water and Solute Transport across Plant Roots: An Update.

    Science.gov (United States)

    Kim, Yangmin X; Ranathunge, Kosala; Lee, Seulbi; Lee, Yejin; Lee, Deogbae; Sung, Jwakyung

    2018-01-01

    The present review examines recent experimental findings in root transport phenomena in terms of the composite transport model (CTM). It has been a well-accepted conceptual model to explain the complex water and solute flows across the root that has been related to the composite anatomical structure. There are three parallel pathways involved in the transport of water and solutes in roots - apoplast, symplast, and transcellular paths. The role of aquaporins (AQPs), which facilitate water flows through the transcellular path, and root apoplast is examined in terms of the CTM. The contribution of the plasma membrane bound AQPs for the overall water transport in the whole plant level was varying depending on the plant species, age of roots with varying developmental stages of apoplastic barriers, and driving forces (hydrostatic vs. osmotic). Many studies have demonstrated that the apoplastic barriers, such as Casparian bands in the primary anticlinal walls and suberin lamellae in the secondary cell walls, in the endo- and exodermis are not perfect barriers and unable to completely block the transport of water and some solute transport into the stele. Recent research on water and solute transport of roots with and without exodermis triggered the importance of the extension of conventional CTM adding resistances that arrange in series (epidermis, exodermis, mid-cortex, endodermis, and pericycle). The extension of the model may answer current questions about the applicability of CTM for composite water and solute transport of roots that contain complex anatomical structures with heterogeneous cell layers.

  9. Nonrelativistic grey Sn-transport radiative-shock solutions

    International Nuclear Information System (INIS)

    Ferguson, J. M.; Morel, J. E.; Lowrie, R. B.

    2017-01-01

    We present semi-analytic radiative-shock solutions in which grey Sn-transport is used to model the radiation, and we include both constant cross sections and cross sections that depend on temperature and density. These new solutions solve for a variable Eddington factor (VEF) across the shock domain, which allows for interesting physics not seen before in radiative-shock solutions. Comparisons are made with the grey nonequilibrium-diffusion radiative-shock solutions of Lowrie and Edwards [1], which assumed that the Eddington factor is constant across the shock domain. It is our experience that the local Mach number is monotonic when producing nonequilibrium-diffusion solutions, but that this monotonicity may disappear while integrating the precursor region to produce Sn-transport solutions. For temperature- and density-dependent cross sections we show evidence of a spike in the VEF in the far upstream portion of the radiative-shock precursor. We show evidence of an adaptation zone in the precursor region, adjacent to the embedded hydrodynamic shock, as conjectured by Drake [2, 3], and also confirm his expectation that the precursor temperatures adjacent to the Zel’dovich spike take values that are greater than the downstream post-shock equilibrium temperature. We also show evidence that the radiation energy density can be nonmonotonic under the Zel’dovich spike, which is indicative of anti-diffusive radiation flow as predicted by McClarren and Drake [4]. We compare the angle dependence of the radiation flow for the Sn-transport and nonequilibriumdiffusion radiation solutions, and show that there are considerable differences in the radiation flow between these models across the shock structure. Lastly, we analyze the radiation flow to understand the cause of the adaptation zone, as well as the structure of the Sn-transport radiation-intensity solutions across the shock structure.

  10. New numerical method for solving the solute transport equation

    International Nuclear Information System (INIS)

    Ross, B.; Koplik, C.M.

    1978-01-01

    The solute transport equation can be solved numerically by approximating the water flow field by a network of stream tubes and using a Green's function solution within each stream tube. Compared to previous methods, this approach permits greater computational efficiency and easier representation of small discontinuities, and the results are easier to interpret physically. The method has been used to study hypothetical sites for disposal of high-level radioactive waste

  11. Efficient solution of a multi objective fuzzy transportation problem

    Science.gov (United States)

    Vidhya, V.; Ganesan, K.

    2018-04-01

    In this paper we present a methodology for the solution of multi-objective fuzzy transportation problem when all the cost and time coefficients are trapezoidal fuzzy numbers and the supply and demand are crisp numbers. Using a new fuzzy arithmetic on parametric form of trapezoidal fuzzy numbers and a new ranking method all efficient solutions are obtained. The proposed method is illustrated with an example.

  12. Peritoneal fluid transport in CAPD patients with different transport rates of small solutes.

    Science.gov (United States)

    Sobiecka, Danuta; Waniewski, Jacek; Weryński, Andrzej; Lindholm, Bengt

    2004-01-01

    Continuous ambulatory peritoneal dialysis (CAPD) patients with high peritoneal solute transport rate often have inadequate peritoneal fluid transport. It is not known whether this inadequate fluid transport is due solely to a too rapid fall of osmotic pressure, or if the decreased effectiveness of fluid transport is also a contributing factor. To analyze fluid transport parameters and the effectiveness of dialysis fluid osmotic pressure in the induction of fluid flow in CAPD patients with different small solute transport rates. 44 CAPD patients were placed in low (n = 6), low-average (n = 13), high-average (n = 19), and high (n = 6) transport groups according to a modified peritoneal equilibration test (PET). The study involved a 6-hour peritoneal dialysis dwell with 2 L 3.86% glucose dialysis fluid for each patient. Radioisotopically labeled serum albumin was added as a volume marker.The fluid transport parameters (osmotic conductance and fluid absorption rate) were estimated using three mathematical models of fluid transport: (1) Pyle model (model P), which describes ultrafiltration rate as an exponential function of time; (2) model OS, which is based on the linear relationship of ultrafiltration rate and overall osmolality gradient between dialysis fluid and blood; and (3) model G, which is based on the linear relationship between ultrafiltration rate and glucose concentration gradient between dialysis fluid and blood. Diffusive mass transport coefficients (K(BD)) for glucose, urea, creatinine, potassium, and sodium were estimated using the modified Babb-Randerson-Farrell model. The high transport group had significantly lower dialysate volume and glucose and osmolality gradients between dialysate and blood, but significantly higher K(BD) for small solutes compared with the other transport groups. Osmotic conductance, fluid absorption rate, and initial ultrafiltration rate did not differ among the transport groups for model OS and model P. Model G yielded

  13. 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

  14. Green transportation logistics: the quest for win-win solutions

    DEFF Research Database (Denmark)

    measures and speed and route optimization; Sulphur emissions; Lifecycle emissions; Green rail transportation; Green air transportation; Green inland navigation and possible areas for further research. Throughout, the book pursues the goal of “win-win” solutions and analyzes the phenomenon of “push......This book examines the state of the art in green transportation logistics from the perspective of balancing environmental performance in the transportation supply chain while also satisfying traditional economic performance criteria. Part of the book is drawn from the recently completed European...... Union project Super Green, a three-year project intended to promote the development of European freight corridors in an environmentally friendly manner. Additional chapters cover both the methodological base and the application context of green transportation logistics. Individual chapters look...

  15. Solute transport in aggregated and layered porous media

    International Nuclear Information System (INIS)

    Koch, S.

    1993-01-01

    This work is a contribution to research in soil physics dealing with solute transport in porous media. The influence of structural inhomogeneities on solute transport is investigated. Detailed experiments at the laboratory scale are used to enlighten distinct processes which cannot be studied separately at field scale. Two main aspects are followed up: (i) to show the influence of aggregation of a porous medium on breakthrough time and spreading of an inert tracer and consequences on the estimation of parameter values of models describing solute transport in aggregated systems, (ii) to investigate the influences on the dispersion process when stratification is perpendicular to the direction of flow. Several concepts of modelling solute transport in soil are discussed. Models based on the convection-dispersion equation (CDE) are emphasized because they are used here to model solute transport experiments conducted with aggregated porous media. Stochastic concepts are introduced to show the limitations of the deterministic CDE approaches. Experiments are done in columns containing two kinds of solid phases and were saturated with water. The solid phases are porous and solid glass beads exhibiting a distinctly unimodal or bimodal pore size distribution. Experimental breakthrough curves (BTCs) are modelled with the CDE, a bicontinuum model with a phenomenological mass transfer rate and a bicontinuum spherical diffusion model. Experiments are also done in columns that are unsaturated containing porous materials that are layered. Flow is made at a steady rate. It is shown that layer boundaries have a severe influence on lateral mixing. They may force streamlines to converge or cause a lateral redistribution of solutes. (author) figs., tabs., 122 refs

  16. The future of public transport in light of solutions for sustainable transport development

    Directory of Open Access Journals (Sweden)

    Kazimierz LEJDA

    2017-06-01

    Full Text Available The paper highlights possible directions in the development of sustainable public transport solutions. When appropriately identified and implemented, such solutions can contribute to improved quality of urban life by reducing the adverse effects of transport on human health and the natural environment. The paper also raises questions about implementing pedestrian traffic zones, expanding the level of cycling, and introducing a workable parking policy, congestion charges, electromobility and intelligent systems for road traffic management in conurbations.

  17. Transport-constrained extensions of collision and track length estimators for solutions of radiative transport problems

    International Nuclear Information System (INIS)

    Kong, Rong; Spanier, Jerome

    2013-01-01

    In this paper we develop novel extensions of collision and track length estimators for the complete space-angle solutions of radiative transport problems. We derive the relevant equations, prove that our new estimators are unbiased, and compare their performance with that of more conventional estimators. Such comparisons based on numerical solutions of simple one dimensional slab problems indicate the the potential superiority of the new estimators for a wide variety of more general transport problems

  18. 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

  19. Transparent and Highly Responsive Phototransistors Based on a Solution-Processed, Nanometers-Thick Active Layer, Embedding a High-Mobility Electron-Transporting Polymer and a Hole-Trapping Molecule.

    Science.gov (United States)

    Caranzi, Lorenzo; Pace, Giuseppina; Sassi, Mauro; Beverina, Luca; Caironi, Mario

    2017-08-30

    Organic materials are suitable for light sensing devices showing unique features such as low cost, large area, and flexibility. Moreover, transparent photodetectors are interesting for smart interfaces, windows, and display-integrated electronics. The ease of depositing ultrathin organic films with simple techniques enables low light absorbing active layers, resulting in the realization of transparent devices. Here, we demonstrate a strategy to obtain high efficiency organic photodetectors and phototransistors based on transparent active layers with a visible transmittance higher than 90%. The photoactive layer is composed of two phases, each a few nanometers thick. First, an acceptor polymer, which is a good electron-transporting material, on top of which a small molecule donor material is deposited, forming noncontinuous domains. The small molecule phase acts as a trap for holes, thus inducing a high photoconductive gain, resulting in a high photoresponsivity. The organic transparent detectors proposed here can reach very high external quantum efficiency and responsivity values, which in the case of the phototransistors can be as high as ∼74000% and 340 A W -1 at 570 nm respectively, despite an absorber total thickness below 10 nm. Moreover, frequency dependent 2D photocurrent mapping allows discrimination between the contribution of a fast but inefficient and highly spatially localized photoinduced injection mechanism at the electrodes, and the onset of a slower and spatially extended photoconductive process, leading to high responsivity.

  20. 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.

  1. Scaling and predicting solute transport processes in streams

    Science.gov (United States)

    R. González-Pinzón; R. Haggerty; M. Dentz

    2013-01-01

    We investigated scaling of conservative solute transport using temporal moment analysis of 98 tracer experiments (384 breakthrough curves) conducted in 44 streams located on five continents. The experiments span 7 orders of magnitude in discharge (10-3 to 103 m3/s), span 5 orders of magnitude in...

  2. GRRR. The EXPECT groundwater model for transport of solutes

    NARCIS (Netherlands)

    Meijers R; Sauter FJ; Veling EJM; van Grinsven JJM; Leijnse A; Uffink GJM; MTV; CWM; LBG

    1994-01-01

    In this report the design and first test results are presented of the EXPECT groundwater module for transport of solutes GRRR (GRoundwater source Receptor Relationships). This model is one of the abiotic compartment modules of the EXPECT model. The EXPECT model is a tool for scenario development

  3. Solute transport modelling with the variable temporally dependent ...

    Indian Academy of Sciences (India)

    Pintu Das

    2018-02-07

    Feb 7, 2018 ... in a finite domain with time-dependent sources and dis- tance-dependent dispersivities. Also, existing ... solute transport in multi-layered porous media using gen- eralized integral transform technique with .... methods for solving the fractional reaction-–sub-diffusion equation. To solve numerically the Eqs.

  4. Influence of solution pH on the electron transport of the self-assembled nanoarrays of single-walled carbon nanotube-cobalt tetra-aminophthalocyanine on gold electrodes: Electrocatalytic detection of epinephrine

    Energy Technology Data Exchange (ETDEWEB)

    Ozoemena, Kenneth I. [Chemistry Department, University of Pretoria, Pretoria 0002 (South Africa)], E-mail: kenneth.ozoemena@up.ac.za; Nkosi, Dudu; Pillay, Jeseelan [Chemistry Department, University of Pretoria, Pretoria 0002 (South Africa)

    2008-02-15

    This paper provides first evidence of the impact of solution pH on the heterogeneous electron transfer rate constants of self-assembled films of single-walled carbon nanotubes (SWCNT) and SWCNT integrated to cobalt(II)tetra-aminophthalocyanine (SWCNT-CoTAPc) by sequential self-assembly. Using cyclic voltammetry and electrochemical impedance spectroscopy, we proved that both SAMs exhibit notable differences in their response to different buffered solution pH, with and without the presence of redox probe, [Fe(CN){sub 6}]{sup 4-}/[Fe(CN){sub 6}]{sup 3-}. Surface pK{sub a} value for the Au-Cys-SWCNT-CoTAPc was estimated as ca. 7.8, compared to that of the Au-Cys-SWCNT of about 5.5. Interestingly, both redox-active SAMs gave similar analytical response for epinephrine, giving well-resolved square wave voltammograms, with linear concentration range up to 130 {mu}M, sensitivity of ca. 9.4 x 10{sup -3} AM{sup -1}, and limit of detection ca. 6 {mu}M. This analytical result implies that there is no detectable advantage of one of the SAMs over the other in the electrocatalytic detection of this neurotransmitter.

  5. 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.

  6. 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

  7. 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.

  8. Win-Win transportation solutions price reforms with multiple benefits

    International Nuclear Information System (INIS)

    Litman, T.

    2001-01-01

    Reform strategies in the transportation market, such as the Win-Win Transportation Solutions, can provide several economic, social and environmental benefits. The strategies are cost effective, technically feasible reforms based on market principles which help create a more equitable and efficient transportation system that supports sustainable economic development. The benefits they provide include reduced traffic congestion, road and parking facility savings, consumer savings, equity, safety and environmental protection. They also increase economic productivity. If fully implemented, they could reduce motor vehicle impacts by 15 to 30 per cent and could help achieve the Kyoto emission reduction targets. Examples of Win-Win strategies at the federal level include: (1) removal of subsidies to oil production and internalized costs, and (2) tax exempt employer provided transfer benefits. Examples of Win-Win strategies at the state/provincial level include: (1) distance-based vehicle insurance and registration fees, (2) least-coast transportation planning and funding, (3) revenue-neutral tax shifting, (4) road pricing, (5) reform motor carrier regulations for competition and efficiency, (6) local and regional transportation demand management programs, (7) more efficient land use, (8) more flexible zoning requirements, (9) parking cash out, (10) transportation management associations, (11) location-efficient housing and mortgages, (12) school and campus trip management, (13) car sharing, (14) non-motorized transport improvements, and (15) traffic calming. It was noted that any market reform that leads to more efficient use of existing transportation systems can provide better economic development benefits. 9 refs., 1 tab., 1 fig

  9. Study of the electron heat transport in Tore-Supra tokamak

    International Nuclear Information System (INIS)

    Harauchamps, E.

    2004-01-01

    This work presents analytical solutions to the electron heat transport equation involving a damping term and a convection term in a cylindrical geometry. These solutions, processed by Matlab, allow the determination of the evolution of the radial profile of electron temperature in tokamaks during heating. The modulated injection of waves around the electron cyclotron frequency is an efficient tool to study heat transport experimentally in tokamaks. The comparison of these analytical solutions with experimental results from Tore-Supra during 2 discharges (30550 and 31165) shows the presence of a sudden change for the diffusion and damping coefficients. The hypothesis of the presence of a pinch spread all along the plasma might explain the shape of the experimental temperature profiles. These analytical solutions could be used to determine the time evolution of plasma density as well or of any parameter whose evolution is governed by a diffusion-convection equation. (A.C.)

  10. Numerical solution of the transport equation describing the radon transport from subsurface soil to buildings

    International Nuclear Information System (INIS)

    Savovic, S.; Djordjevich, A.; Ristic, G.

    2012-01-01

    A theoretical evaluation of the properties and processes affecting the radon transport from subsurface soil into buildings is presented in this work. The solution of the relevant transport equation is obtained using the explicit finite difference method (EFDM). Results are compared with analytical steady-state solution reported in the literature. Good agreement is found. It is shown that EFDM is effective and accurate for solving the equation that describes radon diffusion, advection and decay during its transport from subsurface to buildings, which is especially important when arbitrary initial and boundary conditions are required. (authors)

  11. Transport of organic solutes through amorphous teflon AF films.

    Science.gov (United States)

    Zhao, Hong; Zhang, Jie; Wu, Nianqiang; Zhang, Xu; Crowley, Katie; Weber, Stephen G

    2005-11-02

    Fluorous media have great potential for selective extraction (e.g., as applied to organic synthesis). Fluorous polymer films would have significant advantages in fluorous separations. Stable films of Teflon AF 2400 were cast from solution. Films appear defect-free (SEM; AFM). Rigid aromatic solutes are transported (from chloroform solution to chloroform receiving phase) in a size-dependent manner (log permeability is proportional to -0.0067 times critical volume). Benzene's permeability is about 2 orders of magnitude higher than in comparable gas-phase experiments. The films show selectivity for fluorinated solutes in comparison to the hydrogen-containing control. Transport rates are dependent on the solvent making up the source and receiving phases. The effect of solvent is, interestingly, not due to changes in partition ratio, but rather it is due to changes in the solute diffusion coefficient in the film. Solvents plasticize the films. A less volatile compound, -COOH-terminated poly(hexafluoropropylene oxide) (4), plasticizes the films (T(g) = -40 degrees C). Permeabilities are decreased in comparison to 4-free films apparently because of decreased diffusivity of solutes. The slope of dependence of log permeability on critical volume is not changed, however.

  12. Solute transport model for radioisotopes in layered soil

    International Nuclear Information System (INIS)

    Essel, P.

    2010-01-01

    The study considered the transport of a radioactive solute in solution from the surface of the earth down through the soil to the ground water when there is an accidental or intentional spillage of a radioactive material on the surface. The finite difference method was used to model the spatial and temporal profile of moisture content in a soil column using the θ-based Richard's equation leading to solution of the convective-dispersive equation for non-adsorbing solutes numerically. A matlab code has been generated to predict the transport of the radioactive contaminant, spilled on the surface of a vertically heterogeneous soil made up of two layers to determine the residence time of the solute in the unsaturated zone, the time it takes the contaminant to reach the groundwater and the amount of the solute entering the groundwater in various times and the levels of pollution in those times. The model predicted that, then there is a spillage of 7.2g of tritium, on the surface of the ground at the study area, it will take two years for the radionuclide to enter the groundwater and fifteen years to totally leave the unsaturated zone. There is therefore the need to try as much as possible to avoid intentional or accidental spillage of the radionuclide since it has long term effect. (au)

  13. 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)

  14. 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)

  15. Simulation of transportation of low enriched uranium solutions

    International Nuclear Information System (INIS)

    Hope, E.P.; Ades, M.J.

    1996-01-01

    A simulation of the transportation by truck of low enriched uranium solutions has been completed for NEPA purposes at the Savannah River Site. The analysis involves three distinct source terms, and establishes the radiological risks of shipment to three possible destinations. Additionally, loading accidents were analyzed to determine the radiological consequences of mishaps during handling and delivery. Source terms were developed from laboratory measurements of chemical samples from low enriched uranium feed materials being stored at SRS facilities, and from manufacturer data on transport containers. The transportation simulations were accomplished over the INTERNET using the DOE TRANSNET system at Sandia National Laboratory. The HIGHWAY 3.3 code was used to analyze routing scenarios, and the RADTRAN 4 code was used to analyze incident free and accident risks of transporting radiological materials. Loading accidents were assessed using the Savannah River Site AXAIR89Q and RELEASE 2 codes

  16. 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

  17. 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.

  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. 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)

  20. The secret to successful solute-transport modeling

    Science.gov (United States)

    Konikow, Leonard F.

    2011-01-01

    Modeling subsurface solute transport is difficult—more so than modeling heads and flows. The classical governing equation does not always adequately represent what we see at the field scale. In such cases, commonly used numerical models are solving the wrong equation. Also, the transport equation is hyperbolic where advection is dominant, and parabolic where hydrodynamic dispersion is dominant. No single numerical method works well for all conditions, and for any given complex field problem, where seepage velocity is highly variable, no one method will be optimal everywhere. Although we normally expect a numerically accurate solution to the governing groundwater-flow equation, errors in concentrations from numerical dispersion and/or oscillations may be large in some cases. The accuracy and efficiency of the numerical solution to the solute-transport equation are more sensitive to the numerical method chosen than for typical groundwater-flow problems. However, numerical errors can be kept within acceptable limits if sufficient computational effort is expended. But impractically long

  1. Water and solute transport across the peritoneal membrane.

    Science.gov (United States)

    Morelle, Johann; Devuyst, Olivier

    2015-09-01

    We review the molecular mechanisms of peritoneal transport and discuss how a better understanding of these mechanisms is relevant for dialysis therapy. Peritoneal dialysis involves diffusion and osmosis through the highly vascularized peritoneal membrane. Computer simulations, expression studies and functional analyses in Aqp1 knockout mice demonstrated the critical role of the water channel aquaporin-1 (AQP1) in water removal during peritoneal dialysis. Pharmacologic regulation of AQP1, either through increased expression or gating, is associated with increased water transport in rodent models of peritoneal dialysis. Water transport is impaired during acute peritonitis, despite unchanged expression of AQP1, resulting from the increased microvascular area that dissipates the osmotic gradient across the membrane. In long-term peritoneal dialysis patients, the fibrotic interstitium also impairs water transport, resulting in ultrafiltration failure. Recent data suggest that stroke and drug intoxications might benefit from peritoneal dialysis and could represent novel applications of peritoneal transport in the future. A better understanding of the regulation of osmotic water transport across the peritoneum offers novel insights into the role of water channels in microvascular endothelia, the functional importance of structural changes in the peritoneal interstitium and the transport of water and solutes across biological membranes in general.

  2. Stochastic analysis of transport of conservative solutes in caisson experiments

    International Nuclear Information System (INIS)

    Dagan, G.

    1995-01-01

    The Los Alamos National Laboratory has conducted in the past a series of experiments of transport of conservative and reactive solutes. The experimental setup and the experimental results are presented in a series of reports. The main aim of the experiments was to validate models of transport of solutes in unsaturated flow at the caisson intermediate scale, which is much larger than the one pertaining to laboratory columns. First attempts to analyze the experimental results were by one-dimensional convective-dispersion models. These models could not explain the observed solute breakthrough curves and particularly the large solute dispersion in the caisson effluent Since there were some question marks about the uniformity of water distribution at the caisson top, the transport experiments were repeated under conditions of saturated flow. In these experiments constant heads were applied at the top and the bottom of the caisson and the number of concentration monitoring stations was quadrupled. The analysis of the measurements by the same one-dimensional model indicated clearly that the fitted dispersivity is much larger than the pore-sole dispersivity and that it grows with the distance in an approximately linear fashion. This led to the conclusion, raised before, that transport in the caisson is dominated by heterogeneity effects, i.e. by spatial variability of the material Such effects cannot be captured by traditional one-dimensional models. In order to account for the effect of heterogeneity, the saturated flow experiments have been analyzed by using stochastic transport modeling. The apparent linear growth of dispersivity with distance suggested that the system behaves like a stratified one. Consequently, the model of Dagan and Bresier has been adopted in order to interpret concentration measurements. In this simple model the caisson is viewed as a bundle of columns of different permeabilities, which are characterized by a p.d.f. (probability denasity function)

  3. 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

  4. 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.

  5. 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

  6. Solution of the transport equation with account for inelastic collisions

    International Nuclear Information System (INIS)

    Kalashnikov, N.P.; Remizovich, V.S.; Ryazanov, M.I.

    1980-01-01

    The theory of charged particle scattering in a matter with account for inelastic collisions is considered. In ''directly-forward'' approximation the transport equation at the absence of elastic collisions is obtained. The solution of the transport equation is made without and with account for fluctuation of energy losses. Formulas for path-energy relation are given. Energy spectrum and distribution of fast charged particles with respect to paths are studied. The problem of quantum mechanical approach to the theory of multiple scattering of fast charged particles in a matter is discussed briefly

  7. From analytical solutions of solute transport equations to multidimensional time-domain random walk (TDRW) algorithms

    Science.gov (United States)

    Bodin, Jacques

    2015-03-01

    In this study, new multi-dimensional time-domain random walk (TDRW) algorithms are derived from approximate one-dimensional (1-D), two-dimensional (2-D), and three-dimensional (3-D) analytical solutions of the advection-dispersion equation and from exact 1-D, 2-D, and 3-D analytical solutions of the pure-diffusion equation. These algorithms enable the calculation of both the time required for a particle to travel a specified distance in a homogeneous medium and the mass recovery at the observation point, which may be incomplete due to 2-D or 3-D transverse dispersion or diffusion. The method is extended to heterogeneous media, represented as a piecewise collection of homogeneous media. The particle motion is then decomposed along a series of intermediate checkpoints located on the medium interface boundaries. The accuracy of the multi-dimensional TDRW method is verified against (i) exact analytical solutions of solute transport in homogeneous media and (ii) finite-difference simulations in a synthetic 2-D heterogeneous medium of simple geometry. The results demonstrate that the method is ideally suited to purely diffusive transport and to advection-dispersion transport problems dominated by advection. Conversely, the method is not recommended for highly dispersive transport problems because the accuracy of the advection-dispersion TDRW algorithms degrades rapidly for a low Péclet number, consistent with the accuracy limit of the approximate analytical solutions. The proposed approach provides a unified methodology for deriving multi-dimensional time-domain particle equations and may be applicable to other mathematical transport models, provided that appropriate analytical solutions are available.

  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. Solute carrier transporters: potential targets for digestive system neoplasms.

    Science.gov (United States)

    Xie, Jing; Zhu, Xiao Yan; Liu, Lu Ming; Meng, Zhi Qiang

    2018-01-01

    Digestive system neoplasms are the leading causes of cancer-related death all over the world. Solute carrier (SLC) superfamily is composed of a series of transporters that are ubiquitously expressed in organs and tissues of digestive systems and mediate specific uptake of small molecule substrates in facilitative manner. Given the important role of SLC proteins in maintaining normal functions of digestive system, dysregulation of these protein in digestive system neoplasms may deliver biological and clinical significance that deserves systemic studies. In this review, we critically summarized the recent advances in understanding the role of SLC proteins in digestive system neoplasms. We highlighted that several SLC subfamilies, including metal ion transporters, transporters of glucose and other sugars, transporters of urea, neurotransmitters and biogenic amines, ammonium and choline, inorganic cation/anion transporters, transporters of nucleotide, amino acid and oligopeptide organic anion transporters, transporters of vitamins and cofactors and mitochondrial carrier, may play important roles in mediating the initiation, progression, metastasis, and chemoresistance of digestive system neoplasms. Proteins in these SLC subfamilies may also have diagnostic and prognostic values to particular cancer types. Differential expression of SLC proteins in tumors of digestive system was analyzed by extracting data from human cancer database, which revealed that the roles of SLC proteins may either be dependent on the substrates they transport or be tissue specific. In addition, small molecule modulators that pharmacologically regulate the functions of SLC proteins were discussed for their possible application in the treatment of digestive system neoplasms. This review highlighted the potential of SLC family proteins as drug target for the treatment of digestive system neoplasms.

  10. 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

  11. Sn approach applied to the solution of transport equation

    International Nuclear Information System (INIS)

    Lopes, J.P.

    1973-09-01

    In this work the origin of the Transport Theory is considered and the Transport Equation for the movement of the neutron in a system is established in its more general form, using the laws of nuclear physics. This equation is used as the starting point for development, under adequate assumptions, of simpler models that render the problem suitable for numerical solution. Representation of this model in different geometries is presented. The different processes of nuclear physics are introduced briefly and discussed. In addition, the boundary conditions for the different cases and a general procedure for the application of the Conservation Law are stated. The last chapter deals specifically with the S n method, its development, definitions and generalities. Computational schemes for obtaining the S n solution in spherical and cylindrical geometry, and convergence acceleration methods are also developed. (author)

  12. Geological entropy and solute transport in heterogeneous porous media

    Science.gov (United States)

    Bianchi, Marco; Pedretti, Daniele

    2017-06-01

    We propose a novel approach to link solute transport behavior to the physical heterogeneity of the aquifer, which we fully characterize with two measurable parameters: the variance of the log K values (σY2), and a new indicator (HR) that integrates multiple properties of the K field into a global measure of spatial disorder or geological entropy. From the results of a detailed numerical experiment considering solute transport in K fields representing realistic distributions of hydrofacies in alluvial aquifers, we identify empirical relationship between the two parameters and the first three central moments of the distributions of arrival times of solute particles at a selected control plane. The analysis of experimental data indicates that the mean and the variance of the solutes arrival times tend to increase with spatial disorder (i.e., HR increasing), while highly skewed distributions are observed in more orderly structures (i.e., HR decreasing) or at higher σY2. We found that simple closed-form empirical expressions of the bivariate dependency of skewness on HR and σY2 can be used to predict the emergence of non-Fickian transport in K fields considering a range of structures and heterogeneity levels, some of which based on documented real aquifers. The accuracy of these predictions and in general the results from this study indicate that a description of the global variability and structure of the K field in terms of variance and geological entropy offers a valid and broadly applicable approach for the interpretation and prediction of transport in heterogeneous porous media.

  13. Predictability of solute transport in diffusion-controlled hydrogeologic regimes

    International Nuclear Information System (INIS)

    Gillham, R.W.; Cherry, J.A.

    1983-01-01

    Hydrogeologic regimes that are favourable for the subsurface management of low-level radioactive wastes must have transport properties that will limit the migration velocity of contaminants to some acceptably low value. Of equal importance, for the purpose of impact assessment and licensing, is the need to be able to predict, with a reasonable degree of certainty and over long time periods, what the migration velocity of the various contaminants of interest will be. This paper presents arguments to show that in addition to having favourable velocity characteristics, transport in saturated, diffusion-controlled hydrogeologic regimes is considerably more predictable than in the most common alternatives. The classical transport models for unsaturated, saturated-advection-controlled and saturated-diffusion-controlled environments are compared, with particular consideration being given to the difficulties associated with the characterization of the respective transport parameters. Results are presented which show that the diffusion of non-reactive solutes and solutes that react according to a constant partitioning ratio (K/sub d/) are highly predictable under laboratory conditions and that the diffusion coefficients for the reactive solutes can be determined with a reasonable degree of accuracy from independent measurements of bulk density, porosity, distribution coefficient and tortuosity. Field evidence is presented which shows that the distribution of environmental isotopes and chloride in thick clayey deposits is consistent with a diffusion-type transport process in these media. These results are particularly important in that they not only demonstrate the occurrence of diffusion-controlled hydrogeologic regimes, but they also demonstrate the predictability of the migration characteristics over very long time periods

  14. A three-dimensional neutron transport benchmark solution

    International Nuclear Information System (INIS)

    Ganapol, B.D.; Kornreich, D.E.

    1993-01-01

    For one-group neutron transport theory in one dimension, several powerful analytical techniques have been developed to solve the neutron transport equation, including Caseology, Wiener-Hopf factorization, and Fourier and Laplace transform methods. In addition, after a Fourier transform in the transverse plane and formulation of a pseudo problem, two-dimensional (2-D) and three-dimensional (3-D) problems can be solved using the techniques specifically developed for the one-dimensional (1-D) case. Numerical evaluation of the resulting expressions requiring an inversion in the transverse plane have been successful for 2-D problems but becomes exceedingly difficult in the 3-D case. In this paper, we show that by using the symmetry along the beam direction, a 2-D problem can be transformed into a 3-D problem in an infinite medium. The numerical solution to the 3-D problem is then demonstrated. Thus, a true 3-D transport benchmark solution can be obtained from a well-established numerical solution to a 2-D problem

  15. A stochastic solution of the advective transport equation with uncertainty

    International Nuclear Information System (INIS)

    Williams, M.M.R.

    1991-01-01

    A model has been developed for calculating the transport of water-borne radionuclides through layers of porous materials, such as rock or clay. The model is based upon a purely advective transport equation, in which the fluid velocity is a random variable, thereby simulating dispersion in a more realistic manner than the ad hoc introduction of a dispersivity. In addition to a random velocity field, which is an observable physical phenomenon, allowance is made for uncertainty in our knowledge of the parameters which enter the equation, e.g. the retardation coefficient. This too, is assumed to be a random variable and contributes to the stochasticity of the resulting partial differential equation of transport. The stochastic differential equation can be solved analytically and then ensemble averages taken over the associated probability distribution of velocity and retardation coefficient. A method based upon a novel form of the central limit theorem of statistics is employed to obtain tractable solutions of a system consisting of many serial legs of varying properties. One interesting conclusion is that the total flux out of a medium is significantly underestimated by using the deterministic solution with an average transit time compared with that from the stochastically averaged solution. The theory is illustrated numerically for a number of physically relevant cases. (author) 8 figs., 4 tabs., 7 refs

  16. System for sampling active solutions in transport container; Systeme de prelevements de solutions actives sur les recipients de transport

    Energy Technology Data Exchange (ETDEWEB)

    Fradin, J.

    1958-12-03

    This report presents a system aimed at sampling active solution from a specific transport container (SCRGR model) while transferring this solution with a maximum safety. The sampling principle is described (a flexible tube connected to the receiving container, with a needle at the other end which goes through a rubber membrane and enters a plunger tube). Its benefits are outlined (operator protection, reduction of contamination risk; only the rubber membrane is removed and replaced). Some manufacturing details are described concerning the membrane and the cover.

  17. Hydrophilic solute transport across the rat blood-brain barrier

    International Nuclear Information System (INIS)

    Lucchesi, K.J.

    1987-01-01

    Brain capillary permeability-surface area products (PS) of hydrophilic solutes ranging in size from 180 to 5,500 Daltons were measured in rats according to the method of Ohno, Pettigrew and Rapoport. The distribution volume of 70 KD dextran at 10 minutes after i.v. injection was also measured to determine the residual volume of blood in brain tissue at the time of sacrifice. Small test solutes were injected in pairs in order to elucidate whether their transfer into the brain proceeds by diffusion through water- or lipid-filled channels or by vesicular transport. This issue was examined in rats whose blood-brain barrier (BBB) was presumed to be intact (untreated) and in rats that received intracarotid infusions to open the BBB (isosmotic salt (ISS) and hyperosmolar arabinose). Ohno PS values of 3 H-inulin and 14 C-L-glucose in untreated rats were found to decrease as the labelling time was lengthened. This was evidence that a rapidly equilibrating compartment exists between blood and brain that renders the Ohno two-compartment model inadequate for computing true transfer rate constants. When the data were reanalyzed using a multi-compartment graphical analysis, solutes with different molecular radii were found to enter the brain at approximately equal rates. Furthermore, unidirectional transport is likely to be initiated by solute adsorption to a glycocalyx coat on the luminal surface of brain capillary endothelium. Apparently, more inulin than L-glucose was adsorbed, which may account for its slightly faster transfer across the BBB. After rats were treated with intracarotid infusions of ISS or hyperosmolar arabinose, solute PS values were significantly increased, but the ratio of PS for each of the solute pairs approached that of their free-diffusion coefficients

  18. 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....

  19. 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.

  20. Electroluminescence from porous silicon due to electron injection from solution

    NARCIS (Netherlands)

    Kooij, Ernst S.; Despo, R.W.; Kelly, J.J.

    1995-01-01

    We report on the electroluminescence from p‐type porous silicon due to minority carrier injection from an electrolyte solution. The MV+• radical cation formed in the reduction of divalent methylviologen is able to inject electrons into the conduction band of crystalline and porous silicon. The

  1. 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

  2. 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.

  3. Assessment of applications of transport models on regional scale solute transport

    Science.gov (United States)

    Guo, Z.; Fogg, G. E.; Henri, C.; Pauloo, R.

    2017-12-01

    Regional scale transport models are needed to support the long-term evaluation of groundwater quality and to develop management strategies aiming to prevent serious groundwater degradation. The purpose of this study is to evaluate the capacity of previously-developed upscaling approaches to accurately describe main solute transport processes including the capture of late-time tails under changing boundary conditions. Advective-dispersive contaminant transport in a 3D heterogeneous domain was simulated and used as a reference solution. Equivalent transport under homogeneous flow conditions were then evaluated applying the Multi-Rate Mass Transfer (MRMT) model. The random walk particle tracking method was used for both heterogeneous and homogeneous-MRMT scenarios under steady state and transient conditions. The results indicate that the MRMT model can capture the tails satisfactorily for plume transported with ambient steady-state flow field. However, when boundary conditions change, the mass transfer model calibrated for transport under steady-state conditions cannot accurately reproduce the tailing effect observed for the heterogeneous scenario. The deteriorating impact of transient boundary conditions on the upscaled model is more significant for regions where flow fields are dramatically affected, highlighting the poor applicability of the MRMT approach for complex field settings. Accurately simulating mass in both mobile and immobile zones is critical to represent the transport process under transient flow conditions and will be the future focus of our study.

  4. 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

  5. Quantifying solute transport processes: are chemically "conservative" tracers electrically conservative?

    Science.gov (United States)

    Singha, Kamini; Li, Li; Day-Lewis, Frederick D.; Regberg, Aaron B.

    2012-01-01

    The concept of a nonreactive or conservative tracer, commonly invoked in investigations of solute transport, requires additional study in the context of electrical geophysical monitoring. Tracers that are commonly considered conservative may undergo reactive processes, such as ion exchange, thus changing the aqueous composition of the system. As a result, the measured electrical conductivity may reflect not only solute transport but also reactive processes. We have evaluated the impacts of ion exchange reactions, rate-limited mass transfer, and surface conduction on quantifying tracer mass, mean arrival time, and temporal variance in laboratory-scale column experiments. Numerical examples showed that (1) ion exchange can lead to resistivity-estimated tracer mass, velocity, and dispersivity that may be inaccurate; (2) mass transfer leads to an overestimate in the mobile tracer mass and an underestimate in velocity when using electrical methods; and (3) surface conductance does not notably affect estimated moments when high-concentration tracers are used, although this phenomenon may be important at low concentrations or in sediments with high and/or spatially variable cation-exchange capacity. In all cases, colocated groundwater concentration measurements are of high importance for interpreting geophysical data with respect to the controlling transport processes of interest.

  6. Monte Carlo methods for flux expansion solutions of transport problems

    International Nuclear Information System (INIS)

    Spanier, J.

    1999-01-01

    Adaptive Monte Carlo methods, based on the use of either correlated sampling or importance sampling, to obtain global solutions to certain transport problems have recently been described. The resulting learning algorithms are capable of achieving geometric convergence when applied to the estimation of a finite number of coefficients in a flux expansion representation of the global solution. However, because of the nonphysical nature of the random walk simulations needed to perform importance sampling, conventional transport estimators and source sampling techniques require modification to be used successfully in conjunction with such flux expansion methods. It is shown how these problems can be overcome. First, the traditional path length estimators in wide use in particle transport simulations are generalized to include rather general detector functions (which, in this application, are the individual basis functions chosen for the flus expansion). Second, it is shown how to sample from the signed probabilities that arise as source density functions in these applications, without destroying the zero variance property needed to ensure geometric convergence to zero error

  7. 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.

  8. 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

  9. 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

  10. 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...

  11. 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)

  12. 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

  13. 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%.

  14. 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...

  15. A Finite-Difference Solution of Solute Transport through a Membrane Bioreactor

    Directory of Open Access Journals (Sweden)

    B. Godongwana

    2015-01-01

    Full Text Available The current paper presents a theoretical analysis of the transport of solutes through a fixed-film membrane bioreactor (MBR, immobilised with an active biocatalyst. The dimensionless convection-diffusion equation with variable coefficients was solved analytically and numerically for concentration profiles of the solutes through the MBR. The analytical solution makes use of regular perturbation and accounts for radial convective flow as well as axial diffusion of the substrate species. The Michaelis-Menten (or Monod rate equation was assumed for the sink term, and the perturbation was extended up to second-order. In the analytical solution only the first-order limit of the Michaelis-Menten equation was considered; hence the linearized equation was solved. In the numerical solution, however, this restriction was lifted. The solution of the nonlinear, elliptic, partial differential equation was based on an implicit finite-difference method (FDM. An upwind scheme was employed for numerical stability. The resulting algebraic equations were solved simultaneously using the multivariate Newton-Raphson iteration method. The solution allows for the evaluation of the effect on the concentration profiles of (i the radial and axial convective velocity, (ii the convective mass transfer rates, (iii the reaction rates, (iv the fraction retentate, and (v the aspect ratio.

  16. 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

  17. Radial transport in the Elmo Bumpy Torus in collisionless electron regimes

    International Nuclear Information System (INIS)

    Jaeger, E.F.; Hedrick, C.L.; Spong, D.A.

    1979-01-01

    One important area of disagreement between radial transport theory and the ELMO Bumpy Torus (EBT) experiment has been the degree of collisionality of the toroidal plasma electrons. Experiment shows relatively warm electrons (kTsub(e) approximately 300-600eV) and collisionless scaling, i.e. energy confinement increasing with temperature. But results of early one-dimensional (1-D), neoclassical transport models with radially inward pointing electric fields are limited to relatively cool electrons (kTsub(e) approximately 100-200eV) and collisional scaling. In this paper these early results are extended to include lowest-order effects of ion diffusion in regions where poloidal drift frequencies are small. The effects of direct, or non-diffusive, losses in such regions are neglected along with the effects of finite radial electric fields on electron transport coefficients and of self-consistent poloidal electric fields on ion transport coefficients. Results show that solutions in the collisionless electron regime do exist. Furthermore, when the effects of finite electron ring beta on magnetic fields near the plasma edge are included, these solutions occur at power levels consistent with experiment. (author)

  18. Engineering solutions of traffic safety problems of road transport

    Directory of Open Access Journals (Sweden)

    M. Bogdevičius

    2004-02-01

    Full Text Available The authors of this paper focus on the simulation of the motor vehicle movement (taking into consideration motor vehicle dynamics, motor vehicle hydraulic brake system influence on motor vehicle movement, interaction between its wheels with road pavements, road guardrail characteristics, interaction between motor vehicle and road guardrail on a certain road section and propose their specific solution of this problem. The presented results, illustrating the motor vehicle movement trajectories (motor vehicle braking and interaction between motor vehicle and road guardrail at various initial conditions and at various certain pavement surface of the road section under investigation and work of a motor vehicle hydraulic brake system. Taking into consideration the presented general mathematical model and computer aided test results it is possible to investigate various road transport traffic situations as well as to investigate various transport traffic safety problems.

  19. Solute transport in fractured rock - applications to radionuclide waste repositories

    International Nuclear Information System (INIS)

    Neretnieks, I.

    1990-12-01

    Flow and solute transport in fractured rocks has been intensively studied in the last decade. The increased interest is mainly due to the plans in many countries to site repositories for high level nuclear waste in deep geologic formations. All investigated crystalline rocks have been found to be fractured and most of the water flows in the fractures and fracture zones. The water transports dissolved species and radionuclides. It is thus of interest to be able to understand and to do predictive modelling of the flowrate of water, the flowpaths and the residence times of the water and of the nuclides. The dissolved species including the nuclides will interact with the surrounding rock in different ways and will in many cases be strongly retarded relative to the water velocity. Ionic species may be ion exchanged or sorbed in the mineral surfaces. Charges and neutral species may diffuse into the stagnant waters in the rock matrix and thus be withdrawn from the mobile water. These effects will be strongly dependent on how much rock surface is in contact with the flowing water. It has been found in a set of field experiments and by other observations that not all fractures conduct water. Furthermore it is found that conductive fractures only conduct the water in a small part of the fracture in what is called channels or preferential flowpaths. This report summarizes the present concepts of water flow and solute transport in fractured rocks. The data needs for predictive modelling are discussed and both field and laboratory measurement which have been used to obtain data are described. Several large scale field experiments which have been specially designed to study flow and tracer transport in crystalline rocks are described. In many of the field experients new techniques have been developed and used. (81 refs.) (author)

  20. 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

  1. Soil properties and preferential solute transport at the field scale

    DEFF Research Database (Denmark)

    Koestel, J K; Minh, Luong Nhat; Nørgaard, Trine

    An important fraction of water flow and solute transport through soil takes place through preferential flow paths. Although this had been already observed in the nineteenth century, it had been forgotten by the scientific community until it was rediscovered during the 1970s. The awareness...... of the relevance of preferential flow was broadly re-established in the community by the early 1990s. However, since then, the notion remains widespread among soil scientists that the occurrence and strength of preferential flow cannot be predicted from measurable proxy variables such as soil properties or land...

  2. Solute carrier transporters: potential targets for digestive system neoplasms

    OpenAIRE

    Xie, Jing; Zhu, Xiao Yan; Liu, Lu Ming; Meng, Zhi Qiang

    2018-01-01

    Jing Xie,1,2 Xiao Yan Zhu,1,2 Lu Ming Liu,1,2 Zhi Qiang Meng1,2 1Department of Integrative Oncology, Fudan University Shanghai Cancer Center, 2Department of Oncology, Shanghai Medical College, Fudan University, Shanghai 200032, People’s Republic of China Abstract: Digestive system neoplasms are the leading causes of cancer-related death all over the world. Solute carrier (SLC) superfamily is composed of a series of transporters that are ubiquitously expressed in organs and tissues o...

  3. Heterojunction oxide thin-film transistors with unprecedented electron mobility grown from solution.

    Science.gov (United States)

    Faber, Hendrik; Das, Satyajit; Lin, Yen-Hung; Pliatsikas, Nikos; Zhao, Kui; Kehagias, Thomas; Dimitrakopulos, George; Amassian, Aram; Patsalas, Panos A; Anthopoulos, Thomas D

    2017-03-01

    Thin-film transistors made of solution-processed metal oxide semiconductors hold great promise for application in the emerging sector of large-area electronics. However, further advancement of the technology is hindered by limitations associated with the extrinsic electron transport properties of the often defect-prone oxides. We overcome this limitation by replacing the single-layer semiconductor channel with a low-dimensional, solution-grown In 2 O 3 /ZnO heterojunction. We find that In 2 O 3 /ZnO transistors exhibit band-like electron transport, with mobility values significantly higher than single-layer In 2 O 3 and ZnO devices by a factor of 2 to 100. This marked improvement is shown to originate from the presence of free electrons confined on the plane of the atomically sharp heterointerface induced by the large conduction band offset between In 2 O 3 and ZnO. Our finding underscores engineering of solution-grown metal oxide heterointerfaces as an alternative strategy to thin-film transistor development and has the potential for widespread technological applications.

  4. Heterojunction oxide thin-film transistors with unprecedented electron mobility grown from solution

    KAUST Repository

    Faber, Hendrik

    2017-04-28

    Thin-film transistors made of solution-processed metal oxide semiconductors hold great promise for application in the emerging sector of large-area electronics. However, further advancement of the technology is hindered by limitations associated with the extrinsic electron transport properties of the often defect-prone oxides. We overcome this limitation by replacing the single-layer semiconductor channel with a low-dimensional, solution-grown In2O3/ZnO heterojunction. We find that In2O3/ZnO transistors exhibit band-like electron transport, with mobility values significantly higher than single-layer In2O3 and ZnO devices by a factor of 2 to 100. This marked improvement is shown to originate from the presence of free electrons confined on the plane of the atomically sharp heterointerface induced by the large conduction band offset between In2O3 and ZnO. Our finding underscores engineering of solution-grown metal oxide heterointerfaces as an alternative strategy to thin-film transistor development and has the potential for widespread technological applications.

  5. On the Solution of the Neutron Transport Equation

    Energy Technology Data Exchange (ETDEWEB)

    Depken, S

    1962-12-15

    The neutron transport equation has occupied the attention of many authors since Placzek, Wick and others made their first attempts to solve it, Even in the simple case of energy independent cross-sections, and disregarding the motion of the scattering nucleons, it is difficult to find a solution in an analytical form which is easily surveyable and fitted for numerical calculations. In Part I of this paper some new viewpoints will be introduced which enable the solution to be presented in its simplest possible form. Part II is devoted to an investigation of some functions introduced in Part I. In Part III the results are applied to the case of large energy lethargy, and the validity of derived formulas is discussed.

  6. One-electron reduction reactions with enzymes in solution

    International Nuclear Information System (INIS)

    Bisby, R.H.; Cundall, R.B.; Redpath, J.L.; Adams, G.E.

    1976-01-01

    At pH 8 and above, hydrated electrons react with ribonuclease lysozyme and α-chymotrypsin to form transient products whose spectra resemble, but are not identical to, those for the RSSR - radical anion already known for simple disulphides. Assuming a value for the extinction coefficient similar to that for RSSR - in simple disulphides, only a fraction of the hydrated electrons are shown to react with the disulphide bridges: the remainder react at other sites in the protein molecule, such as histidine, tyrosine and, in lysozyme, tryptophan residues, giving rise to comparatively weak optical absorptions between 300 and 400 nm. This has been substantiated by studying the reaction of e - sub(aq) with subtilisin Novo (an enzyme which does not contain disulphide bridges), with enzymes in which the sulphur bridges have been oxidised and with some amino acid derivatives. On lowering the pH of the solution the intensity of the RSSR - absorption diminishes as the protonated histidine residues become the favoured reaction sites. In acid solutions (pH 2 to 3) the transient optical absoptions observed are due to reactions of hydrogen atoms with the aromatic amino acids tyrosine, tryptophan and phenylalanine. The CO - 2 radical anion is only observed to transfer an electron to disulphide groups in ribonuclease, although the effect of repeated pulsing shows that some reaction must occur elsewhere in the protein molecule. In acid solutions, protonation of the electron adduct appears to produce the RSSRH. radical, whose spectrum has a maximum at 340 nm. (author)

  7. Isotopic enrichments via altered first and second solution electron affinities

    International Nuclear Information System (INIS)

    Stevenson, G.R.; Espe, M.P.; Reiter, R.C.

    1986-01-01

    Electron spin resonance experiments have been utilized to show that the solution electron affinity of benzene- 13 C 6 is less than that of benzene by 0.24 kcal/mol and that the solution EA of benzene-d 6 is less than that of benzene by 0.44 kcal/mol. Perdeuteration of naphthalene, anthracene, or perylene results in a very similar lowering of the solution EA of the hydrocarbon as evidenced by the fact that the equilibrium constant for the electron transfer between the hydrocarbon anion radical, X/sup .-/, and the perdeuterated hydrocarbon, Xd (X/sup .-/ + Xd = Xd/sup .-/ + X), is less than unity. Likewise the second EAs of perdeuterated perylene and anthracene are lower than those of the unsubstituted hydrocarbons (K/sub eq/ for X 2- + Xd/sup .-/ = X/sup .-/ + Xd 2- is less than unity). The free energy and enthalpy of electron transfer from the anthracene anion radical to perdeuterated anthracene is 0.41 kcal/mol and that from the anthracene dianion to the perdeuterated anion radical is 0.10 kcal/mol. The fact that these equilibrium constants are not equal to 1 enables one to use the difference in the chemical reactivity of the ions and neutral molecules to selectively isotopically enrich the hydrocarbons involved

  8. Applications of stochastic models to solute transport in fractured rocks

    International Nuclear Information System (INIS)

    Gelhar, L.W.

    1987-01-01

    A stochastic theory for flow and solute transport in a single variable aperture fracture bounded by sorbing porous matrix into which solutes may diffuse, is developed using a perturbation approximation and spectral solution techniques which assume local statistical homogeneity. The theory predicts that the effective aperture of the fracture for mean solute displacement will be larger than the aperture required to calculate the large-scale flow resistance of the fracture. This ratio of apertures is a function of the variance of the logarithm of the apertures. The theory also predicts the macrodispersion coefficient for large-scale transport in the fracture. The resulting macrodispersivity is proportional to the variance of the logaperture and to its correlation scale. When variable surface sorption is included, it is found that the macrodispersivity is increased significantly, in some cases more than an order of magnitude. It is also shown that the effective retardation coefficient for the sorptively heterogeneous fracture is found by simply taking the arithmetic mean of the local surface sorption coefficient. Matrix diffusion is also shown to increase the fracture macrodispesivity at very large times. A reexamination of the results of four different field tracer tests in crystalline rock in Sweden and Canada shows aperture ratios and dispersivities that are consistent with the stochastic theory. The variance of the natural logarithm of the aperture is found to be in the range of 3 to 6 and the correlation scales for logaperture ranges from .2 to 1.2 meters. Detailed recommendations for additional field investigations at scales ranging from a few meters up to a kilometer are presented. (orig.)

  9. Electron Tunneling in Lithium Ammonia Solutions Probed by Frequency-Dependent Electron-Spin Relaxation Studies

    Science.gov (United States)

    Maeda, Kiminori; Lodge, Matthew T.J.; Harmer, Jeffrey; Freed, Jack H.; Edwards, Peter P.

    2012-01-01

    Electron transfer or quantum tunneling dynamics for excess or solvated electrons in dilute lithium-ammonia solutions have been studied by pulse electron paramagnetic resonance (EPR) spectroscopy at both X- (9.7 GHz) and W-band (94 GHz) frequencies. The electron spin-lattice (T1) and spin-spin (T2) relaxation data indicate an extremely fast transfer or quantum tunneling rate of the solvated electron in these solutions which serves to modulate the hyperfine (Fermi-contact) interaction with nitrogen nuclei in the solvation shells of ammonia molecules surrounding the localized, solvated electron. The donor and acceptor states of the solvated electron in these solutions are the initial and final electron solvation sites found before, and after, the transfer or tunneling process. To interpret and model our electron spin relaxation data from the two observation EPR frequencies requires a consideration of a multi-exponential correlation function. The electron transfer or tunneling process that we monitor through the correlation time of the nitrogen Fermi-contact interaction has a time scale of (1–10)×10−12 s over a temperature range 230–290K in our most dilute solution of lithium in ammonia. Two types of electron-solvent interaction mechanisms are proposed to account for our experimental findings. The dominant electron spin relaxation mechanism results from an electron tunneling process characterized by a variable donor-acceptor distance or range (consistent with such a rapidly fluctuating liquid structure) in which the solvent shell that ultimately accepts the transferring electron is formed from random, thermal fluctuations of the liquid structure in, and around, a natural hole or Bjerrum-like defect vacancy in the liquid. Following transfer and capture of the tunneling electron, further solvent-cage relaxation with a timescale of ca. 10−13 s results in a minor contribution to the electron spin relaxation times. This investigation illustrates the great potential

  10. Electron tunneling in lithium-ammonia solutions probed by frequency-dependent electron spin relaxation studies.

    Science.gov (United States)

    Maeda, Kiminori; Lodge, Matthew T J; Harmer, Jeffrey; Freed, Jack H; Edwards, Peter P

    2012-06-06

    Electron transfer or quantum tunneling dynamics for excess or solvated electrons in dilute lithium-ammonia solutions have been studied by pulse electron paramagnetic resonance (EPR) spectroscopy at both X- (9.7 GHz) and W-band (94 GHz) frequencies. The electron spin-lattice (T(1)) and spin-spin (T(2)) relaxation data indicate an extremely fast transfer or quantum tunneling rate of the solvated electron in these solutions which serves to modulate the hyperfine (Fermi-contact) interaction with nitrogen nuclei in the solvation shells of ammonia molecules surrounding the localized, solvated electron. The donor and acceptor states of the solvated electron in these solutions are the initial and final electron solvation sites found before, and after, the transfer or tunneling process. To interpret and model our electron spin relaxation data from the two observation EPR frequencies requires a consideration of a multiexponential correlation function. The electron transfer or tunneling process that we monitor through the correlation time of the nitrogen Fermi-contact interaction has a time scale of (1-10) × 10(-12) s over a temperature range 230-290 K in our most dilute solution of lithium in ammonia. Two types of electron-solvent interaction mechanisms are proposed to account for our experimental findings. The dominant electron spin relaxation mechanism results from an electron tunneling process characterized by a variable donor-acceptor distance or range (consistent with such a rapidly fluctuating liquid structure) in which the solvent shell that ultimately accepts the transferring electron is formed from random, thermal fluctuations of the liquid structure in, and around, a natural hole or Bjerrum-like defect vacancy in the liquid. Following transfer and capture of the tunneling electron, further solvent-cage relaxation with a time scale of ∼10(-13) s results in a minor contribution to the electron spin relaxation times. This investigation illustrates the great

  11. A transportronic solution to the problem of interorbital transportation

    Science.gov (United States)

    Brown, William C.

    1992-01-01

    An all-electronic transportation system described by the term 'transportronics' is examined as a means of solving the current problem of the high cost of transporting material from low-Earth orbit (LEO) to geostationary orbit (GEO). In this transportation system, low cost electric energy at the surface of the Earth is efficiently converted into microwave power which is then efficiently formed into a narrow beam which is kept incident upon the orbital transfer vehicles (OTV's) by electronic tracking. The incident beam is efficiently captured and converted into DC power by a device which has a very high ratio of DC power output to its mass. Because the mass of the electric thruster is also low, the resulting acceleration is unprecedented for electric-propelled vehicles. However, the performance of the system in terms of transit times from LEO to GEO is penalized by the short time of contact between the beam and the vehicle in low-Earth orbits. This makes it necessary to place the Earth based transmitters and the vehicles in the equatorial plane thus introducing many geopolitical factors. Technically, however, such a system as described in the report may out-perform any other approach to transportation in the LEO to GEO regime. The report describes and analyzes all portions of the beamed microwave power transmission system in considerable detail. An economic analysis of the operating and capital costs is made with the aid of a reference system capable of placing about 130,000 kilograms of payload into GEO each year. More mature states of the system are then examined, to a level in which 60,000 metric tons per year could be placed into GEO.

  12. 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

  13. 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.

  14. Treating limbs with electrons: creative solutions to technical problems

    International Nuclear Information System (INIS)

    Hornby, C.

    1993-01-01

    The treatment of superficial lesions on limbs involving large areas of skin has long presented a challenge to radiation therapists. In the 1990's the use of electrons provides a good selection of field sizes and beam penetrations. However, the rapidly varying contours of limbs as well as their mobility, continues to necessitate solutions to the problems of accurate field definition, homogeneous dose in particularly at beam junctions and, simple but effective patient stabilization. This paper offers several examples of creative solutions to these problems. 8 refs., 17 figs

  15. 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.

  16. 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)

  17. 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

  18. 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 .

  19. 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

  20. 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.

  1. TRANSPORT OF SOLUTES IN THE FIELD AS AFFECTED BY IRRIGATION

    Directory of Open Access Journals (Sweden)

    Alessandro Comegna

    2007-09-01

    Full Text Available This study documents and compares the transport of a conservative solute in near saturated soil profiles under flood and sprinkler irrigation. The experiments were carried out on a clay Vertic-Usthortens soil located near Potenza (Italy. Two 2x2 m2 plots were clipped of their native grass vegetation. After spraying on the surface a Cl- pulse as KCl salt; water was applied in five increments over two months as flood irrigation on the first plot and as sprinkler irrigation on the second one. Chloride resident concentration Cr, was sampled by soil coring at four different days after chemical application. Cr(z,t profiles were analyzed by spatial moment method. The recovered mass of Cl- and location of center of mass were comparable for the two types of irrigation. The spread around the center of mass, however, was higher for the flood-irrigated plot. In the flood-irrigated plot, more mass leached below the depth of 90 cm. The velocity of the center of mass was consistently 10-20% larger than the piston displacement velocity. To evaluate the nature of transport, the Cr(z,t distributions were modelled using quasi-steady solution of convection-dispersion equation(CDE. At the scale of our experiments the profiles of Cl- resident concentration are well-simulated.

  2. Analysis of solute transport in plants using positron emission tomography

    International Nuclear Information System (INIS)

    Partelova, D.

    2016-01-01

    In the first part of the work, geometrically and radiochemically characterized standards (phantoms) imitating the plant tissues and allowing the exact quantification of visualised radioindicator in plant tissues were designed and prepared within the study of visual and analytical characteristics of used positron emission tomograph (microPET system) commercially developed for animal objects at visualization of thin objects. Individual experiments carried out by exposure of excised leaves of tobacco (Nicotiana tabacum L.) or radish (Raphanus sativus L.) in solutions of 2-deoxy-2-fluoro-D-glucose labelled with positron emitter 18 F (2-[ 18 F]FDG) containing 10-, 100-, or 1000-times higher concentrations of D-glucose (c glu ) in comparison with the original 2-[ 18 F]FDG solution showed that the significant changes in visualisation of 2-[ 18 F]FDG distribution as well as in chemical portion of 2-[ 18 F]FDG within the leaf blade were observed as result of increased c glu . In the experiments with the whole plants of tobacco or radish exposed in 2-[ 18 F]FDG solution through the root system, only minimal translocation of 18 F radioactivity into the above-ground parts of plants, also in the case of increased c glu , was observed, which suggest the role of root system as a selective barrier of 2-[ 18 F]FDG transport from roots to the above-ground parts. On the basis of mentioned knowledge and analytical approaches (application of prepared phantoms), the dynamic study of 2-[ 18 F]FDG uptake and transport within the excised leaf of tobacco or whole radish plant was carried out. The description of these processes was realized through the 3D PET images and through the quantification of 2-[ 18 F]FDG distribution within the chosen regions of interest from the point of view of accumulated 18 F radioactivity (in Bq) or amount of D-glucose (in μg) as well. Application of methods of multivariate analysis allows to found the similarities between studied objects mainly from the point

  3. 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.

  4. Solutions for the motion of an electron in electromagnetic fields

    International Nuclear Information System (INIS)

    Bagrov, V.G.; Gitman, D.M.; Jushin, A.V.

    1975-01-01

    New exact solutions of the Lorentz, Hamilton--Jacobi, Klein--Gordon, and Dirac equations for an electron moving in the field of a plane wave and in electric and magnetic fields were found. The electric and magnetic fields are parallel to the direction of propagation of the plane wave. The magnetic field is constant and the electric field is an arbitrary function of the combination ct-z

  5. Study of solute segregation at interfaces using Auger electron spectroscopy

    International Nuclear Information System (INIS)

    White, C.L.

    1984-01-01

    Interfacial segregation, often confined to within a few atomic distances of the interface, can strongly influence the processing and properties of metals and ceramics. The thinness of such solute-enriched regions can cause them to be particularly suitable for study using surface sensitive microanalytical techniques such as Auger electron spectroscopy (AES). The application of AES to studies of interfacial segregation in metals and ceramics is briefly reviewed, and several examples are presented. 43 references, 14 figures

  6. 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)

  7. 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

  8. Electron-transport, ionization, attachment, and dissociation coefficients in SF6 and its mixtures

    International Nuclear Information System (INIS)

    Phelps, A.V.; Van Brunt, R.J.

    1988-01-01

    An improved set of electron-collision cross sections is derived for SF 6 and used to calculate transport, ionization, attachment, and dissociation coefficients for pure SF 6 and mixtures of SF 6 with N 2 , O 2 , and Ne. The SF 6 cross sections differ from previously published sets primarily at very low and high electron energies. At energies below 0.03 eV the attachment cross section is adjusted to fit recent electron swarm experiments, while the elastic momentum transfer cross section is increased to the theoretical limit. At high energies an allowance is made for the excitation of highly excited levels as observed in electron beam experiments. The cross-section sets used for the admixed gases have previously been published. Electron kinetic energy distributions computed from numerical solutions of the electron-transport (Boltzmann) equation using the two-term, spherical harmonic expansion approximation were used to obtain electron-transport and reaction coefficients as functions of E/N and the fractional concentration of SF 6 . Here E is the electric field strength and N is the gas number density. Attachment rate data for low concentrations of SF 6 in N 2 are used to test the attachment cross sections. Particular attention is given to the calculation of transport and reaction coefficients at the critical E/N = (E/N)/sub c/ at which the ionization and attachment rates are equal

  9. 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

  10. Transport Visualization for Studying Mass Transfer and Solute Transport in Permeable Media

    International Nuclear Information System (INIS)

    Roy Haggerty

    2004-01-01

    Understanding and predicting mass transfer coupled with solute transport in permeable media is central to several energy-related programs at the US Department of Energy (e.g., CO 2 sequestration, nuclear waste disposal, hydrocarbon extraction, and groundwater remediation). Mass transfer is the set of processes that control movement of a chemical between mobile (advection-dominated) domains and immobile (diffusion- or sorption-dominated) domains within a permeable medium. Consequences of mass transfer on solute transport are numerous and may include (1) increased sequestration time within geologic formations; (2) reduction in average solute transport velocity by as much as several orders of magnitude; (3) long ''tails'' in concentration histories during removal of a solute from a permeable medium; (4) poor predictions of solute behavior over long time scales; and (5) changes in reaction rates due to mass transfer influences on pore-scale mixing of solutes. Our work produced four principle contributions: (1) the first comprehensive visualization of solute transport and mass transfer in heterogeneous porous media; (2) the beginnings of a theoretical framework that encompasses both macrodispersion and mass transfer within a single set of equations; (3) experimental and analytical tools necessary for understanding mixing and aqueous reaction in heterogeneous, granular porous media; (4) a clear experimental demonstration that reactive transport is often not accurately described by a simple coupling of the convection-dispersion equation with chemical reaction equations. The work shows that solute transport in heterogeneous media can be divided into 3 regimes--macrodispersion, advective mass transfer, and diffusive mass transfer--and that these regimes can be predicted quantitatively in binary media. We successfully predicted mass transfer in each of these regimes and verified the prediction by completing quantitative visualization experiments in each of the regimes, the

  11. 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

  12. 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)

  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. 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.

  15. 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)

  16. 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

  17. Solutions to Improve Person Transport System in the Pitesti City by Analyzing Public Transport vs. Private Transport

    Science.gov (United States)

    Mihaela, Istrate; Alexandru, Boroiu; Viorel, Nicolae; Ionel, Vieru

    2017-10-01

    One of the major problems facing the Pitesti city is the road congestion that occurs in the central area of the city during the peak hours. With all the measures taken in recent years - the widening of road arteries, increasing the number of parking spaces, the creation of overground road passages - it is obvious that the problem can only be solved by a new philosophy regarding urban mobility: it is no longer possible to continue through solutions to increase the accessibility of the central area of the city, but it is necessary, on the contrary, to promote a policy of discouraging the penetration of vehicles in the city center, coupled with a policy of improving the connection between urban public transport and county public transport. This new approach is also proposed in the new Urban Mobility Plan of Pitesti city, under development. The most convincing argument for the necessity of this new orientation in the Pitesti city mobility plan is based on the analysis of the current situation of passenger transport on the territory of Pitesti city: the analysis of “public transport versus private transport” reveals a very low occupancy rate for cars and the fact that the road surface required for a passenger (the dynamic area) is much higher in the case of private transport than in the case of public transport. Measurements of passenger flows and vehicle flows on the 6 penetration ways in the city have been made and the calculations clearly demonstrate the benefits of an urban public transport system connected by “transshipment buses” to be made at the edge of the city, to the county public transport system. In terms of inter-county transport, it will continue to be connected to the urban public transport system by existing bus Station, within the city: South Bus Station and North Bus Station. The usefulness of the paper is that it identifies the solutions for sustainable mobility in Pitesti city and proposes concrete solutions for the development of the

  18. Approximate solutions for the two-dimensional integral transport equation. Solution of complex two-dimensional transport problems

    International Nuclear Information System (INIS)

    Sanchez, Richard.

    1980-11-01

    This work is divided into two parts: the first part deals with the solution of complex two-dimensional transport problems, the second one (note CEA-N-2166) treats the critically mixed methods of resolution. A set of approximate solutions for the isotropic two-dimensional neutron transport problem has been developed using the interface current formalism. The method has been applied to regular lattices of rectangular cells containing a fuel pin, cladding, and water, or homogenized structural material. The cells are divided into zones that are homogeneous. A zone-wise flux expansion is used to formulate a direct collision probability problem within a cell. The coupling of the cells is effected by making extra assumptions on the currents entering and leaving the interfaces. Two codes have been written: CALLIOPE uses a cylindrical cell model and one or three terms for the flux expansion, and NAUSICAA uses a two-dimensional flux representation and does a truly two-dimensional calculation inside each cell. In both codes, one or three terms can be used to make a space-independent expansion of the angular fluxes entering and leaving each side of the cell. The accuracies and computing times achieved with the different approximations are illustrated by numerical studies on two benchmark problems and by calculations performed in the APOLLO multigroup code [fr

  19. Study of the electron heat transport in Tore-Supra tokamak; Etude du transport de la chaleur electronique dans le Tokamak Tore Supra

    Energy Technology Data Exchange (ETDEWEB)

    Harauchamps, E

    2004-07-01

    This work presents analytical solutions to the electron heat transport equation involving a damping term and a convection term in a cylindrical geometry. These solutions, processed by Matlab, allow the determination of the evolution of the radial profile of electron temperature in tokamaks during heating. The modulated injection of waves around the electron cyclotron frequency is an efficient tool to study heat transport experimentally in tokamaks. The comparison of these analytical solutions with experimental results from Tore-Supra during 2 discharges (30550 and 31165) shows the presence of a sudden change for the diffusion and damping coefficients. The hypothesis of the presence of a pinch spread all along the plasma might explain the shape of the experimental temperature profiles. These analytical solutions could be used to determine the time evolution of plasma density as well or of any parameter whose evolution is governed by a diffusion-convection equation. (A.C.)

  20. 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.

  1. Multigroup adjoint transport solution using the method of cyclic characteristics

    International Nuclear Information System (INIS)

    Assawaroongruengchot, M.; Marleau, G.

    2005-01-01

    The adjoint transport solution algorithm based on the method of cyclic characteristics (MOCC) is developed for the heterogeneous 2-dimensional geometries. The adjoint characteristics equation associated with a cyclic tracking line is formulated, then a closed form for adjoint angular flux can be determined. The acceleration techniques are implemented using the group-reduction and group-splitting techniques. To demonstrate the efficacy of the algorithm, the calculations are performed on the 17*17 PWR and Watanabe-Maynard benchmark problems. Comparisons of adjoint flux and k eff results obtained by MOCC and collision probability (CP) methods are performed. The mathematical relationship between pseudo-adjoint flux obtained by CP method and adjoint flux by MOCC method is presented. It appears that the pseudo-adjoint flux by CP method is equivalent to the adjoint flux by MOCC method and that the MOCC method requires lower computing time than the CP method for a single adjoint flux calculation

  2. Multigroup adjoint transport solution using the method of cyclic characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Assawaroongruengchot, M.; Marleau, G. [Ecole Polytechnique de Montreal, Institut de Genie Nucleaire, Montreal, Quebec (Canada)

    2005-07-01

    The adjoint transport solution algorithm based on the method of cyclic characteristics (MOCC) is developed for the heterogeneous 2-dimensional geometries. The adjoint characteristics equation associated with a cyclic tracking line is formulated, then a closed form for adjoint angular flux can be determined. The acceleration techniques are implemented using the group-reduction and group-splitting techniques. To demonstrate the efficacy of the algorithm, the calculations are performed on the 17*17 PWR and Watanabe-Maynard benchmark problems. Comparisons of adjoint flux and k{sub eff} results obtained by MOCC and collision probability (CP) methods are performed. The mathematical relationship between pseudo-adjoint flux obtained by CP method and adjoint flux by MOCC method is presented. It appears that the pseudo-adjoint flux by CP method is equivalent to the adjoint flux by MOCC method and that the MOCC method requires lower computing time than the CP method for a single adjoint flux calculation.

  3. The quasi-diffusive approximation in transport theory: Local solutions

    International Nuclear Information System (INIS)

    Celaschi, M.; Montagnini, B.

    1995-01-01

    The one velocity, plane geometry integral neutron transport equation is transformed into a system of two equations, one of them being the equation of continuity and the other a generalized Fick's law, in which the usual diffusion coefficient is replaced by a self-adjoint integral operator. As the kernel of this operator is very close to the Green function of a diffusion equation, an approximate inversion by means of a second order differential operator allows to transform these equations into a purely differential system which is shown to be equivalent, in the simplest case, to a diffusion-like equation. The method, the principles of which have been exposed in a previous paper, is here extended and applied to a variety of problems. If the inversion is properly performed, the quasi-diffusive solutions turn out to be quite accurate, even in the vicinity of the interface between different material regions, where elementary diffusion theory usually fails. 16 refs., 3 tabs

  4. Approximate solution to neutron transport equation with linear anisotropic scattering

    International Nuclear Information System (INIS)

    Coppa, G.; Ravetto, P.; Sumini, M.

    1983-01-01

    A method to obtain an approximate solution to the transport equation, when both sources and collisions show a linearly anisotropic behavior, is outlined and the possible implications for numerical calculations in applied neutronics as well as shielding evaluations are investigated. The form of the differential system of equations taken by the method is quite handy and looks simpler and more manageable than any other today available technique. To go deeper into the efficiency of the method, some typical calculations concerning critical dimension of multiplying systems are then performed and the results are compared with the ones coming from the classical Ssub(N) approximations. The outcome of such calculations leads us to think of interesting developments of the method which could be quite useful in alternative to other today widespread approximate procedures, for any geometry, but especially for curved ones. (author)

  5. Coupling of solute transport and cell expansion in pea stems

    Science.gov (United States)

    Schmalstig, J. G.; Cosgrove, D. J.

    1990-01-01

    As cells expand and are displaced through the elongation zone of the epicotyl of etiolated pea (Pisum sativum L. var Alaska) seedlings, there is little net dilution of the cell sap, implying a coordination between cell expansion and solute uptake from the phloem. Using [14C] sucrose as a phloem tracer (applied to the hypogeous cotyledons), the pattern of label accumulation along the stem closely matched the growth rate pattern: high accumulation in the growing zone, little accumulation in nongrowing regions. Several results suggest that a major portion of phloem contents enters elongating cells through the symplast. We propose that the coordination between phloem transport and cell expansion is accomplished via regulatory pathways affecting both plasmodesmata conductivity and cell expansion.

  6. Observation of electron-transfer-mediated decay in aqueous solution

    Science.gov (United States)

    Unger, Isaak; Seidel, Robert; Thürmer, Stephan; Pohl, Marvin N.; Aziz, Emad F.; Cederbaum, Lorenz S.; Muchová, Eva; Slavíček, Petr; Winter, Bernd; Kryzhevoi, Nikolai V.

    2017-07-01

    Photoionization is at the heart of X-ray photoelectron spectroscopy (XPS), which gives access to important information on a sample's local chemical environment. Local and non-local electronic decay after photoionization—in which the refilling of core holes results in electron emission from either the initially ionized species or a neighbour, respectively—have been well studied. However, electron-transfer-mediated decay (ETMD), which involves the refilling of a core hole by an electron from a neighbouring species, has not yet been observed in condensed phase. Here we report the experimental observation of ETMD in an aqueous LiCl solution by detecting characteristic secondary low-energy electrons using liquid-microjet soft XPS. Experimental results are interpreted using molecular dynamics and high-level ab initio calculations. We show that both solvent molecules and counterions participate in the ETMD processes, and different ion associations have distinctive spectral fingerprints. Furthermore, ETMD spectra are sensitive to coordination numbers, ion-solvent distances and solvent arrangement.

  7. Electronic states of graphene nanoribbons and analytical solutions

    Directory of Open Access Journals (Sweden)

    Katsunori Wakabayashi, Ken-ichi Sasaki, Takeshi Nakanishi and Toshiaki Enoki

    2010-01-01

    Full Text Available Graphene is a one-atom-thick layer of graphite, where low-energy electronic states are described by the massless Dirac fermion. The orientation of the graphene edge determines the energy spectrum of π-electrons. For example, zigzag edges possess localized edge states with energies close to the Fermi level. In this review, we investigate nanoscale effects on the physical properties of graphene nanoribbons and clarify the role of edge boundaries. We also provide analytical solutions for electronic dispersion and the corresponding wavefunction in graphene nanoribbons with their detailed derivation using wave mechanics based on the tight-binding model. The energy band structures of armchair nanoribbons can be obtained by making the transverse wavenumber discrete, in accordance with the edge boundary condition, as in the case of carbon nanotubes. However, zigzag nanoribbons are not analogous to carbon nanotubes, because in zigzag nanoribbons the transverse wavenumber depends not only on the ribbon width but also on the longitudinal wavenumber. The quantization rule of electronic conductance as well as the magnetic instability of edge states due to the electron–electron interaction are briefly discussed.

  8. 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)

  9. 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.

  10. Fluid and solute transport in a network of channels

    International Nuclear Information System (INIS)

    Moreno, L.; Neretnieks, I.

    1991-09-01

    A three-dimensional channel network model is presented. The fluid flow and solute transport are assumed to take place through a network of connected channels. The channels are generated assuming that the conductances are lognormally distributed. The flow is calculated resolving the pressure distribution and the sole transport is calculated by using a particle tracking technique. The model includes diffusion into the rock matrix and sorption within the matrix in addition to advection along the channel network. Different approaches are used to describe the channel volume and its relation to the conductivity. To quantify the diffusion into the rock matrix the size of the flow wetted surface (contact surface between the channel and the rock) is needed in addition to the diffusion properties and the sorption capacity of the rock. Two different geometries were simulated: regional parallel flow and convergent flow toward a tunnel. In the generation of the channel network, it is found that its connectivity is reduced when the standard deviation in conductances is increased. For large standard deviations, the water conducting channels are found to be few. Standard deviations for the distribution of the effluent channel flowrates were calculated. Comparisons were made with experimental data from drifts and tunnels as well as boreholes as a means to validate the model. (au) (31 refs.)

  11. 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

  12. 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

  13. 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.

  14. 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

  15. Improved parallel solution techniques for the integral transport matrix method

    Energy Technology Data Exchange (ETDEWEB)

    Zerr, R. Joseph, E-mail: rjz116@psu.edu [Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, PA (United States); Azmy, Yousry Y., E-mail: yyazmy@ncsu.edu [Department of Nuclear Engineering, North Carolina State University, Burlington Engineering Laboratories, Raleigh, NC (United States)

    2011-07-01

    Alternative solution strategies to the parallel block Jacobi (PBJ) method for the solution of the global problem with the integral transport matrix method operators have been designed and tested. The most straightforward improvement to the Jacobi iterative method is the Gauss-Seidel alternative. The parallel red-black Gauss-Seidel (PGS) algorithm can improve on the number of iterations and reduce work per iteration by applying an alternating red-black color-set to the subdomains and assigning multiple sub-domains per processor. A parallel GMRES(m) method was implemented as an alternative to stationary iterations. Computational results show that the PGS method can improve on the PBJ method execution time by up to 10´ when eight sub-domains per processor are used. However, compared to traditional source iterations with diffusion synthetic acceleration, it is still approximately an order of magnitude slower. The best-performing cases are optically thick because sub-domains decouple, yielding faster convergence. Further tests revealed that 64 sub-domains per processor was the best performing level of sub-domain division. An acceleration technique that improves the convergence rate would greatly improve the ITMM. The GMRES(m) method with a diagonal block pre conditioner consumes approximately the same time as the PBJ solver but could be improved by an as yet undeveloped, more efficient pre conditioner. (author)

  16. Improved parallel solution techniques for the integral transport matrix method

    International Nuclear Information System (INIS)

    Zerr, R. Joseph; Azmy, Yousry Y.

    2011-01-01

    Alternative solution strategies to the parallel block Jacobi (PBJ) method for the solution of the global problem with the integral transport matrix method operators have been designed and tested. The most straightforward improvement to the Jacobi iterative method is the Gauss-Seidel alternative. The parallel red-black Gauss-Seidel (PGS) algorithm can improve on the number of iterations and reduce work per iteration by applying an alternating red-black color-set to the subdomains and assigning multiple sub-domains per processor. A parallel GMRES(m) method was implemented as an alternative to stationary iterations. Computational results show that the PGS method can improve on the PBJ method execution time by up to 10´ when eight sub-domains per processor are used. However, compared to traditional source iterations with diffusion synthetic acceleration, it is still approximately an order of magnitude slower. The best-performing cases are optically thick because sub-domains decouple, yielding faster convergence. Further tests revealed that 64 sub-domains per processor was the best performing level of sub-domain division. An acceleration technique that improves the convergence rate would greatly improve the ITMM. The GMRES(m) method with a diagonal block pre conditioner consumes approximately the same time as the PBJ solver but could be improved by an as yet undeveloped, more efficient pre conditioner. (author)

  17. 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.)

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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.

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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...

  10. 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

  11. 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,

  12. Approximate and analytical solutions for solute transport from an injection well into a single fracture

    International Nuclear Information System (INIS)

    Chen, C.S.; Yates, S.R.

    1989-01-01

    In dealing with problems related to land-based nuclear waste management, a number of analytical and approximate solutions were developed to quantify radionuclide transport through fractures contained in the porous formation. It has been reported that by treating the radioactive decay constant as the appropriate first-order rate constant, these solutions can also be used to study injection problems of a similar nature subject to first-order chemical or biological reactions. The fracture is idealized by a pair of parallel, smooth plates separated by an aperture of constant thickness. Groundwater was assumed to be immobile in the underlying and overlying porous formations due to their low permeabilities. However, the injected radionuclides were able to move from the fracture into the porous matrix by molecular diffusion (the matrix diffusion) due to possible concentration gradients across the interface between the fracture and the porous matrix. Calculation of the transient solutions is not straightforward, and the paper documents a contained Fortran program, which computes the Stehfest inversion, the Airy functions, and gives the concentration distributions in the fracture as well as in the porous matrix for both transient and steady-state cases

  13. 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.

  14. 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)

  15. 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

  16. 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

  17. 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

  18. 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

  19. Electron enhanced Raman scattering and its applications in solution chemistry

    International Nuclear Information System (INIS)

    Yui, Hiroharu

    2007-01-01

    The present review describes a new enhancement technique for Raman scattering in aqueous solutions. Raman scattering spectroscopy has an inherent ability to distinguish between molecules with great similarity and provides useful information on local physical and chemical environments at their functional groups' level. Since the Raman scattering signals from water molecules are quite weak, Raman spectroscopy has great advantage for detection or discrimination of a trace amount of analytes in aqueous environments. However, Raman scattering cross-sections are inherently small and it generally requires high power excitation and long acquisition times to obtain high-quality Raman spectra. These conditions create disadvantages for the analyses for living cells and real-time monitoring for environmental analyses. Here, I describe a new Raman enhancement technique, namely electron enhanced Raman scattering (EERS)', where artificially generated electrons additionally affect the polarizability of target molecular systems and enhance their inherent Raman cross-section. Principles of the EERS and its applications to aqueous solution are presented. (author)

  20. 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.

  1. 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

  2. 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.

  3. 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

  4. 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...

  5. Product Lifecycle Management and the Quest for Sustainable Space Transportation Solutions

    Science.gov (United States)

    Caruso, Pamela W.

    2009-01-01

    This viewgraph presentation reviews NASA Marshall's effort to sustain space transportation solutions through product lines that include: 1) Propulsion and Transportation Systems; 2) Life Support Systems; and 3) and Earth and Space Science Spacecraft Systems, and Operations.

  6. Small-sized linear accelerator of 2.5 MeV electrons with a local radiation shield for custom examination of freight transported by motor transport

    International Nuclear Information System (INIS)

    Baklanov, A.V.; Gavrish, Yu.N.; Klinov, A.P.; Krest'yaninov, A.S.; Nikolaev, V.M.; Fomin, L.P.; Linkenbach, H.A.; Geus, G.; Knospel, W.

    2001-01-01

    A new development of a small-sized linear accelerator of 2.5 MeV electrons with a local radiation protection is described. The accelerator is intended for movable facilities of radiation custom of the freight transported by motor transport. Main constructive solutions, mass and dimension characteristics and results of preliminary tests of the accelerator parameters and characteristics of radiation protection are presented [ru

  7. Finite element based composite solution for neutron transport problems

    International Nuclear Information System (INIS)

    Mirza, A.N.; Mirza, N.M.

    1995-01-01

    A finite element treatment for solving neutron transport problems is presented. The employs region-wise discontinuous finite elements for the spatial representation of the neutron angular flux, while spherical harmonics are used for directional dependence. Composite solutions has been obtained by using different orders of angular approximations in different parts of a system. The method has been successfully implemented for one dimensional slab and two dimensional rectangular geometry problems. An overall reduction in the number of nodal coefficients (more than 60% in some cases as compared to conventional schemes) has been achieved without loss of accuracy with better utilization of computational resources. The method also provides an efficient way of handling physically difficult situations such as treatment of voids in duct problems and sharply changing angular flux. It is observed that a great wealth of information about the spatial and directional dependence of the angular flux is obtained much more quickly as compared to Monte Carlo method, where most of the information in restricted to the locality of immediate interest. (author)

  8. New constructive solutions for building of transport construction facilities

    Directory of Open Access Journals (Sweden)

    Babayev Vladimir

    2017-01-01

    Full Text Available New structural systems for civil and transport engineering were examined. The basis for the formation of the proposed reinforced concrete structures is the ideology of reducing its dead weight, with a given bearing capacity, the realization of which is accomplished by burial during concreting large-sized liners of a given shape and manufactured from lightweight, inexpensive composite materials. The process of erecting these systems is presented in two forms: for flat structures - using self-tightening concrete, and for curvilinear ones - by using shotcrete technologies. The second direction is presented by steel-reinforced concrete structures. These structural systems were created on the basis of innovative component and methods of rationalization of parameters. The basis of the above methods is a compiler which includes the finite element method, adaptive evolution method and special iterative procedures. Experimental verification of structural solutions and formation procedures for suggested systems was performed. Comparison between theoretical and experimental data is given. Suggested systems were implemented in a number of building companies.

  9. 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)

  10. Control and optimization of solute transport in a thin porous tube

    KAUST Repository

    Griffiths, I. M.; Howell, P. D.; Shipley, R. J.

    2013-01-01

    differentials upon the dispersive solute behaviour are investigated. The model is used to explore the control of solute transport across the membrane walls via the membrane permeability, and a parametric expression for the permeability required to generate a

  11. Technology in rural transportation. Simple solution #6, traveler information on the internet

    Science.gov (United States)

    1997-01-01

    This application was identified as a promising rural Intelligent Transportation Systems (ITS) solution under a project sponsored by the Federal Highway Administration (FHWA) and the ENTERPRISE program. This summary describes the solution as well as o...

  12. Solute transport with periodic input point source in one-dimensional ...

    African Journals Online (AJOL)

    JOY

    groundwater flow velocity is considered proportional to multiple of temporal function and ζ th ... One-dimensional solute transport through porous media with or without .... solute free. ... the periodic concentration at source of the boundary i.e.,. 0.

  13. Semianalytical solutions of radioactive or reactive tracer transport in layered fractured media

    International Nuclear Information System (INIS)

    Moridis, G.J.; Bodvarsson, G.S.

    2001-01-01

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive tracers (solutes or colloids) through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the matrix account for (a) diffusion, (b) surface diffusion (for solutes only), (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first order chemical reactions. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Additionally, the colloid transport equations account for straining and velocity adjustments related to the colloidal size. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of 3 H, 237 Np and 239 Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity. 239 Pu colloid transport problems in multilayered systems indicate significant colloid accumulations at straining interfaces but much faster transport of the colloid than the corresponding strongly sorbing solute species

  14. 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.

  15. 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

  16. Mathematical description of adsorption and transport of reactive solutes in soil: a review of selected literature

    International Nuclear Information System (INIS)

    Travis, C.C.

    1978-10-01

    This report reviews selected literature related to the mathematical description of the transport of reactive solutes through soil. The primary areas of the literature reviewed are (1) mathematical models in current use for description of the adsorption-desorption interaction between the soil solution and the soil matrix and (2) analytic solutions of the differential equations describing the convective-dispersive transport of reactive solutes through soil

  17. 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

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. Dose measurement of fast electrons with a modified Fricke solution

    International Nuclear Information System (INIS)

    Nemec, H.W.; Roth, J.; Luethy, H.

    1975-01-01

    A combination of two different modifications indicated in the literature about the ferrosulfate dosimetry is given. This permits a dose measurement which shows compared to the usual Fricke dosimetry above all following advantages: dose specification related to water; displacement of the absorption maximum in the perceptible spectral sphere; increase of the sensibility and lower influence of pollutions. The molar coefficient of extinction of the modified solution has been determined from 60 Co gamma irradiation and is epsilonsub(m) = 1.46 x 10 4 l x Mol -1 x cm -1 . The increase of extinction which has been measured with this method after the irradiation with 18 MeV electrons occurs linearly within the studied region to 1,200 rd at least, the G-value is 15.5. The indicated method renders possible a relative simple calibration of the ionization chambers used in the practice. (orig.) [de

  4. 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)

  5. Flexible ITO-free organic solar cells applying aqueous solution-processed V2O5 hole transport layer: An outdoor stability study

    DEFF Research Database (Denmark)

    Lima, F. Anderson S.; Beliatis, Michail J.; Roth, Bérenger

    2016-01-01

    Solution processable semiconductor oxides have opened a new paradigm for theenhancement of the lifetime of thin film solar cells. Their fabrication by low-costand environmentally friendly solution-processable methods makes them ideal barrier(hole and electron) transport layers. In this work, we f...

  6. 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)

  7. 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

  8. 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

  9. 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.

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

    KAUST Repository

    Bisetti, Fabrizio; El Morsli, Mbark

    2014-01-01

    The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which

  11. 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

  12. 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.

  13. 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

  14. 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.

  15. 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,

  16. Hydrogeochemistry and simulated solute transport, Piceance Basin, northwestern Colorado

    Science.gov (United States)

    Robson, S.G.; Saulnier, G.J.

    1981-01-01

    Oil-shale mining activities in Piceance basin in northwestern Colorado could adversely affect the ground- and surface-water quality in the basin. This study of the hydrology and geochemistry of the area used ground-water solute-transport-modeling techniques to investigate the possible impact of the mines on water quality. Maps of the extent and structure of the aquifer were prepared and show that a saturated thickness of 2,000 feet occurs in the northeast part of the basin. Ground-water recharge in the upland areas in the east, south, and west parts of the basin moves down into deeper zones in the aquifer and laterally to the discharge areas along Piceance and Yellow Creeks. The saline zone and the unsaturated zone provide the majority of the dissolved solids found in the ground water. Precipitation, ion-exchange, and oxidation-reduction reactions are also occuring in the aquifer. Model simulations of ground-water pumpage in tracts C-a and C-b indicate that the altered direction of ground-water movement near the pumped mines will cause an improvement in ground-water quality near the mines and a degradation of water quality downgradient from the tracts. Model simulations of mine leaching in tract C-a and C-b indicate that equal rates of mine leaching in the tracts will produce much different effects on the water quality in the basin. Tract C-a, by virtue of its remote location from perennial streams, will primarily degrade the ground-water quality over a large area to the northeast of the tract. Tract C-b, by contrast, will primarily degrade the surface-water quality in Piceance Creek, with only localized effects on the ground-water quality. (USGS)

  17. Peritoneal Fluid Transport rather than Peritoneal Solute Transport Associates with Dialysis Vintage and Age of Peritoneal Dialysis Patients

    Directory of Open Access Journals (Sweden)

    Jacek Waniewski

    2016-01-01

    Full Text Available During peritoneal dialysis (PD, the peritoneal membrane undergoes ageing processes that affect its function. Here we analyzed associations of patient age and dialysis vintage with parameters of peritoneal transport of fluid and solutes, directly measured and estimated based on the pore model, for individual patients. Thirty-three patients (15 females; age 60 (21–87 years; median time on PD 19 (3–100 months underwent sequential peritoneal equilibration test. Dialysis vintage and patient age did not correlate. Estimation of parameters of the two-pore model of peritoneal transport was performed. The estimated fluid transport parameters, including hydraulic permeability (LpS, fraction of ultrasmall pores (αu, osmotic conductance for glucose (OCG, and peritoneal absorption, were generally independent of solute transport parameters (diffusive mass transport parameters. Fluid transport parameters correlated whereas transport parameters for small solutes and proteins did not correlate with dialysis vintage and patient age. Although LpS and OCG were lower for older patients and those with long dialysis vintage, αu was higher. Thus, fluid transport parameters—rather than solute transport parameters—are linked to dialysis vintage and patient age and should therefore be included when monitoring processes linked to ageing of the peritoneal membrane.

  18. Peritoneal Fluid Transport rather than Peritoneal Solute Transport Associates with Dialysis Vintage and Age of Peritoneal Dialysis Patients

    Science.gov (United States)

    Waniewski, Jacek; Antosiewicz, Stefan; Baczynski, Daniel; Poleszczuk, Jan; Pietribiasi, Mauro; Lindholm, Bengt; Wankowicz, Zofia

    2016-01-01

    During peritoneal dialysis (PD), the peritoneal membrane undergoes ageing processes that affect its function. Here we analyzed associations of patient age and dialysis vintage with parameters of peritoneal transport of fluid and solutes, directly measured and estimated based on the pore model, for individual patients. Thirty-three patients (15 females; age 60 (21–87) years; median time on PD 19 (3–100) months) underwent sequential peritoneal equilibration test. Dialysis vintage and patient age did not correlate. Estimation of parameters of the two-pore model of peritoneal transport was performed. The estimated fluid transport parameters, including hydraulic permeability (LpS), fraction of ultrasmall pores (α u), osmotic conductance for glucose (OCG), and peritoneal absorption, were generally independent of solute transport parameters (diffusive mass transport parameters). Fluid transport parameters correlated whereas transport parameters for small solutes and proteins did not correlate with dialysis vintage and patient age. Although LpS and OCG were lower for older patients and those with long dialysis vintage, αu was higher. Thus, fluid transport parameters—rather than solute transport parameters—are linked to dialysis vintage and patient age and should therefore be included when monitoring processes linked to ageing of the peritoneal membrane. PMID:26989432

  19. 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

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. Irreversible electron attachment--a key to DNA damage by solvated electrons in aqueous solution.

    Science.gov (United States)

    Westphal, K; Wiczk, J; Miloch, J; Kciuk, G; Bobrowski, K; Rak, J

    2015-11-07

    The TYT and TXT trimeric oligonucleotides, where X stands for a native nucleobase, T (thymine), C (cytosine), A (adenine), or G (guanine), and Y indicates a brominated analogue of the former, were irradiated with ionizing radiation generated by a (60)Co source in aqueous solutions containing Tris as a hydroxyl radical scavenger. In the past, these oligomers were bombarded with low energy electrons under an ultra-high vacuum and significant damage to TXT trimers was observed. However, in aqueous solution, hydrated electrons do not produce serious damage to TXT trimers although the employed radiation dose exceeded many times the doses used in radiotherapy. Thus, our studies demonstrate unequivocally that hydrated electrons, which are the major form of electrons generated during radiotherapy, are a negligible factor in damage to native DNA. It was also demonstrated that all the studied brominated nucleobases have a potential to sensitize DNA under hypoxic conditions. Strand breaks, abasic sites and the products of hydroxyl radical attachment to nucleobases have been identified by HPLC and LC-MS methods. Although all the bromonucleobases lead to DNA damage under the experimental conditions of the present work, bromopyrimidines seem to be the radiosensitizers of choice since they lead to more strand breaks than bromopurines.

  7. 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

  8. 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)

  9. 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.)

  10. 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

  11. 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.

  12. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-01-15

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

  14. 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.

  15. 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)

  16. Nonlinear transport behavior of low dimensional electron systems

    Science.gov (United States)

    Zhang, Jingqiao

    The nonlinear behavior of low-dimensional electron systems attracts a great deal of attention for its fundamental interest as well as for potentially important applications in nanoelectronics. In response to microwave radiation and dc bias, strongly nonlinear electron transport that gives rise to unusual electron states has been reported in two-dimensional systems of electrons in high magnetic fields. There has also been great interest in the nonlinear response of quantum ballistic constrictions, where the effects of quantum interference, spatial dispersion and electron-electron interactions play crucial roles. In this thesis, experimental results of the research of low dimensional electron gas systems are presented. The first nonlinear phenomena were observed in samples of highly mobile two dimensional electrons in GaAs heavily doped quantum wells at different magnitudes of DC and AC (10 KHz to 20 GHz) excitations. We found that in the DC excitation regime the differential resistance oscillates with the DC current and external magnetic field, similar behavior was observed earlier in AlGaAs/GaAs heterostructures [C.L. Yang et al. ]. At external AC excitations the resistance is found to be also oscillating as a function of the magnetic field. However the form of the oscillations is considerably different from the DC case. We show that at frequencies below 100 KHz the difference is a result of a specific average of the DC differential resistance during the period of the external AC excitations. Secondly, in similar samples, strong suppression of the resistance by the electric field is observed in magnetic fields at which the Landau quantization of electron motion occurs. The phenomenon survives at high temperatures at which the Shubnikov de Haas oscillations are absent. The scale of the electric fields essential for the effect, is found to be proportional to temperature in the low temperature limit. We suggest that the strong reduction of the longitudinal resistance

  17. Parametric study of transport beam lines for electron beams accelerated by laser-plasma interaction

    Science.gov (United States)

    Scisciò, M.; Lancia, L.; Migliorati, M.; Mostacci, A.; Palumbo, L.; Papaphilippou, Y.; Antici, P.

    2016-03-01

    In the last decade, laser-plasma acceleration of high-energy electrons has attracted strong attention in different fields. Electrons with maximum energies in the GeV range can be laser-accelerated within a few cm using multi-hundreds terawatt (TW) lasers, yielding to very high beam currents at the source (electron bunches with up to tens-hundreds of pC in a few fs). While initially the challenge was to increase the maximum achievable electron energy, today strong effort is put in the control and usability of these laser-generated beams that still lack of some features in order to be used for applications where currently conventional, radio-frequency (RF) based, electron beam lines represent the most common and efficient solution. Several improvements have been suggested for this purpose, some of them acting directly on the plasma source, some using beam shaping tools located downstream. Concerning the latter, several studies have suggested the use of conventional accelerator magnetic devices (such as quadrupoles and solenoids) as an easy implementable solution when the laser-plasma accelerated beam requires optimization. In this paper, we report on a parametric study related to the transport of electron beams accelerated by laser-plasma interaction, using conventional accelerator elements and tools. We focus on both, high energy electron beams in the GeV range, as produced on petawatt (PW) class laser systems, and on lower energy electron beams in the hundreds of MeV range, as nowadays routinely obtained on commercially available multi-hundred TW laser systems. For both scenarios, our study allows understanding what are the crucial parameters that enable laser-plasma accelerators to compete with conventional ones and allow for a beam transport. We show that suitable working points require a tradeoff-combination between low beam divergence and narrow energy spread.

  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 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.

  20. Development of solute transport models in YMPYRÄ framework to simulate solute migration in military shooting and training areas

    Science.gov (United States)

    Warsta, L.; Karvonen, T.

    2017-12-01

    There are currently 25 shooting and training areas in Finland managed by The Finnish Defence Forces (FDF), where military activities can cause contamination of open waters and groundwater reservoirs. In the YMPYRÄ project, a computer software framework is being developed that combines existing open environmental data and proprietary information collected by FDF with computational models to investigate current and prevent future environmental problems. A data centric philosophy is followed in the development of the system, i.e. the models are updated and extended to handle available data from different areas. The results generated by the models are summarized as easily understandable flow and risk maps that can be opened in GIS programs and used in environmental assessments by experts. Substances investigated with the system include explosives and metals such as lead, and both surface and groundwater dominated areas can be simulated. The YMPYRÄ framework is composed of a three dimensional soil and groundwater flow model, several solute transport models and an uncertainty assessment system. Solute transport models in the framework include particle based, stream tube and finite volume based approaches. The models can be used to simulate solute dissolution from source area, transport in the unsaturated layers to groundwater and finally migration in groundwater to water extraction wells and springs. The models can be used to simulate advection, dispersion, equilibrium adsorption on soil particles, solubility and dissolution from solute phase and dendritic solute decay chains. Correct numerical solutions were confirmed by comparing results to analytical 1D and 2D solutions and by comparing the numerical solutions to each other. The particle based and stream tube type solute transport models were useful as they could complement the traditional finite volume based approach which in certain circumstances produced numerical dispersion due to piecewise solution of the

  1. Demonstrations in Solute Transport Using Dyes: Part II. Modeling.

    Science.gov (United States)

    Butters, Greg; Bandaranayake, Wije

    1993-01-01

    A solution of the convection-dispersion equation is used to describe the solute breakthrough curves generated in the demonstrations in the companion paper. Estimation of the best fit model parameters (solute velocity, dispersion, and retardation) is illustrated using the method of moments for an example data set. (Author/MDH)

  2. 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)

  3. 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

  4. A single continuum approximation of the solute transport in fractured porous media

    International Nuclear Information System (INIS)

    Jeong, J.T.; Lee, K.J.

    1992-01-01

    Solute transport in fractured porous media is described by the single continuum model, i.e., equivalent porous medium model. In this model, one-dimensional solute transport in the fracture and two-dimensional solute transport in the porous rock matrix is considered. The network of fractures embedded in the porous rock matrix is idealized as two orthogonally intersecting families of equally spaced, parallel fractures directed at 45 o to the regional groundwater flow direction. Governing equations are solved by the finite element method, and an upstream weighting technique is used in order to prevent the oscillation of the solution in the case of highly advection dominated transport. Breakthrough curves, similar to those of the one-dimensional solute transport problem in ordinary porous media, are obtained as a function of time according to volume or flux averaging of the concentration profile across the width of the flow region. The equivalent parameters, i.e., porosity and overall coefficient of longitudinal dispersivity, are obtained by a trial-and-error method. Analyses for the non-sorbing solute transport case show that within the range of considered parameters, and except for the region very close to the source, application of the single continuum model in the idealized fracture system is sufficient for modeling solute transport in fractured porous media. This numerical scheme is shown to be applicable to a sorbing solute and radionuclide transport. (author)

  5. New methods For Modeling Transport Of Water And Solutes In Soils

    DEFF Research Database (Denmark)

    Møldrup, Per

    Recent models for water and solute transport in unsaturated soils have been mechanistically based but numerically very involved. This dissertation concerns the development of mechanistically-based but numerically simple models for calculating and analyzing transport of water and solutes in soil...

  6. Solute transport by groundwater flow to wetland ecosystems : the environmental impact of human activities

    NARCIS (Netherlands)

    Schot, P.P.

    1991-01-01

    This thesis deals with solute transport by groundwater flow and the way in which solute transport is affected by human activities. This in relation to wetland ecosystems. Wetlands in the eastern part of the Vecht river plain in The Netherlands are historically renown for their great variety of

  7. 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.

  8. 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

  9. 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.

  10. Spatially resolved transport data for electrons in gases: Definition, interpretation and calculation

    International Nuclear Information System (INIS)

    Dujko, S.; White, R.D.; Raspopović, Z.M.; Petrović, Z.Lj.

    2012-01-01

    The spatiotemporal evolution of electron swarms in the presence of electric and magnetic fields is investigated to facilitate understanding temporal and spatial non-locality in low-temperature plasmas. Using two independent techniques, a multi-term solution of Boltzmann’s equation and a Monte Carlo simulation technique, the synergism of an applied magnetic field and non-conservative collisions (ionization and/or electron attachment) is demonstrated as a means to control the non-locality of relaxation processes. In particular, oscillatory features in the spatial and temporal profiles are demonstrated, and shown to be enhanced or suppressed through the magnetic field strength, the angle between the electric and magnetic fields, and the degree of ionization. Finally we discuss the impact of field configurations and strengths on the transport properties, highlighting the distinctions in the measured transport properties between various experimental configurations when non-conservative processes are present.

  11. Comparison of analytical transport and stochastic solutions for neutron slowing down in an infinite medium

    International Nuclear Information System (INIS)

    Jahshan, S.N.; Wemple, C.A.; Ganapol, B.D.

    1993-01-01

    A comparison of the numerical solutions of the transport equation describing the steady neutron slowing down in an infinite medium with constant cross sections is made with stochastic solutions obtained from tracking successive neutron histories in the same medium. The transport equation solution is obtained using a numerical Laplace transform inversion algorithm. The basis for the algorithm is an evaluation of the Bromwich integral without analytical continuation. Neither the transport nor the stochastic solution is limited in the number of scattering species allowed. The medium may contain an absorption component as well. (orig.)

  12. Isolated effects of external bath osmolality, solute concentration, and electrical charge on solute transport across articular cartilage.

    Science.gov (United States)

    Pouran, Behdad; Arbabi, Vahid; Zadpoor, Amir A; Weinans, Harrie

    2016-12-01

    The metabolic function of cartilage primarily depends on transport of solutes through diffusion mechanism. In the current study, we use contrast enhanced micro-computed tomography to determine equilibrium concentration of solutes through different cartilage zones and solute flux in the cartilage, using osteochondral plugs from equine femoral condyles. Diffusion experiments were performed with two solutes of different charge and approximately equal molecular weight, namely iodixanol (neutral) and ioxaglate (charge=-1) in order to isolate the effects of solute's charge on diffusion. Furthermore, solute concentrations as well as bath osmolality were changed to isolate the effects of steric hindrance on diffusion. Bath concentration and bath osmolality only had minor effects on the diffusion of the neutral solute through cartilage at the surface, middle and deep zones, indicating that the diffusion of the neutral solute was mainly Fickian. The negatively charged solute diffused considerably slower through cartilage than the neutral solute, indicating a large non-Fickian contribution in the diffusion of charged molecules. The numerical models determined maximum solute flux in the superficial zone up to a factor of 2.5 lower for the negatively charged solutes (charge=-1) as compared to the neutral solutes confirming the importance of charge-matrix interaction in diffusion of molecules across cartilage. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

  13. 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.)

  14. 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

  15. 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.

  16. Effects of turbulent hyporheic mixing on reach-scale solute transport

    Science.gov (United States)

    Roche, K. R.; Li, A.; Packman, A. I.

    2017-12-01

    Turbulence rapidly mixes solutes and fine particles into coarse-grained streambeds. Both hyporheic exchange rates and spatial variability of hyporheic mixing are known to be controlled by turbulence, but it is unclear how turbulent mixing influences mass transport at the scale of stream reaches. We used a process-based particle-tracking model to simulate local- and reach-scale solute transport for a coarse-bed stream. Two vertical mixing profiles, one with a smooth transition from in-stream to hyporheic transport conditions and a second with enhanced turbulent transport at the sediment-water interface, were fit to steady-state subsurface concentration profiles observed in laboratory experiments. The mixing profile with enhanced interfacial transport better matched the observed concentration profiles and overall mass retention in the streambed. The best-fit mixing profiles were then used to simulate upscaled solute transport in a stream. Enhanced mixing coupled in-stream and hyporheic solute transport, causing solutes exchanged into the shallow subsurface to have travel times similar to the water column. This extended the exponential region of the in-stream solute breakthrough curve, and delayed the onset of the heavy power-law tailing induced by deeper and slower hyporheic porewater velocities. Slopes of observed power-law tails were greater than those predicted from stochastic transport theory, and also changed in time. In addition, rapid hyporheic transport velocities truncated the hyporheic residence time distribution by causing mass to exit the stream reach via subsurface advection, yielding strong exponential tempering in the in-stream breakthrough curves at the timescale of advective hyporheic transport through the reach. These results show that strong turbulent mixing across the sediment-water interface violates the conventional separation of surface and subsurface flows used in current models for solute transport in rivers. Instead, the full distribution of

  17. Affordable Freight Logistics Transport Information Management Optimisation and Asset Tracking Solution Using Smartphone GPS Capabilities

    Science.gov (United States)

    Muna, Joseph T.; Prescott, Kevin

    2011-08-01

    Traditionally, freight transport and telematics solutions that exploit the GPS capabilities of in- vehicle devices to provide innovative Location Based Services (LBS) including track and trace transport systems have been the preserve of a select cluster of transport operators and organisations with the financial resources to develop the requisite custom software and hardware on which they are deployed. The average cost of outfitting a typical transport vehicle or truck with the latest Intelligent Transport System (ITS) increases the cost of the vehicle by anything from a couple to several thousand Euros, depending on the complexity and completeness of the solution. Though this does not generally deter large fleet transport owners since they typically get Return on Investment (ROI) based on economies of scale, it presents a barrier for the smaller independent entities that constitute the majority of freight transport operators [1].The North Sea Freight Intelligent Transport Solution (NS FRITS), a project co-funded by the European Commission Interreg IVB North Sea Region Programme, aims to make acquisition of such transport solutions easier for those organisations that cannot afford the expensive, bespoke systems used by their larger competitors.The project addresses transport security threats by developing a system capable of informing major actors along the freight logistics supply chain, of changing circumstances within the region's major transport corridors and between transport modes. The project also addresses issues of freight volumes, inter-modality, congestion and eco-mobility [2].

  18. Fluid flow and convective transport of solutes within the intervertebral disc

    NARCIS (Netherlands)

    Ferguson, S.J.; Ito, K.; Nolte, L.P.

    2004-01-01

    Previous experimental and analytical studies of solute transport in the intervertebral disc have demonstrated that for small molecules diffusive transport alone fulfils the nutritional needs of disc cells. It has been often suggested that fluid flow into and within the disc may enhance the transport

  19. Water flow and solute transport in floating fen root mats

    Science.gov (United States)

    Stofberg, Sija F.; EATM van der Zee, Sjoerd

    2015-04-01

    be very similar and likely functionally related. Our experimental field data were used for modelling water flow and solute transport in floating fens, using HYDRUS 2D. Fluctuations of surface water and root mat, as well as geometry and unsaturated zone parameters can have a major influence on groundwater fluctuations and the exchange between rain and surface water and the water in the root mats. In combination with the duration of salt pulses in surface water, and sensitivity of fen plants to salinity (Stofberg et al. 2014, submitted), risks for rare plants can be anticipated.

  20. 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

  1. New diffusion-like solutions of one-speed transport equations in spherical geometry

    International Nuclear Information System (INIS)

    Sahni, D.C.

    1988-01-01

    Stationary, one-speed, spherically symmetric transport equations are considered in a conservative medium. Closed-form expressions are obtained for the angular flux ψ(r, μ) that yield a total flux varying as 1/r by using Sonine transforms. Properties of this solution are studied and it is shown that the solution can not be identified as a diffusion mode solution of the transport equation. Limitations of the Sonine transform technique are noted. (author)

  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. Solution-printed organic semiconductor blends exhibiting transport properties on par with single crystals.

    Science.gov (United States)

    Niazi, Muhammad R; Li, Ruipeng; Qiang Li, Er; Kirmani, Ahmad R; Abdelsamie, Maged; Wang, Qingxiao; Pan, Wenyang; Payne, Marcia M; Anthony, John E; Smilgies, Detlef-M; Thoroddsen, Sigurdur T; Giannelis, Emmanuel P; Amassian, Aram

    2015-11-23

    Solution-printed organic semiconductors have emerged in recent years as promising contenders for roll-to-roll manufacturing of electronic and optoelectronic circuits. The stringent performance requirements for organic thin-film transistors (OTFTs) in terms of carrier mobility, switching speed, turn-on voltage and uniformity over large areas require performance currently achieved by organic single-crystal devices, but these suffer from scale-up challenges. Here we present a new method based on blade coating of a blend of conjugated small molecules and amorphous insulating polymers to produce OTFTs with consistently excellent performance characteristics (carrier mobility as high as 6.7 cm(2) V(-1) s(-1), low threshold voltages oforganic semiconductor films with transport properties and other figures of merit on par with their single-crystal counterparts.

  4. A biomechanical triphasic approach to the transport of nondilute solutions in articular cartilage.

    Science.gov (United States)

    Abazari, Alireza; Elliott, Janet A W; Law, Garson K; McGann, Locksley E; Jomha, Nadr M

    2009-12-16

    Biomechanical models for biological tissues such as articular cartilage generally contain an ideal, dilute solution assumption. In this article, a biomechanical triphasic model of cartilage is described that includes nondilute treatment of concentrated solutions such as those applied in vitrification of biological tissues. The chemical potential equations of the triphasic model are modified and the transport equations are adjusted for the volume fraction and frictional coefficients of the solutes that are not negligible in such solutions. Four transport parameters, i.e., water permeability, solute permeability, diffusion coefficient of solute in solvent within the cartilage, and the cartilage stiffness modulus, are defined as four degrees of freedom for the model. Water and solute transport in cartilage were simulated using the model and predictions of average concentration increase and cartilage weight were fit to experimental data to obtain the values of the four transport parameters. As far as we know, this is the first study to formulate the solvent and solute transport equations of nondilute solutions in the cartilage matrix. It is shown that the values obtained for the transport parameters are within the ranges reported in the available literature, which confirms the proposed model approach.

  5. 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.

  6. 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

  7. 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

  8. The next generation in optical transport semiconductors: IC solutions at the system level

    Science.gov (United States)

    Gomatam, Badri N.

    2005-02-01

    In this tutorial overview, we survey some of the challenging problems facing Optical Transport and their solutions using new semiconductor-based technologies. Advances in 0.13um CMOS, SiGe/HBT and InP/HBT IC process technologies and mixed-signal design strategies are the fundamental breakthroughs that have made these solutions possible. In combination with innovative packaging and transponder/transceiver architectures IC approaches have clearly demonstrated enhanced optical link budgets with simultaneously lower (perhaps the lowest to date) cost and manufacturability tradeoffs. This paper will describe: *Electronic Dispersion Compensation broadly viewed as the overcoming of dispersion based limits to OC-192 links and extending link budgets, *Error Control/Coding also known as Forward Error Correction (FEC), *Adaptive Receivers for signal quality monitoring for real-time estimation of Q/OSNR, eye-pattern, signal BER and related temporal statistics (such as jitter). We will discuss the theoretical underpinnings of these receiver and transmitter architectures, provide examples of system performance and conclude with general market trends. These Physical layer IC solutions represent a fundamental new toolbox of options for equipment designers in addressing systems level problems. With unmatched cost and yield/performance tradeoffs, it is expected that IC approaches will provide significant flexibility in turn, for carriers and service providers who must ultimately manage the network and assure acceptable quality of service under stringent cost constraints.

  9. 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

  10. One-dimensional spatially dependent solute transport in semi ...

    African Journals Online (AJOL)

    Space dependent retardation factor is also taken. The nature of porous media and solute pollutant are considered chemically non-reactive. Initially porous domain is considered solute free and the input source condition is considered uniformly continuous. A new transformation is introduced to solve the advection dispersion ...

  11. 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)

  12. 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

  13. 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.

  14. 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.

  15. UrbanTransport Solution An Experience From Prague

    African Journals Online (AJOL)

    unique firstlady

    Based on the result of the research ... associated with road transport like its impact on environment ..... Prague is utilizing a variety of marketing strategies used for many years in ... at strategic metro stations providing customers with maps , time ...

  16. 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

  17. 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)

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Entanglements in Marginal Solutions: A Means of Tuning Pre-Aggregation of Conjugated Polymers with Positive Implications for Charge Transport

    KAUST Repository

    Hu, Hanlin

    2015-06-17

    The solution-processing of conjugated polymers, just like commodity polymers, is subject to solvent and molecular weight-dependent solubility, interactions and chain entanglements within the polymer, all of which can influence the crystallization and microstructure development in semi-crystalline polymers and consequently affect charge transport and optoelectronic properties. Disentanglement of polymer chains in marginal solvents was reported to work via ultrasonication, facilitating the formation of photophysically ordered polymer aggregates. In this contribution, we explore how a wide range of technologically relevant solvents and formulations commonly used in organic electronics influence chain entanglement and the aggregation behaviour of P3HT using a combination of rheological and spectrophotometric measurements. The specific viscosity of the solution offers an excellent indication of the degree of entanglements in the solution, which is found to be related to the solubility of P3HT in a given solvent. Moreover, deliberately disentangling the solution in the presence of solvophobic driving forces, leads consistently to formation of photophysically visible aggregates which is indicative of local and perhaps long range order in the solute. We show for a broad range of solvents and molecular weights that disentanglement ultimately leads to significant ordering of the polymer in the solid state and a commensurate increase in charge transport properties. In doing so we demonstrate a remarkable ability to tune the microstructure which has important implications for transport properties. We discuss its potential implications in the context of organic photovoltaics.

  4. Entanglements in Marginal Solutions: A Means of Tuning Pre-Aggregation of Conjugated Polymers with Positive Implications for Charge Transport

    KAUST Repository

    Hu, Hanlin; Zhao, Kui; Fernandes, Nikhil J.; Boufflet, Pierre; Bannock, James Henry; Yu, Liyang; de Mello, John C; Stingelin, Natalie; Heeney, Martin; Giannelis, Emmanuel P.; Amassian, Aram

    2015-01-01

    The solution-processing of conjugated polymers, just like commodity polymers, is subject to solvent and molecular weight-dependent solubility, interactions and chain entanglements within the polymer, all of which can influence the crystallization and microstructure development in semi-crystalline polymers and consequently affect charge transport and optoelectronic properties. Disentanglement of polymer chains in marginal solvents was reported to work via ultrasonication, facilitating the formation of photophysically ordered polymer aggregates. In this contribution, we explore how a wide range of technologically relevant solvents and formulations commonly used in organic electronics influence chain entanglement and the aggregation behaviour of P3HT using a combination of rheological and spectrophotometric measurements. The specific viscosity of the solution offers an excellent indication of the degree of entanglements in the solution, which is found to be related to the solubility of P3HT in a given solvent. Moreover, deliberately disentangling the solution in the presence of solvophobic driving forces, leads consistently to formation of photophysically visible aggregates which is indicative of local and perhaps long range order in the solute. We show for a broad range of solvents and molecular weights that disentanglement ultimately leads to significant ordering of the polymer in the solid state and a commensurate increase in charge transport properties. In doing so we demonstrate a remarkable ability to tune the microstructure which has important implications for transport properties. We discuss its potential implications in the context of organic photovoltaics.

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. ITS Version 3.0: The Integrated TIGER Series of coupled electron/photon Monte Carlo transport codes

    International Nuclear Information System (INIS)

    Halbleib, J.A.; Kensek, R.P.; Valdez, G.D.; Mehlhorn, T.A.; Seltzer, S.M.; Berger, M.J.

    1993-01-01

    ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields. It combines operational simplicity and physical accuracy in order to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Flexibility of construction permits tailoring of the codes to specific applications and extension of code capabilities to more complex applications through simple update procedures

  15. ITS Version 3.0: The Integrated TIGER Series of coupled electron/photon Monte Carlo transport codes

    Energy Technology Data Exchange (ETDEWEB)

    Halbleib, J.A.; Kensek, R.P.; Valdez, G.D.; Mehlhorn, T.A. [Sandia National Labs., Albuquerque, NM (United States); Seltzer, S.M.; Berger, M.J. [National Inst. of Standards and Technology, Gaithersburg, MD (United States). Ionizing Radiation Div.

    1993-06-01

    ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields. It combines operational simplicity and physical accuracy in order to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Flexibility of construction permits tailoring of the codes to specific applications and extension of code capabilities to more complex applications through simple update procedures.

  16. 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.

  17. 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.

  18. 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

  19. Electrical transport, electrothermal transport, and effective electron mass in single-crystalline In2O3 films

    Science.gov (United States)

    Preissler, Natalie; Bierwagen, Oliver; Ramu, Ashok T.; Speck, James S.

    2013-08-01

    A comprehensive study of the room-temperature electrical and electrothermal transport of single-crystalline indium oxide (In2O3) and indium tin oxide (ITO) films over a wide range of electron concentrations is reported. We measured the room-temperature Hall mobility μH and Seebeck coefficient S of unintentionally doped and Sn-doped high-quality, plasma-assisted molecular-beam-epitaxy-grown In2O3 for volume Hall electron concentrations nH from 7×1016 cm-3 (unintentionally doped) to 1×1021 cm-3 (highly Sn-doped, ITO). The resulting empirical S(nH) relation can be directly used in other In2O3 samples to estimate the volume electron concentration from simple Seebeck coefficient measurements. The mobility and Seebeck coefficient were modeled by a numerical solution of the Boltzmann transport equation. Ionized impurity scattering and polar optical phonon scattering were found to be the dominant scattering mechanisms. Acoustic phonon scattering was found to be negligible. Fitting the temperature-dependent mobility above room temperature of an In2O3 film with high mobility allowed us to find the effective Debye temperature (ΘD=700 K) and number of phonon modes (NOPML=1.33) that best describe the polar optical phonon scattering. The modeling also yielded the Hall scattering factor rH as a function of electron concentration, which is not negligible (rH≈1.4) at nondegenerate electron concentrations. Fitting the Hall-scattering-factor corrected concentration-dependent Seebeck coefficient S(n) for nondegenerate samples to the numerical solution of the Boltzmann transport equation and to widely used, simplified equations allowed us to extract an effective electron mass of m*=(0.30±0.03)me (with free electron mass me). The modeled mobility and Seebeck coefficient based on polar optical phonon and ionized impurity scattering describes the experimental results very accurately up to electron concentrations of 1019 cm-3, and qualitatively explains a mobility plateau or local

  20. The momentum transfer cross section and transport coefficients for low energy electrons in mercury

    International Nuclear Information System (INIS)

    McEachran, R P; Elford, M T

    2003-01-01

    The momentum transfer cross section for electrons incident on mercury atoms has been determined from the solution of Dirac-Fock scattering equations which included both static and dynamic multipole polarization potentials as well as full anti-symmetrization to incorporate exchange effects. This cross section is in excellent agreement between 0.2 and 3.0 eV with the cross section derived from the most recent experimental measurements. The discrepancy below 0.2 eV has been investigated using two-term transport theory

  1. 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.

  2. Light-driven solute transport in Halobacterium halobium

    Science.gov (United States)

    Lanyi, J. K.

    1979-01-01

    The cell membrane of Halobacterium halobium exhibits differential regions which contain crystalline arrays of a single kind of protein, termed bacteriorhodopsin. This bacterial retinal-protein complex resembles the visual pigment and, after the absorption of protons, translocates H(+) across the cell membrane, leading to an electrochemical gradient for protons between the inside and the outside of the cell. Thus, light is an alternate source of energy in these bacteria, in addition to terminal oxidation. The paper deals with work on light-driven transport in H. halobium with cell envelope vesicles. The discussion covers light-driven movements of H(+), Na(+), and K(+); light-driven amino acid transport; and apparent allosteric control of amino acid transport. The scheme of energy coupling in H. halobium vesicles appears simple, its quantitative details are quite complex and reveal regulatory phenomena. More knowledge is required of the way the coupling components are regulated by the ion gradients present.

  3. 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

  4. 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.

  5. 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

  6. 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

  7. Brine transport in porous media self-similar solutions

    NARCIS (Netherlands)

    C.J. van Duijn (Hans); L.A. Peletier (Bert); R.J. Schotting (Ruud)

    1996-01-01

    textabstractIn this paper we analyze a model for brine transport in porous media, which includes a mass balance for the fluid, a mass balance for salt, Darcy's law and an equation of state, which relates the fluid density to the salt mass fraction. This model incorporates the effect of local volume

  8. UrbanTransport Solution An Experience From Prague | Jeremiah ...

    African Journals Online (AJOL)

    This paper examines the urban transport problems in Prague in Czech Republic. Based on the result of the research conducted, it was found that with the collapsed of Communism in Czech Republic, there was an upsurge in the use of private cars which was not possible during communism because the law does not ...

  9. Solute transport through porous media using asymptotic dispersivity

    Indian Academy of Sciences (India)

    ber of processes and porous media properties including convective transport .... existence of regions within the porous medium in which there is minimum advective flow. .... concentration at x = L. The initial and the exit boundary conditions can be .... rial was cleaned, washed and dried to ensure that the material free from ...

  10. 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

  11. 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.)

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. Reactive solute transport in an asymmetrical fracture-rock matrix system

    Science.gov (United States)

    Zhou, Renjie; Zhan, Hongbin

    2018-02-01

    The understanding of reactive solute transport in a single fracture-rock matrix system is the foundation of studying transport behavior in the complex fractured porous media. When transport properties are asymmetrically distributed in the adjacent rock matrixes, reactive solute transport has to be considered as a coupled three-domain problem, which is more complex than the symmetric case with identical transport properties in the adjacent rock matrixes. This study deals with the transport problem in a single fracture-rock matrix system with asymmetrical distribution of transport properties in the rock matrixes. Mathematical models are developed for such a problem under the first-type and the third-type boundary conditions to analyze the spatio-temporal concentration and mass distribution in the fracture and rock matrix with the help of Laplace transform technique and de Hoog numerical inverse Laplace algorithm. The newly acquired solutions are then tested extensively against previous analytical and numerical solutions and are proven to be robust and accurate. Furthermore, a water flushing phase is imposed on the left boundary of system after a certain time. The diffusive mass exchange along the fracture/rock matrixes interfaces and the relative masses stored in each of three domains (fracture, upper rock matrix, and lower rock matrix) after the water flushing provide great insights of transport with asymmetric distribution of transport properties. This study has the following findings: 1) Asymmetric distribution of transport properties imposes greater controls on solute transport in the rock matrixes. However, transport in the fracture is mildly influenced. 2) The mass stored in the fracture responses quickly to water flushing, while the mass stored in the rock matrix is much less sensitive to the water flushing. 3) The diffusive mass exchange during the water flushing phase has similar patterns under symmetric and asymmetric cases. 4) The characteristic distance

  17. The effect of low-GDP solution on ultrafiltration and solute transport in continuous ambulatory peritoneal dialysis patients.

    Science.gov (United States)

    Cho, Kyu-Hyang; Do, Jun-Young; Park, Jong-Won; Yoon, Kyung-Woo; Kim, Yong-Lim

    2013-01-01

    Several studies have reported benefits for human peritoneal mesothelial cell function of a neutral-pH dialysate low in glucose degradation products (GDPs). However, the effects of low-GDP solution on ultrafiltration (UF), transport of solutes, and control of body water remain elusive. We therefore investigated the effect of low-GDP solution on UF, solute transport, and control of body water. Among 79 new continuous ambulatory peritoneal dialysis (CAPD) patients, 60 completed a 12-month protocol (28 in a lactate-based high-GDP solution group, 32 in a lactate-based low-GDP solution group). Clinical indices--including 24-hour UF volume (UFV), 24-hour urine volume (UV), residual renal function, and dialysis adequacy--were measured at months 1, 6, and 12. At months 1, 6, and 12, UFV, glucose absorption, 4-hour dialysate-to-plasma (D/P) creatinine, and 1-hour D/P Na(+) were assessed during a modified 4.25% peritoneal equilibration test (PET). Body composition by bioelectric impedance analysis was measured at months 1 and 12 in 26 CAPD patients. Daily UFV was lower in the low-GDP group. Despite similar solute transport and aquaporin function, the low-GDP group also showed lower UFV and higher glucose absorption during the PET. Factors associated with UFV during the PET were lactate-based high-GDP solution and 1-hour D/P Na(+). No differences in volume status and obesity at month 12 were observed, and improvements in hypervolemia were equal in both groups. Compared with the high-GDP group, the low-GDP group had a lower UFV during a PET and a lower daily UFV during the first year after peritoneal dialysis initiation. Although the low-GDP group had a lower daily UFV, no difficulties in controlling edema were encountered.

  18. Analytical solution for heat conduction problem in composite slab and its implementation in constructal solution for cooling of electronics

    International Nuclear Information System (INIS)

    Kuddusi, Luetfullah; Denton, Jesse C.

    2007-01-01

    The constructal solution for cooling of electronics requires solution of a fundamental heat conduction problem in a composite slab composed of a heat generating slab and a thin strip of high conductivity material that is responsible for discharging the generated heat to a heat sink located at one end of the strip. The fundamental 2D heat conduction problem is solved analytically by applying an integral transform method. The analytical solution is then employed in a constructal solution, following Bejan, for cooling of electronics. The temperature and heat flux distributions of the elemental heat generating slabs are assumed to be the same as those of the analytical solution in all the elemental volumes and the high conductivity strips distributed in the different constructs. Although the analytical solution of the fundamental 2D heat conduction problem improves the accuracy of the distributions in the elemental slabs, the results following Bejan's strategy do not affirm the accuracy of Bejan's constructal solution itself as applied to this problem of cooling of electronics. Several different strategies are possible for developing a constructal solution to this problem as is indicated

  19. Diverging diamond interchange, results from the right transportation solution survey : staff summary, January 2010.

    Science.gov (United States)

    2010-01-01

    Based on the results from this research, MoDOT can confidently state that the diverging diamond was the right transportation solution for the Interstate 44 and Route 13 intersection. The overall results show: Most Springfield area residents were ...

  20. Exact and Numerical Solutions of a Spatially-Distributed Mathematical Model for Fluid and Solute Transport in Peritoneal Dialysis

    Directory of Open Access Journals (Sweden)

    Roman Cherniha

    2016-06-01

    Full Text Available The nonlinear mathematical model for solute and fluid transport induced by the osmotic pressure of glucose and albumin with the dependence of several parameters on the hydrostatic pressure is described. In particular, the fractional space available for macromolecules (albumin was used as a typical example and fractional fluid void volume were assumed to be different functions of hydrostatic pressure. In order to find non-uniform steady-state solutions analytically, some mathematical restrictions on the model parameters were applied. Exact formulae (involving hypergeometric functions for the density of fluid flux from blood to tissue and the fluid flux across tissues were constructed. In order to justify the applicability of the analytical results obtained, a wide range of numerical simulations were performed. It was found that the analytical formulae can describe with good approximation the fluid and solute transport (especially the rate of ultrafiltration for a wide range of values of the model parameters.

  1. Analysis of the Sodium Recirculation Theory of Solute Coupled Water Transport in Small Intestine

    DEFF Research Database (Denmark)

    Larsen, E. H.; Sørensen, Jens Nørkær; Sørensen, J. B.

    2002-01-01

    Our previous mathematical model of solute-coupled water transport through the intestinal epithelium is extended for dealing with electrolytes rather than electroneutral solutes. A 3Na+-2K+ pump in the lateral membranes provides the energy-requiring step for driving transjunctional and translateral......, computations predict that the concentration differences between lis and bathing solutions are small for all three ions. Nevertheless, the diffusion fluxes of the ions out of lis significantly exceed their mass transports. It is concluded that isotonic transport requires recirculation of all three ions....... The computed sodium recirculation flux that is required for isotonic transport corresponds to that estimated in experiments on toad small intestine. This result is shown to be robust and independent of whether the apical entrance mechanism for the sodium ion is a channel, a SGLT1 transporter driving inward...

  2. Brain washing : Transport of cerebral extracellular fluids and solutes

    NARCIS (Netherlands)

    Bedussi, B.

    2017-01-01

    Regulation of extracellular volume and fluid composition provides a robust microenvironment for brain cells. In peripheral tissue, fluid surplus and solutes are removed from the interstitium via drainage into lymphatic channels. Since the central nervous system lacks a proper lymphatic vasculature,

  3. Fluid flow and convective transport of solutes within the intervertebral disc.

    Science.gov (United States)

    Ferguson, Stephen J; Ito, Keita; Nolte, Lutz P

    2004-02-01

    Previous experimental and analytical studies of solute transport in the intervertebral disc have demonstrated that for small molecules diffusive transport alone fulfils the nutritional needs of disc cells. It has been often suggested that fluid flow into and within the disc may enhance the transport of larger molecules. The goal of the study was to predict the influence of load-induced interstitial fluid flow on mass transport in the intervertebral disc. An iterative procedure was used to predict the convective transport of physiologically relevant molecules within the disc. An axisymmetric, poroelastic finite-element structural model of the disc was developed. The diurnal loading was divided into discrete time steps. At each time step, the fluid flow within the disc due to compression or swelling was calculated. A sequentially coupled diffusion/convection model was then employed to calculate solute transport, with a constant concentration of solute being provided at the vascularised endplates and outer annulus. Loading was simulated for a complete diurnal cycle, and the relative convective and diffusive transport was compared for solutes with molecular weights ranging from 400 Da to 40 kDa. Consistent with previous studies, fluid flow did not enhance the transport of low-weight solutes. During swelling, interstitial fluid flow increased the unidirectional penetration of large solutes by approximately 100%. Due to the bi-directional temporal nature of disc loading, however, the net effect of convective transport over a full diurnal cycle was more limited (30% increase). Further study is required to determine the significance of large solutes and the timing of their delivery for disc physiology.

  4. TLC scheme for numerical solution of the transport equation on equilateral triangular meshes

    International Nuclear Information System (INIS)

    Walters, W.F.

    1983-01-01

    A new triangular linear characteristic TLC scheme for numerically solving the transport equation on equilateral triangular meshes has been developed. This scheme uses the analytic solution of the transport equation in the triangle as its basis. The data on edges of the triangle are assumed linear as is the source representation. A characteristic approach or nodal approach is used to obtain the analytic solution. Test problems indicate that the new TLC is superior to the widely used DITRI scheme for accuracy

  5. Water flow and solute transport through fractured rock

    International Nuclear Information System (INIS)

    Bolt, J.E.; Bourke, P.J.; Pascoe, D.M.; Watkins, V.M.B.; Kingdon, R.D.

    1990-09-01

    In densely fractured slate at the Nirex research site in Cornwall, the positions, orientations and hydraulic conductivities of the 380 fractures intersecting a drill hole between 9 and 50 m depth have been individually measured. These data have been used: to determine the dimensions of statistically representative volumes of the network of fractures and to predict, using discrete flow path modelling and the NAPSAC code, the total flows into the fractures when large numbers are simultaneously pressurised along various lengths of the hole. Corresponding measurements, which validated the NAPSAC code to factor of two accuracy for the Cornish site, are reported. Possibilities accounting for this factor are noted for experimental investigation, and continuing, more extensive, inter hole flow and transport measurements are outlined. The application of this experimental and theoretical approach for calculating radionuclide transport in less densely fractured rock suitable for waste disposal is discussed. (Author)

  6. Water flow and solute transport through fractured rock

    International Nuclear Information System (INIS)

    Bourke, P.J.; Kingdon, R.D.; Bolt, J.E.; Pascoe, D.M.; Watkins, V.M.B.

    1991-01-01

    In densely fractured slate at the Nirex research site in Cornwall, the positions, orientations and hydraulic conductivities of the 380 fractures intersecting a drill hole between 9 and 50 m depths have been individually measured. These data have been used: - to determine the dimensions of statistically representative volumes of the sheetwork of fractures; - to predict; using discrete flowpath modelling and the NAPSAC code; the total flows into the fractures when large numbers are simultaneously pressurised along various lengths of the hole; Corresponding measurements, which proved the modelling and validated the code to factor of two accuracy, are reported. Possibilities accounting for this factor are noted for experimental investigation, and continuing, more extensive inter-hole flow and transport measurements are outlined. The application of this experimental and theoretical approach for calculating radionuclide transport in less densely fractured rock suitable for waste disposal is discussed. 7 figs., 9 refs

  7. 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.

  8. Solution-printed organic semiconductor blends exhibiting transport properties on par with single crystals

    KAUST Repository

    Niazi, Muhammad Rizwan; Li, Ruipeng; Li, Erqiang; Kirmani, Ahmad R.; Abdelsamie, Maged; Wang, Qingxiao; Pan, Wenyang; Payne, Marcia M.; Anthony, John E.; Smilgies, Detlef-M.; Thoroddsen, Sigurdur T; Giannelis, Emmanuel P.; Amassian, Aram

    2015-01-01

    Solution-printed organic semiconductors have emerged in recent years as promising contenders for roll-to-roll manufacturing of electronic and optoelectronic circuits. The stringent performance requirements for organic thin-film transistors (OTFTs) in terms of carrier mobility, switching speed, turn-on voltage and uniformity over large areas require performance currently achieved by organic single-crystal devices, but these suffer from scale-up challenges. Here we present a new method based on blade coating of a blend of conjugated small molecules and amorphous insulating polymers to produce OTFTs with consistently excellent performance characteristics (carrier mobility as high as 6.7 cm2 V−1 s−1, low threshold voltages of<1 V and low subthreshold swings <0.5 V dec−1). Our findings demonstrate that careful control over phase separation and crystallization can yield solution-printed polycrystalline organic semiconductor films with transport properties and other figures of merit on par with their single-crystal counterparts.

  9. Solution-printed organic semiconductor blends exhibiting transport properties on par with single crystals

    KAUST Repository

    Niazi, Muhammad Rizwan

    2015-11-23

    Solution-printed organic semiconductors have emerged in recent years as promising contenders for roll-to-roll manufacturing of electronic and optoelectronic circuits. The stringent performance requirements for organic thin-film transistors (OTFTs) in terms of carrier mobility, switching speed, turn-on voltage and uniformity over large areas require performance currently achieved by organic single-crystal devices, but these suffer from scale-up challenges. Here we present a new method based on blade coating of a blend of conjugated small molecules and amorphous insulating polymers to produce OTFTs with consistently excellent performance characteristics (carrier mobility as high as 6.7 cm2 V−1 s−1, low threshold voltages of<1 V and low subthreshold swings <0.5 V dec−1). Our findings demonstrate that careful control over phase separation and crystallization can yield solution-printed polycrystalline organic semiconductor films with transport properties and other figures of merit on par with their single-crystal counterparts.

  10. 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

  11. Effects of Temperature on Solute Transport Parameters in Differently-Textured Soils at Saturated Condition

    Science.gov (United States)

    Hamamoto, S.; Arihara, M.; Kawamoto, K.; Nishimura, T.; Komatsu, T.; Moldrup, P.

    2014-12-01

    Subsurface warming driven by global warming, urban heat islands, and increasing use of shallow geothermal heating and cooling systems such as the ground source heat pump, potentially causes changes in subsurface mass transport. Therefore, understanding temperature dependency of the solute transport characteristics is essential to accurately assess environmental risks due to increased subsurface temperature. In this study, one-dimensional solute transport experiments were conducted in soil columns under temperature control to investigate effects of temperature on solute transport parameters, such as solute dispersion and diffusion coefficients, hydraulic conductivity, and retardation factor. Toyoura sand, Kaolin clay, and intact loamy soils were used in the experiments. Intact loamy soils were taken during a deep well boring at the Arakawa Lowland in Saitama Prefecture, Japan. In the transport experiments, the core sample with 5-cm diameter and 4-cm height was first isotropically consolidated, whereafter 0.01M KCl solution was injected to the sample from the bottom. The concentrations of K+ and Cl- in the effluents were analyzed by an ion chromatograph to obtain solute breakthrough curves. The solute transport parameters were calculated from the breakthrough curves. The experiments were conducted under different temperature conditions (15, 25, and 40 oC). The retardation factor for the intact loamy soils decreased with increasing temperature, while water permeability increased due to reduced viscosity of water at higher temperature. Opposite, the effect of temperature on solute dispersivity for the intact loamy soils was insignificant. The effects of soil texture on the temperature dependency of the solute transport characteristics will be further investigated from comparison of results from differently-textured samples.

  12. Electron transfer reactions of metal complexes in solution

    International Nuclear Information System (INIS)

    Sutin, N.

    1977-01-01

    A few representative electron-transfer reactions are selected and their kinetic parameters compared with the predictions of activated complex models. Since Taube has presented an elegant treatment of intramolecular electron-transfer reactions, emphasis is on bimolecular reactions. The latter electron-transfer reactions are more complicated to treat theoretically since the geometries of their activated complexes are not as well known as for the intramolecular case. In addition in biomolecular reactions, the work required to bring the two reactants together needs to be calculated. Since both reactants generally carry charges this presents a non-trivial problem at the ionic strengths usually used to study bimolecular electron transfer

  13. Selected specific rates of reactions of transients from water in aqueous solution. Hydrated electron, supplemental data. [Reactions with transients from water, with inorganic solutes, and with solutes

    Energy Technology Data Exchange (ETDEWEB)

    Ross, A.B.

    1975-06-01

    A compilation of rates of reactions of hydrated electrons with other transients and with organic and inorganic solutes in aqueous solution appeared in NSRDS-NBS 43, and covered the literature up to early 1971. This supplement includes additional rates which have been published through July 1973.

  14. Morphologically controlled ZnO nanostructures as electron transport materials in polymer-based organic solar cells

    International Nuclear Information System (INIS)

    Choi, Kyu-Chae; Lee, Eun-Jin; Baek, Youn-Kyoung; Lim, Dong-Chan; Kang, Yong-Cheol; Kim, Yang-Do; Kim, Ki Hyun; Kim, Jae Pil; Kim, Young-Kuk

    2015-01-01

    Highlights: • Enhanced efficiency of solar cells using ZnO nanocrystals for charge transport. • Morphology of the charge transport layer is controlled. • Mixture of nanoparticles and nanorods are advantageous for cell efficiency. - ABSTRACT: The morphology of ZnO electron transport layers based on ZnO nanoparticles were modified with incorporation of ZnO nanorods via their co-deposition from mixed colloidal solution of nanoparticles and nanorods. In particular, the short circuit current density and the fill factor of the constructed photovoltaic device were simultaneously improved by applying mixture of ZnO nanoparticles and nanorods. As a result, a large improvement of power conversion efficiency up to 9% for the inverted organic solar cells having a blend of low band gap polymers and fullerene derivative as an active layer was demonstrated with the morphologically controlled ZnO electron transport layer.

  15. 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

  16. Neutrino-electron scattering and the choice between different MSW solutions of the solar neutrino problem

    International Nuclear Information System (INIS)

    Rosen, S.P.; Gelb, J.M.

    1987-01-01

    We consider the scattering of solar neutrinos by electrons as a means for distinguishing between MSW solutions of the solar neutrino problem. In terms of the ratio R between the observed cross-section and that for pure electron-type neutrinos, we find that some correlation between the value R and the appropriate solution. 9 refs., 3 figs

  17. 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.

  18. 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

  19. The Governor's Challenge: "Building a Stronger Virginia Today": Transportation Visions and Solutions

    Science.gov (United States)

    Baker, Susan

    2008-01-01

    Using STM(Science, Technology, Engineering, Math) education, this emerging workforce will have the chance to creatively solve one of Virginia's biggest challenges: TRANSPORTATION. - Students will be asked to develop alternative transportation systems for the state. This competition will enable teams to work with business mentors to design creative solutions for regional gridlocks and develop other transportation systems to more easily and expediently reach all parts of the Commonwealth.

  20. Exact solution of a coupled spin–electron linear chain composed of localized Ising spins and mobile electrons

    International Nuclear Information System (INIS)

    Čisárová, Jana; Strečka, Jozef

    2014-01-01

    Exact solution of a coupled spin–electron linear chain composed of localized Ising spins and mobile electrons is found. The investigated spin–electron model is exactly solvable by the use of a transfer-matrix method after tracing out the degrees of freedom of mobile electrons delocalized over a couple of interstitial (decorating) sites. The exact ground-state phase diagram reveals an existence of five phases with different number of mobile electrons per unit cell, two of which are ferromagnetic, two are paramagnetic and one is antiferromagnetic. We have studied in particular the dependencies of compressibility and specific heat on temperature and electron density. - Highlights: • A coupled spin–electron chain composed of Ising spins and mobile electrons is exactly solved. • Quantum paramagnetic, ferromagnetic and antiferromagnetic ground states are found. • A compressibility shows a non-monotonous dependence on temperature and electron density. • Thermal dependences of specific heat display two distinct peaks

  1. Exact analytical solutions of continuity equation for electron beams precipitating in Coulomb collisions

    Energy Technology Data Exchange (ETDEWEB)

    Dobranskis, R. R.; Zharkova, V. V., E-mail: valentina.zharkova@northumbria.ac.uk [Department of Mathematics and Information Sciences, University of Northumbria, Newcastle upon Tyne NE1 2XP (United Kingdom)

    2014-06-10

    The original continuity equation (CE) used for the interpretation of the power law energy spectra of beam electrons in flares was written and solved for an electron beam flux while ignoring an additional free term with an electron density. In order to remedy this omission, the original CE for electron flux, considering beam's energy losses in Coulomb collisions, was first differentiated by the two independent variables: depth and energy leading to partial differential equation for an electron beam density instead of flux with the additional free term. The analytical solution of this partial differential continuity equation (PDCE) is obtained by using the method of characteristics. This solution is further used to derive analytical expressions for mean electron spectra for Coulomb collisions and to carry out numeric calculations of hard X-ray (HXR) photon spectra for beams with different parameters. The solutions revealed a significant departure of electron densities at lower energies from the original results derived from the CE for the flux obtained for Coulomb collisions. This departure is caused by the additional exponential term that appeared in the updated solutions for electron differential density leading to its faster decrease at lower energies (below 100 keV) with every precipitation depth similar to the results obtained with numerical Fokker-Planck solutions. The effects of these updated solutions for electron densities on mean electron spectra and HXR photon spectra are also discussed.

  2. Electronic origin of strain effects on solute stabilities in iron

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Wei; Li, Xiangyan; Xu, Yichun, E-mail: xuyichun@issp.ac.cn, E-mail: csliu@issp.ac.cn; Liu, C. S., E-mail: xuyichun@issp.ac.cn, E-mail: csliu@issp.ac.cn [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, P.O. Box 1129, Hefei 230031 (China); Liang, Yunfeng [Environment and Resource System Engineering, Kyoto University, Kyoto 615-8540 (Japan); Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, P.O. Box 1129, Hefei 230031 (China)

    2016-08-21

    Nonuniform strain fields might induce the segregation of alloying solutes and ultimately lead to the mechanical performance degradation of body-centered-cubic (bcc) Fe based steels serving in extreme environments, which is worthy of investigation. In this paper, two typical volume-conserving strains, shear strain (SS) and normal strain (NS), are proposed to investigate the strain effects on solute stabilities in bcc iron by first-principles calculations. For solutes in each transition metal group, the calculated substitution energy change due to SS exhibits a linear dependence on the valence d radius of the solutes, and the slope decreases in an exponential manner as a function of the absolute difference between the Watson's electronegativity of iron and the averaged value of each transition metal group. This regularity is attributed to the Pauli repulsion between the solutes and the nearest neighboring Fe ions modulated by the hybridization of valence d bands and concluded to be originated from the characteristics of valence d bonding between the transition-metal solutes and Fe ions under SS. For main-group and post transition-metal solutes, the considerable drop of substitution energy change due to NS is concluded to be originated from the low-energy side shift of the widened valence s and p bands of the solutes. Our results indicate that the stabilities of substitutional solutes in iron under volume-conserving strain directly correlate with the intrinsic properties of the alloying elements, such as the valence d radius and occupancy, having or not having valence s and p bands.

  3. 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.

  4. 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

  5. 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)

  6. New solution for transport and industrial noise protection through reflective noise barriers

    Directory of Open Access Journals (Sweden)

    Kralov Ivan

    2017-01-01

    Full Text Available A new solution for protection of transportation and industrial noise through reflective noise barriers is proposed and investigated in this study. The new solution combines the advantages of the known barriers and has its own advantages in addition. The preliminary results show a very good level of noise reduction for this type of barriers.

  7. Large time behaviour of oscillatory nonlinear solute transport in porous media

    NARCIS (Netherlands)

    Duijn, van C.J.; Zee, van der S.E.A.T.M.

    2018-01-01

    Oscillations in flow occur under many different situations in natural porous media, due to tidal, daily or seasonal patterns. In this paper, we investigate how such oscillations in flow affect the transport of an initially sharp solute front, if the solute undergoes nonlinear sorption and,

  8. Reactive silica transport in fractured porous media: Analytical solutions for a system of parallel fractures

    Science.gov (United States)

    Yang, Jianwen

    2012-04-01

    A general analytical solution is derived by using the Laplace transformation to describe transient reactive silica transport in a conceptualized 2-D system involving a set of parallel fractures embedded in an impermeable host rock matrix, taking into account of hydrodynamic dispersion and advection of silica transport along the fractures, molecular diffusion from each fracture to the intervening rock matrix, and dissolution of quartz. A special analytical solution is also developed by ignoring the longitudinal hydrodynamic dispersion term but remaining other conditions the same. The general and special solutions are in the form of a double infinite integral and a single infinite integral, respectively, and can be evaluated using Gauss-Legendre quadrature technique. A simple criterion is developed to determine under what conditions the general analytical solution can be approximated by the special analytical solution. It is proved analytically that the general solution always lags behind the special solution, unless a dimensionless parameter is less than a critical value. Several illustrative calculations are undertaken to demonstrate the effect of fracture spacing, fracture aperture and fluid flow rate on silica transport. The analytical solutions developed here can serve as a benchmark to validate numerical models that simulate reactive mass transport in fractured porous media.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. Dopant controlled trap-filling and conductivity enhancement in an electron-transport polymer

    Energy Technology Data Exchange (ETDEWEB)

    Higgins, Andrew, E-mail: aehiggin@princeton.edu, E-mail: kahn@princeton.edu; Kahn, Antoine, E-mail: aehiggin@princeton.edu, E-mail: kahn@princeton.edu [Department of Electrical Engineering, Princeton University, Princeton, New Jersey 08544-5263 (United States); Mohapatra, Swagat K.; Barlow, Stephen; Marder, Seth R. [Center for Organic Photonics and Electronics and School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400 (United States)

    2015-04-20

    Charge transport in organic semiconductors is often inhibited by the presence of tail states that extend into the band gap of a material and act as traps for charge carriers. This work demonstrates the passivation of acceptor tail states by solution processing of ultra-low concentrations of a strongly reducing air-stable organometallic dimer, the pentamethylrhodocene dimer, [RhCp*Cp]{sub 2}, into the electron transport polymer poly([N,N′-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis(dicarboximide) -2,6-diyl]-alt-5,5′-(2,2′-bithiophene)), P(NDI{sub 2}OD-T{sub 2}). Variable-temperature current-voltage measurements of n-doped P(NDI{sub 2}OD-T{sub 2}) are presented with doping concentration varied through two orders of magnitude. Systematic variation of the doping parameter is shown to lower the activation energy for hopping transport and enhance film conductivity and electron mobility.

  16. Prolonged river water pollution due to variable-density flow and solute transport in the riverbed

    Science.gov (United States)

    Jin, Guangqiu; Tang, Hongwu; Li, Ling; Barry, D. A.

    2015-04-01

    A laboratory experiment and numerical modeling were used to examine effects of density gradients on hyporheic flow and solute transport under the condition of a solute pulse input to a river with regular bed forms. Relatively low-density gradients due to an initial salt pulse concentration of 1.55 kg m-3 applied in the experiment were found to modulate significantly the pore-water flow and solute transport in the riverbed. Such density gradients increased downward flow and solute transport in the riverbed by factors up to 1.6. This resulted in a 12.2% increase in the total salt transfer from the water column to the riverbed over the salt pulse period. As the solute pulse passed, the effect of the density gradients reversed, slowing down the release of the solute back to the river water by a factor of 3.7. Numerical modeling indicated that these density effects intensified as salt concentrations in the water column increased. Simulations further showed that the density gradients might even lead to unstable flow and result in solute fingers in the bed of large bed forms. The slow release of solute from the bed back to the river led to a long tail of solute concentration in the river water. These findings have implications for assessment of impact of pollution events on river systems, in particular, long-term effects on both the river water and riverbed due to the hyporheic exchange.

  17. Integrated compartmental model for describing the transport of solute in a fractured porous medium. [FRACPORT

    Energy Technology Data Exchange (ETDEWEB)

    DeAngelis, D.L.; Yeh, G.T.; Huff, D.D.

    1984-10-01

    This report documents a model, FRACPORT, that simulates the transport of a solute through a fractured porous matrix. The model should be useful in analyzing the possible transport of radionuclides from shallow-land burial sites in humid environments. The use of the model is restricted to transport through saturated zones. The report first discusses the general modeling approach used, which is based on the Integrated Compartmental Method. The basic equations of solute transport are then presented. The model, which assumes a known water velocity field, solves these equations on two different time scales; one related to rapid transport of solute along fractures and the other related to slower transport through the porous matrix. FRACPORT is validated by application to a simple example of fractured porous medium transport that has previously been analyzed by other methods. Then its utility is demonstrated in analyzing more complex cases of pulses of solute into a fractured matrix. The report serves as a user's guide to FRACPORT. A detailed description of data input, along with a listing of input for a sample problem, is provided. 16 references, 18 figures, 3 tables.

  18. Electron pairing in dilute liquid metal-metal halide solutions

    Energy Technology Data Exchange (ETDEWEB)

    Selloni, A.; Car, R.; Parrinello, M.; Carnevali, P.

    1987-09-10

    Spin density functional theory is used to describe the interaction between solvated electrons in KCl in the high dilution limit. In agreement with recent calculations based on the path integral method our results for antiparallel spin predict a strong tendency to form localized bielectronic complexes. At variance with numerical path integral, our method can efficiently treat the case of parallel spins. For this case we find that electrons repel each other and localize into separate F-center-like states.

  19. A note on the standard electron transfer potential at the interface between two immiscible electrolyte solutions

    Czech Academy of Sciences Publication Activity Database

    Samec, Zdeněk

    2009-01-01

    Roč. 55, č. 2 (2009), s. 75-81 ISSN 0034-6691 R&D Projects: GA ČR(CZ) GA203/07/1257 Institutional research plan: CEZ:AV0Z40400503 Keywords : interface between two immiscible electrolyte solutions * interfacial electron transfer * standard electron trasfer potential * homogeneous electron transfer Subject RIV: CG - Electrochemistry

  20. Hydrated Electron Transfer to Nucleobases in Aqueous Solutions Revealed by Ab Initio Molecular Dynamics Simulations.

    Science.gov (United States)

    Zhao, Jing; Wang, Mei; Fu, Aiyun; Yang, Hongfang; Bu, Yuxiang

    2015-08-03

    We present an ab initio molecular dynamics (AIMD) simulation study into the transfer dynamics of an excess electron from its cavity-shaped hydrated electron state to a hydrated nucleobase (NB)-bound state. In contrast to the traditional view that electron localization at NBs (G/A/C/T), which is the first step for electron-induced DNA damage, is related only to dry or prehydrated electrons, and a fully hydrated electron no longer transfers to NBs, our AIMD simulations indicate that a fully hydrated electron can still transfer to NBs. We monitored the transfer dynamics of fully hydrated electrons towards hydrated NBs in aqueous solutions by using AIMD simulations and found that due to solution-structure fluctuation and attraction of NBs, a fully hydrated electron can transfer to a NB gradually over time. Concurrently, the hydrated electron cavity gradually reorganizes, distorts, and even breaks. The transfer could be completed in about 120-200 fs in four aqueous NB solutions, depending on the electron-binding ability of hydrated NBs and the structural fluctuation of the solution. The transferring electron resides in the π*-type lowest unoccupied molecular orbital of the NB, which leads to a hydrated NB anion. Clearly, the observed transfer of hydrated electrons can be attributed to the strong electron-binding ability of hydrated NBs over the hydrated electron cavity, which is the driving force, and the transfer dynamics is structure-fluctuation controlled. This work provides new insights into the evolution dynamics of hydrated electrons and provides some helpful information for understanding the DNA-damage mechanism in solution. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.