WorldWideScience

Sample records for favorable transport properties

  1. Cytoskeleton-centric protein transportation by exosomes transforms tumor-favorable macrophages

    Science.gov (United States)

    Cui, Yizhi; Zhou, Yanlong; Yin, Xingfeng; Guo, Jiahui; Zhang, Gong; Wang, Tong; He, Qing-Yu

    2016-01-01

    The exosome is a key initiator of pre-metastatic niche in numerous cancers, where macrophages serve as primary inducers of tumor microenvironment. However, the proteome that can be exosomally transported from cancer cells to macrophages has not been sufficiently characterized so far. Here, we used colorectal cancer (CRC) exosomes to educate tumor-favorable macrophages. With a SILAC-based mass spectrometry strategy, we successfully traced the proteome transported from CRC exosomes to macrophages. Such a proteome primarily focused on promoting cytoskeleton rearrangement, which was biologically validated with multiple cell lines. We reproduced the exosomal transportation of functional vimentin as a proof-of-concept example. In addition, we found that some CRC exosomes could be recognized by macrophages via Fc receptors. Therefore, we revealed the active and necessary role of exosomes secreted from CRC cells to transform cancer-favorable macrophages, with the cytoskeleton-centric proteins serving as the top functional unit. PMID:27602764

  2. Cytoskeleton-centric protein transportation by exosomes transforms tumor-favorable macrophages.

    Science.gov (United States)

    Chen, Zhipeng; Yang, Lijuan; Cui, Yizhi; Zhou, Yanlong; Yin, Xingfeng; Guo, Jiahui; Zhang, Gong; Wang, Tong; He, Qing-Yu

    2016-10-11

    The exosome is a key initiator of pre-metastatic niche in numerous cancers, where macrophages serve as primary inducers of tumor microenvironment. However, the proteome that can be exosomally transported from cancer cells to macrophages has not been sufficiently characterized so far. Here, we used colorectal cancer (CRC) exosomes to educate tumor-favorable macrophages. With a SILAC-based mass spectrometry strategy, we successfully traced the proteome transported from CRC exosomes to macrophages. Such a proteome primarily focused on promoting cytoskeleton rearrangement, which was biologically validated with multiple cell lines. We reproduced the exosomal transportation of functional vimentin as a proof-of-concept example. In addition, we found that some CRC exosomes could be recognized by macrophages via Fc receptors. Therefore, we revealed the active and necessary role of exosomes secreted from CRC cells to transform cancer-favorable macrophages, with the cytoskeleton-centric proteins serving as the top functional unit.

  3. 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)

  4. Atomic transport properties

    International Nuclear Information System (INIS)

    Freyss, M.

    2015-01-01

    As presented in the first chapter of this book, atomic transport properties govern a large panel of nuclear fuel properties, from its microstructure after fabrication to its behaviour under irradiation: grain growth, oxidation, fission product release, gas bubble nucleation. The modelling of the atomic transport properties is therefore the key to understanding and predicting the material behaviour under irradiation or in storage conditions. In particular, it is noteworthy that many modelling techniques within the so-called multi-scale modelling scheme of materials make use of atomic transport data as input parameters: activation energies of diffusion, diffusion coefficients, diffusion mechanisms, all of which are then required to be known accurately. Modelling approaches that are readily used or which could be used to determine atomic transport properties of nuclear materials are reviewed here. They comprise, on the one hand, static atomistic calculations, in which the migration mechanism is fixed and the corresponding migration energy barrier is calculated, and, on the other hand, molecular dynamics calculations and kinetic Monte-Carlo simulations, for which the time evolution of the system is explicitly calculated. (author)

  5. 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.

  6. Transport properties of fission product vapors

    International Nuclear Information System (INIS)

    Im, K.H.; Ahluwalia, R.K.

    1983-07-01

    Kinetic theory of gases is used to calculate the transport properties of fission product vapors in a steam and hydrogen environment. Provided in tabular form is diffusivity of steam and hydrogen, viscosity and thermal conductivity of the gaseous mixture, and diffusivity of cesium iodide, cesium hydroxide, diatomic tellurium and tellurium dioxide. These transport properties are required in determining the thermal-hydraulics of and fission product transport in light water reactors

  7. 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.

  8. TRANSPORT PROPERTIES FOR REFRIGERANT MIXTURES

    Directory of Open Access Journals (Sweden)

    V. Geller

    2014-06-01

    Full Text Available A set of models to predict viscosity and thermal conductivity of refrigerant mixtures is developed. A general model for viscosity and thermal conductivity use the three contributions sum form (the dilute-gas terms, the residual terms, and the liquid terms. The corresponding states model is recommended to predict the dense gas transport properties over a range of reduced density from 0 to 2. It is shown that the RHS model provides the most reliable results for the saturated-liquid and the compressed-liquid transport properties over a range of given temperatures from 0,5 to 0,95.

  9. 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

  10. Transport Properties in Nuclear Pasta

    Science.gov (United States)

    Caplan, Matthew; Horowitz, Charles; Berry, Donald; da Silva Schneider, Andre

    2016-09-01

    At the base of the inner crust of neutron stars, where matter is near the nuclear saturation density, nuclear matter arranges itself into exotic shapes such as cylinders and slabs, called `nuclear pasta.' Lepton scattering from these structures may govern the transport properties of the inner crust; electron scattering from protons in the pasta determines the thermal and electrical conductivity, as well as the shear viscosity of the inner crust. These properties may vary in pasta structures which form at various densities, temperatures, and proton fractions. In this talk, we report on our calculations of lepton transport in nuclear pasta and the implication for neutron star observables.

  11. Red cell properties after different modes of blood transportation

    Directory of Open Access Journals (Sweden)

    Asya Makhro

    2016-07-01

    Full Text Available Transportation of blood samples is unavoidable for assessment of specific parameters in blood of patients with rare anemias, blood doping testing or for research purposes. Despite the awareness that shipment may substantially alter multiple parameters, no study of that extend has been performed to assess these changes and optimize shipment conditions to reduce transportation-related artifacts. Here we investigate the changes in multiple parameters in blood of healthy donors over 72 hours of simulated shipment conditions. Three different anticoagulants (K3EDTA, Sodium Heparin and citrate-based CPDA for two temperatures (4oC and room temperature were tested to define the optimal transportation conditions. Parameters measured cover common cytology and biochemistry parameters (complete blood count, hematocrit, morphological examination, red blood cell (RBC volume, ion content and density, membrane properties and stability (hemolysis, osmotic fragility, membrane heat stability, patch-clamp investigations and formation of micro vesicles, Ca2+ handling, RBC metabolism, activity of numerous enzymes and O2 transport capacity. Our findings indicate that individual sets of parameter may require different shipment settings (anticoagulants, temperature. Most of the parameters except for ion (Na+, K+, Ca2+ handling and, possibly, reticulocytes counts, tend to favor transportation at 4oC. Whereas plasma and intraerythrocytic Ca2+ cannot be accurately measured in the presence of chelators such as citrate and EDTA, majority of Ca2+-dependent parameters are stabilized in CPDA samples. Even in blood samples from healthy donors transported using optimized shipment protocol the majority of parameters were stable within 24 hours, the condition that may not hold for the samples of patients with rare anemias. This implies for the as short as possible shipping using fast courier services to the closest expert laboratory at reach. Mobile laboratories or the travel of the

  12. Transport properties of molecular junctions

    CERN Document Server

    Zimbovskaya, Natalya A

    2013-01-01

    A comprehensive overview of the physical mechanisms that control electron transport and the characteristics of metal-molecule-metal (MMM) junctions is presented. As far as possible, methods and formalisms presented elsewhere to analyze electron transport through molecules are avoided. This title introduces basic concepts—a description of the electron transport through molecular junctions—and briefly describes relevant experimental methods. Theoretical methods commonly used to analyze the electron transport through molecules are presented. Various effects that manifest in the electron transport through MMMs, as well as the basics of density-functional theory and its applications to electronic structure calculations in molecules are presented. Nanoelectronic applications of molecular junctions and similar systems are discussed as well. Molecular electronics is a diverse and rapidly growing field. Transport Properties of Molecular Junctions presents an up-to-date survey of the field suitable for researchers ...

  13. Neoclassical bootstrap current and transport in optimized stellarator configurations

    International Nuclear Information System (INIS)

    Maassberg, H.; Lotz, W.; Nuehrenberg, J.

    1993-01-01

    The neoclassical bootstrap current properties of optimized stellarators are analyzed in the relevant mean-free-path regimes and compared with the neoclassical transport properties. Two methods---global Monte Carlo simulation [Phys. Fluids 31, 2984 (1988)], and local analysis with the drift kinetic equation solver code [Phys. Fluids B 1, 563 (1989)]---are employed and good agreement is obtained. Full consistency with the elimination of the bootstrap current and favorable neoclassical transport are found

  14. CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

    Science.gov (United States)

    Mcbride, B.

    1994-01-01

    Scientists and engineers need chemical equilibrium composition data to calculate the theoretical thermodynamic properties of a chemical system. This information is essential in the design and analysis of equipment such as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical processing equipment. The substantial amount of numerical computation required to obtain equilibrium compositions and transport properties for complex chemical systems led scientists at NASA's Lewis Research Center to develop CET89, a program designed to calculate the thermodynamic and transport properties of these systems. CET89 is a general program which will calculate chemical equilibrium compositions and mixture properties for any chemical system with available thermodynamic data. Generally, mixtures may include condensed and gaseous products. CET89 performs the following operations: it 1) obtains chemical equilibrium compositions for assigned thermodynamic states, 2) calculates dilute-gas transport properties of complex chemical mixtures, 3) obtains Chapman-Jouguet detonation properties for gaseous species, 4) calculates incident and reflected shock properties in terms of assigned velocities, and 5) calculates theoretical rocket performance for both equilibrium and frozen compositions during expansion. The rocket performance function allows the option of assuming either a finite area or an infinite area combustor. CET89 accommodates problems involving up to 24 reactants, 20 elements, and 600 products (400 of which may be condensed). The program includes a library of thermodynamic and transport properties in the form of least squares coefficients for possible reaction products. It includes thermodynamic data for over 1300 gaseous and condensed species and transport data for 151 gases. The subroutines UTHERM and UTRAN convert thermodynamic and transport data to unformatted form for faster processing. The program conforms to the FORTRAN 77 standard, except for

  15. Nonlinear transport properties of non-ideal systems

    International Nuclear Information System (INIS)

    Pavlov, G A

    2009-01-01

    The theory of nonlinear transport is elaborated to determine the Burnett transport properties of non-ideal multi-element plasma and neutral systems. The procedure for the comparison of the phenomenological conservation equations of a continuous dense medium and the microscopic equations for dynamical variable operators is used for the definition of these properties. The Mori algorithm is developed to derive the equations of motion of dynamical value operators of a non-ideal system in the form of the generalized nonlinear Langevin equations. In consequence, the microscopic expressions of transport coefficients corresponding to second-order thermal disturbances (temperature, mass velocity, etc) have been found in the long wavelength and low frequency limits

  16. Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

    Science.gov (United States)

    Hunt, J. L.; Boney, L. R.

    1973-01-01

    Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

  17. Transport properties site descriptive model. Guidelines for evaluation and modelling

    International Nuclear Information System (INIS)

    Berglund, Sten; Selroos, Jan-Olof

    2004-04-01

    This report describes a strategy for the development of Transport Properties Site Descriptive Models within the SKB Site Investigation programme. Similar reports have been produced for the other disciplines in the site descriptive modelling (Geology, Hydrogeology, Hydrogeochemistry, Rock mechanics, Thermal properties, and Surface ecosystems). These reports are intended to guide the site descriptive modelling, but also to provide the authorities with an overview of modelling work that will be performed. The site descriptive modelling of transport properties is presented in this report and in the associated 'Strategy for the use of laboratory methods in the site investigations programme for the transport properties of the rock', which describes laboratory measurements and data evaluations. Specifically, the objectives of the present report are to: Present a description that gives an overview of the strategy for developing Site Descriptive Models, and which sets the transport modelling into this general context. Provide a structure for developing Transport Properties Site Descriptive Models that facilitates efficient modelling and comparisons between different sites. Provide guidelines on specific modelling issues where methodological consistency is judged to be of special importance, or where there is no general consensus on the modelling approach. The objectives of the site descriptive modelling process and the resulting Transport Properties Site Descriptive Models are to: Provide transport parameters for Safety Assessment. Describe the geoscientific basis for the transport model, including the qualitative and quantitative data that are of importance for the assessment of uncertainties and confidence in the transport description, and for the understanding of the processes at the sites. Provide transport parameters for use within other discipline-specific programmes. Contribute to the integrated evaluation of the investigated sites. The site descriptive modelling of

  18. 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.

  19. Enhancement of charge transport properties of small molecule semiconductors by controlling fluorine substitution and effects on photovoltaic properties of organic solar cells and perovskite solar cells.

    Science.gov (United States)

    Yun, Jae Hoon; Park, Sungmin; Heo, Jin Hyuck; Lee, Hyo-Sang; Yoon, Seongwon; Kang, Jinback; Im, Sang Hyuk; Kim, Hyunjung; Lee, Wonmok; Kim, BongSoo; Ko, Min Jae; Chung, Dae Sung; Son, Hae Jung

    2016-11-01

    We prepared a series of small molecules based on 7,7'-(4,4-bis(2-ethylhexyl)-4 H -silolo[3,2- b :4,5- b ']dithiophene-2,6-diyl)bis(4-(5'-hexyl-[2,2'-bithiophene]-5-yl)benzo[ c ][1,2,5]thiadiazole) with different fluorine substitution patterns ( 0F-4F ). Depending on symmetricity and numbers of fluorine atoms incorporated in the benzo[ c ][1,2,5]thiadiazole unit, they show very different optical and morphological properties in a film. 2F and 4F , which featured symmetric and even-numbered fluorine substitution patterns, display improved molecular packing structures and higher crystalline properties in a film compared with 1F and 3F and thus, 2F achieved the highest OTFT mobility, which is followed by 4F . In the bulk heterojunction solar cell fabricated with PC 71 BM, 2F achieves the highest photovoltaic performance with an 8.14% efficiency and 0F shows the lowest efficiency of 1.28%. Moreover, the planar-type perovskite solar cell (PSC) prepared with 2F as a dopant-free hole transport material shows a high power conversion efficiency of 14.5% due to its high charge transporting properties, which were significantly improved compared with the corresponding PSC device obtained from 0F (8.5%). From the studies, it is demonstrated that low variation in the local dipole moment and the narrow distribution of 2F conformers make intermolecular interactions favorable, which may effectively drive crystal formations in the solid state and thus, higher charge transport properties compared with 1F and 3F .

  20. Simultaneous measurements of transport and poroelastic properties of rocks.

    Science.gov (United States)

    Hasanov, Azar K; Prasad, Manika; Batzle, Michael L

    2017-12-01

    A novel laboratory apparatus has been developed for simultaneous measurements of transport and poroelastic rock properties. These transport and poroelastic properties at reservoir pressure and temperature conditions are required inputs for various geoscience applications, such as reservoir simulation, basin modeling, or modeling of pore pressure generation. Traditionally, the transport and poroelastic properties are measured separately using, for example, the oscillating pore pressure method to measure hydraulic transport properties, static strain measurements for elastic properties, and pore volumometry for storage capacity. In addition to time, the separate set of measurements require either aliquot cores or subjecting the same core to multiple pressure tests. We modified the oscillating pore pressure method to build an experimental setup, capable of measuring permeability, storage capacity, and pseudo-bulk modulus of rocks simultaneously. We present here the test method, calibration measurements (capillary tube), and sample measurements (sandstone) of permeability and storage capacity at reservoir conditions. We establish that hydraulically measured storage capacities were overestimated by an order of magnitude when compared to elastically derived ones. Our concurrent measurement of elastic properties during the hydraulic experiment provides an independent constraint on storage capacity.

  1. Unsaturated Zone and Saturated Zone Transport Properties (U0100)

    Energy Technology Data Exchange (ETDEWEB)

    J. Conca

    2000-12-20

    This Analysis/Model Report (AMR) summarizes transport properties for the lower unsaturated zone hydrogeologic units and the saturated zone at Yucca Mountain and provides a summary of data from the Busted Butte Unsaturated Zone Transport Test (UZTT). The purpose of this report is to summarize the sorption and transport knowledge relevant to flow and transport in the units below Yucca Mountain and to provide backup documentation for the sorption parameters decided upon for each rock type. Because of the complexity of processes such as sorption, and because of the lack of direct data for many conditions that may be relevant for Yucca Mountain, data from systems outside of Yucca Mountain are also included. The data reported in this AMR will be used in Total System Performance Assessment (TSPA) calculations and as general scientific support for various Process Model Reports (PMRs) requiring knowledge of the transport properties of different materials. This report provides, but is not limited to, sorption coefficients and other relevant thermodynamic and transport properties for the radioisotopes of concern, especially neptunium (Np), plutonium (Pu), Uranium (U), technetium (Tc), iodine (I), and selenium (Se). The unsaturated-zone (UZ) transport properties in the vitric Calico Hills (CHv) are discussed, as are colloidal transport data based on the Busted Butte UZTT, the saturated tuff, and alluvium. These values were determined through expert elicitation, direct measurements, and data analysis. The transport parameters include information on interactions of the fractures and matrix. In addition, core matrix permeability data from the Busted Butte UZTT are summarized by both percent alteration and dispersion.

  2. Unsaturated Zone and Saturated Zone Transport Properties (U0100)

    International Nuclear Information System (INIS)

    Conca, J.

    2000-01-01

    This Analysis/Model Report (AMR) summarizes transport properties for the lower unsaturated zone hydrogeologic units and the saturated zone at Yucca Mountain and provides a summary of data from the Busted Butte Unsaturated Zone Transport Test (UZTT). The purpose of this report is to summarize the sorption and transport knowledge relevant to flow and transport in the units below Yucca Mountain and to provide backup documentation for the sorption parameters decided upon for each rock type. Because of the complexity of processes such as sorption, and because of the lack of direct data for many conditions that may be relevant for Yucca Mountain, data from systems outside of Yucca Mountain are also included. The data reported in this AMR will be used in Total System Performance Assessment (TSPA) calculations and as general scientific support for various Process Model Reports (PMRs) requiring knowledge of the transport properties of different materials. This report provides, but is not limited to, sorption coefficients and other relevant thermodynamic and transport properties for the radioisotopes of concern, especially neptunium (Np), plutonium (Pu), Uranium (U), technetium (Tc), iodine (I), and selenium (Se). The unsaturated-zone (UZ) transport properties in the vitric Calico Hills (CHv) are discussed, as are colloidal transport data based on the Busted Butte UZTT, the saturated tuff, and alluvium. These values were determined through expert elicitation, direct measurements, and data analysis. The transport parameters include information on interactions of the fractures and matrix. In addition, core matrix permeability data from the Busted Butte UZTT are summarized by both percent alteration and dispersion

  3. A Comprehensive study of the Effects of Chain Morphology on the Transport Properties of Amorphous Polymer Films

    Science.gov (United States)

    Mendels, Dan; Tessler, Nir

    2016-07-01

    Organic semiconductors constitute one of the main components underlying present-day paradigm shifting optoelectronic applications. Among them, polymer based semiconductors are deemed particularly favorable due to their natural compatibility with low-cost device fabrication techniques. In light of recent advances in the syntheses of these classes of materials, yielding systems exhibiting charge mobilities comparable with those found in organic crystals, a comprehensive study of their charge transport properties is presented. Among a plethora of effects arising from these systems morphological and non morphological attributes, it is shown that a favorable presence of several of these attributes, including that of rapid on-chain carrier propagation and the presence of elongated conjugation segments, can lead to an enhancement of the system’s mobility by more than 5 orders of magnitude with respect to ‘standard’ amorphous organic semiconductors. New insight for the formulation of new engineering strategies for next generation polymer based semiconductors is thus gathered.

  4. Strain effect on the magnetic and transport properties of LaCoO3 thin films

    Science.gov (United States)

    Li, Y.; Peng, S. J.; Wang, D. J.; Wu, K. M.; Wang, S. H.

    2018-05-01

    LaCoO3 (LCO) has attracted much attention due to the unique magnetic transition and spin transition of Co3+ ions. Epitaxial LCO film exhibits an unexpected ferromagnetism, in contrast to the non-magnetism of bulk LCO. An in-depth study on the property of strained LCO film is of great importance. We have fabricated 30 nm LCO films on various substrates and studied the magnetic and transport properties of films in different strain states (compressed strain for LCO/LaAlO3, tensile strain for LCO/(LaAlO3)0.3(Sr2TaAlO6)0.35, SrTiO3). The in-plane tensiled LCO films exhibit ferromagnetic ground state at 5K and magnetic transition with TC around 85K, while compressed LCO/LaAlO3 film has a negligibly small moment signal. Our results reveal that in-plane tensile strain and tetragonal distortion are much more favorable for stabilizing the FM order in LCO films.

  5. Bipolar Alq3-based complexes: Effect of hole-transporting substituent on the properties of Alq3-center

    International Nuclear Information System (INIS)

    Luo Jianxin; Lu Mangeng; Yang Chaolong; Tong Bihai; Liang Liyan

    2012-01-01

    Two bipolar Alq 3 -based complexes, tris{5-[(carbazole-9'-yl)methyl]-8-hydroxyquinoline} aluminum (Al(CzHQ) 3 ) and tris{5-[(phenothiazine-9'-yl)methyl]-8-hydroxyquinoline} aluminum (Al(PHQ) 3 ), involving an Alq 3 -center and three hole-transporting substituents (carbazole or phenothiazine), were prepared and characterized. Effects of hole-transporting substituent on the properties of Alq 3 -center were investigated in detail. It is found that the two complexes have improved hole-transporting performance and appropriate thermal stability (the 5%-weight-loss temperatures T 5% >260 °C). Photoluminescence (PL) spectra indicate that both energy transfer and electron transfer can take place simultaneously in the PL process of these complexes. Both thermodynamics and dynamics of the electron transfer were studied and corresponding parameters were calculated. Energy transfer is favorable for the PL of Alq 3 -center, while electron transfer is unfavorable for the PL of Alq 3 -center. These results will be useful to explore novel OLEDs material with increased efficiency. - Highlights: ► Effects of substituent on the properties of Alq 3 -center were investigated. ► Energy transfer and electron transfer can transfer from substituent to Alq 3 -center. ► The thermodynamics and dynamics of electron transfer were studied. ► The mechanisms of PL and EL of Al(CzHQ) 3 were studied and compared with each other.

  6. 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.

  7. Fluctuation theory for transport properties in multicomponent mixtures: thermodiffusion and heat conductivity

    DEFF Research Database (Denmark)

    Shapiro, Alexander

    2004-01-01

    The theory of transport properties in multicomponent gas and liquid mixtures, which was previously developed for diffusion coefficients, is extended onto thermodiffusion coefficients and heat conductivities. The derivation of the expressions for transport properties is based on the general statis...... of the heat conductivity coefficient for ideal gas. (C) 2003 Elsevier B.V. All rights reserved.......The theory of transport properties in multicomponent gas and liquid mixtures, which was previously developed for diffusion coefficients, is extended onto thermodiffusion coefficients and heat conductivities. The derivation of the expressions for transport properties is based on the general...

  8. Chamber transport

    International Nuclear Information System (INIS)

    Olson, Craig L.

    2001-01-01

    Heavy ion beam transport through the containment chamber plays a crucial role in all heavy ion fusion (HIF) scenarios. Here, several parameters are used to characterize the operating space for HIF beams; transport modes are assessed in relation to evolving target/accelerator requirements; results of recent relevant experiments and simulations of HIF transport are summarized; and relevant instabilities are reviewed. All transport options still exist, including (1) vacuum ballistic transport, (2) neutralized ballistic transport, and (3) channel-like transport. Presently, the European HIF program favors vacuum ballistic transport, while the US HIF program favors neutralized ballistic transport with channel-like transport as an alternate approach. Further transport research is needed to clearly guide selection of the most attractive, integrated HIF system

  9. Oxygen transport properties estimation by DSMC-CT simulations

    Energy Technology Data Exchange (ETDEWEB)

    Bruno, Domenico [Istituto di Metodologie Inorganiche e dei Plasmi, Consiglio Nazionale delle Ricerche - Via G. Amendola, 122 - 70125 Bari (Italy); Frezzotti, Aldo; Ghiroldi, Gian Pietro [Dipartimento di Scienze e Tecnologie Aerospaziali, Politecnico di Milano - Via La Masa, 34 - 20156 Milano (Italy)

    2014-12-09

    Coupling DSMC simulations with classical trajectories calculations is emerging as a powerful tool to improve predictive capabilities of computational rarefied gas dynamics. The considerable increase of computational effort outlined in the early application of the method (Koura,1997) can be compensated by running simulations on massively parallel computers. In particular, GPU acceleration has been found quite effective in reducing computing time (Ferrigni,2012; Norman et al.,2013) of DSMC-CT simulations. The aim of the present work is to study rarefied Oxygen flows by modeling binary collisions through an accurate potential energy surface, obtained by molecular beams scattering (Aquilanti, et al.,1999). The accuracy of the method is assessed by calculating molecular Oxygen shear viscosity and heat conductivity following three different DSMC-CT simulation methods. In the first one, transport properties are obtained from DSMC-CT simulations of spontaneous fluctuation of an equilibrium state (Bruno et al, Phys. Fluids, 23, 093104, 2011). In the second method, the collision trajectory calculation is incorporated in a Monte Carlo integration procedure to evaluate the Taxman’s expressions for the transport properties of polyatomic gases (Taxman,1959). In the third, non-equilibrium zero and one-dimensional rarefied gas dynamic simulations are adopted and the transport properties are computed from the non-equilibrium fluxes of momentum and energy. The three methods provide close values of the transport properties, their estimated statistical error not exceeding 3%. The experimental values are slightly underestimated, the percentage deviation being, again, few percent.

  10. Transport properties of quasi-free Fermions

    CERN Document Server

    Aschbacher, W; Pautrat, Y; Pillet, C A

    2006-01-01

    Using the scattering approach to the construction of Non-Equilibrium Steady States proposed by Ruelle we study the transport properties of systems of independent electrons. We show that Landauer-Buttiker and Green-Kubo formulas hold under very general conditions.

  11. Structural properties of the Chinese air transportation multilayer network

    International Nuclear Information System (INIS)

    Hong, Chen; Zhang, Jun; Cao, Xian-Bin; Du, Wen-Bo

    2016-01-01

    Highlights: • We investigate the structural properties of the Chinese air transportation multilayer network (ATMN). • We compare two main types of layers corresponding to major and low-cost airlines. • It is found that small-world property and rich-club effect of the Chinese ATMN are mainly caused by major airlines. - Abstract: Recently multilayer networks are attracting great attention because the properties of many real-world systems cannot be well understood without considering their different layers. In this paper, we investigate the structural properties of the Chinese air transportation multilayer network (ATMN) by progressively merging layers together, where each commercial airline (company) defines a layer. The results show that the high clustering coefficient, short characteristic path length and large collection of reachable destinations of the Chinese ATMN can only emerge when several layers are merged together. Moreover, we compare two main types of layers corresponding to major and low-cost airlines. It is found that the small-world property and the rich-club effect of the Chinese ATMN are mainly caused by those layers corresponding to major airlines. Our work will highlight a better understanding of the Chinese air transportation network.

  12. Anisotropic bias dependent transport property of defective phosphorene layer

    Science.gov (United States)

    Umar Farooq, M.; Hashmi, Arqum; Hong, Jisang

    2015-01-01

    Phosphorene is receiving great research interests because of its peculiar physical properties. Nonetheless, no systematic studies on the transport properties modified due to defects have been performed. Here, we present the electronic band structure, defect formation energy and bias dependent transport property of various defective systems. We found that the defect formation energy is much less than that in graphene. The defect configuration strongly affects the electronic structure. The band gap vanishes in single vacancy layers, but the band gap reappears in divacancy layers. Interestingly, a single vacancy defect behaves like a p-type impurity for transport property. Unlike the common belief, we observe that the vacancy defect can contribute to greatly increasing the current. Along the zigzag direction, the current in the most stable single vacancy structure was significantly increased as compared with that found in the pristine layer. In addition, the current along the armchair direction was always greater than along the zigzag direction and we observed a strong anisotropic current ratio of armchair to zigzag direction. PMID:26198318

  13. Transport properties of high-temperature superconductors: Surface vs bulk effect

    International Nuclear Information System (INIS)

    Burlachkov, L.; Koshelev, A.E.; Vinokur, V.M.

    1996-01-01

    We investigate surface-related transport properties of high-temperature superconductors. We find the mean vortex velocity under applied transport current determined by the activation energies for vortex penetration and exit through the Bean-Livingston barrier. We determine the current distribution between the surfaces of superconductor and the field and current dependencies of the transport activation energies. For a three-dimensional superconductor the transport activation energy, U s 3D , is found to decrease with the external field, H, and transport current, J, as U s 3D ∝H -1/2 and U s 3D ∝J -1/2 , respectively. In the quasi-two-dimensional compounds, U s 2D decays logarithmically with field and current. The interplay between the surface and the bulk contributions to the transport properties, such as current-voltage characteristics, is discussed. copyright 1996 The American Physical Society

  14. Pollution of soils and ecosystems by a permanent toxic organochlorine pesticide: chlordecone—numerical simulation of allophane nanoclay microstructure and calculation of its transport properties

    Directory of Open Access Journals (Sweden)

    Thierry Woignier

    2015-06-01

    Full Text Available Pest control technology was introduced into the tropics without considering the specificity of their ecosystems and the risk of pollution was underestimated. Some volcanic soils (andosols contain nanoclay (allophane with a unique structure and porous properties compared to crystalline clays. Andosols are characterized by large pore volume and pore size distribution, a high specific surface area, and a fractal structure. These soils are more polluted than the other kinds of tropical soils but release less pollutants (chlordecone to water and plants. The literature shows that the allophane microstructure favors accumulation and sequestration of chlordecone, an organochlorine pesticide, in andosols.We used a numerical model to simulate the structure of allophane aggregates. The algorithm is based on a cluster-cluster aggregation model. From the simulated data, we derived the structural features, pore volume and tortuosity, and its transport properties, hydraulic conductivity and diffusion. We show that transport properties decrease because of the presence of allophane. We propose that low hydraulic conductivity and diffusion are important parameters to explain the high concentrations and trapping of pollutants in andosols.

  15. Evolution favors protein mutational robustness in sufficiently large populations

    Directory of Open Access Journals (Sweden)

    Venturelli Ophelia S

    2007-07-01

    Full Text Available Abstract Background An important question is whether evolution favors properties such as mutational robustness or evolvability that do not directly benefit any individual, but can influence the course of future evolution. Functionally similar proteins can differ substantially in their robustness to mutations and capacity to evolve new functions, but it has remained unclear whether any of these differences might be due to evolutionary selection for these properties. Results Here we use laboratory experiments to demonstrate that evolution favors protein mutational robustness if the evolving population is sufficiently large. We neutrally evolve cytochrome P450 proteins under identical selection pressures and mutation rates in populations of different sizes, and show that proteins from the larger and thus more polymorphic population tend towards higher mutational robustness. Proteins from the larger population also evolve greater stability, a biophysical property that is known to enhance both mutational robustness and evolvability. The excess mutational robustness and stability is well described by mathematical theory, and can be quantitatively related to the way that the proteins occupy their neutral network. Conclusion Our work is the first experimental demonstration of the general tendency of evolution to favor mutational robustness and protein stability in highly polymorphic populations. We suggest that this phenomenon could contribute to the mutational robustness and evolvability of viruses and bacteria that exist in large populations.

  16. Node-node correlations and transport properties in scale-free networks

    Science.gov (United States)

    Obregon, Bibiana; Guzman, Lev

    2011-03-01

    We study some transport properties of complex networks. We focus our attention on transport properties of scale-free and small-world networks and compare two types of transport: Electric and max-flow cases. In particular, we construct scale-free networks, with a given degree sequence, to estimate the distribution of conductances for different values of assortative/dissortative mixing. For the electric case we find that the distributions of conductances are affect ed by the assortative mixing of the network whereas for the max-flow case, the distributions almost do not show changes when node-node correlations are altered. Finally, we compare local and global transport in terms of the average conductance for the small-world (Watts-Strogatz) model

  17. Moisture transport properties of mortar and mortar joint: A NMR study

    OpenAIRE

    Brocken, H.J.P.; Adant, O.C.G.; Pel, L.

    1997-01-01

    The moisture transport in mortar and mortar joint often is an important parameter in degeneration of brick masonry and other block constructions. In this study, the influence of single additives on the moisture transport properties of mortar is investigated. Due to water extraction during brick laying, curing conditions of mortar in mortar joint differ from curing conditions of separately cured mortar. Consequently, the moisture transport properties of mortar joint differ. In addition to the ...

  18. Moisture transport properties of mortar and mortar joint: a NMR study

    OpenAIRE

    Brocken, H.J.P.; Adan, O.C.G.; Pel, L.

    1997-01-01

    The moisture transport in mortar and mortar joint often is an important parameter in degeneration of brick masonry and other block constructions. In this study, the influence of single additives on the moisture transport properties of mortar is investigated. Due to water extraction during brick laying, curing conditions of mortar in mortar joint differ from curing conditions of separately cured mortar. Consequently, the moisture transport properties of mortar joint differ. In addition to the ...

  19. The influence of defects on the transport properties of AgSbPb18Te20 prepared at high pressure and high temperature

    International Nuclear Information System (INIS)

    Wang Yi; Zhu Pinwen; Jiao Hujun; Chen Haiyong; Ma Yanming; Niu Yingli; Li Yingai; Zhang Lijun; Zhang Tiechen; Gao Chunxiao; Zou Guangtian

    2007-01-01

    We synthesized polycrystal AgSbPb 18 Te 20 by using the method of high pressure and high temperature, and found that the defects produced by high pressure and high temperature caused the changes of transport properties. X-ray diffraction patterns showed that the cell parameters did not change obviously with synthesis at high pressure, apart from a small fluctuation. The electrical resistivity first increased, and then decreased to one quarter of the original value, as the synthesis pressure changed from low to high. The Seebeck coefficient decreased with the increase of synthesis pressure, and then changed from positive to negative. High pressure and high temperature could cause AgSbPb 18 Te 20 to change from a p-type to n-type semiconductor, increase the carrier concentration at maximum by two orders of magnitude, and shift the infrared absorption edge to a higher energy range. All of these phenomena were regarded as showing that high pressure and high temperature favored the formation of certain defects which could change the band structure and thereby change the transport properties

  20. Thermodynamic and transport properties of sodium liquid and vapor

    International Nuclear Information System (INIS)

    Fink, J.K.; Leibowitz, L.

    1995-01-01

    Data have been reviewed to obtain thermodynamically consistent equations for thermodynamic and transport properties of saturated sodium liquid and vapor. Recently published Russian recommendations and results of equation of state calculations on thermophysical properties of sodium have been included in this critical assessment. Thermodynamic properties of sodium liquid and vapor that have been assessed include: enthalpy, heat capacity at constant pressure, heat capacity at constant volume, vapor pressure, boiling point, enthalpy of vaporization, density, thermal expansion, adiabatic and isothermal compressibility, speed of sound, critical parameters, and surface tension. Transport properties of liquid sodium that have been assessed include: viscosity and thermal conductivity. For each property, recommended values and their uncertainties are graphed and tabulated as functions of temperature. Detailed discussions of the analyses and determinations of the recommended equations include comparisons with recommendations given in other assessments and explanations of consistency requirements. The rationale and methods used in determining the uncertainties in the recommended values are also discussed

  1. Prediction of transport and other physical properties of fluids

    CERN Document Server

    Bretsznajder, S

    1971-01-01

    Prediction of Transport and Other Physical Properties of Fluids reviews general methods for predicting the transport and other physical properties of fluids such as gases and liquids. Topics covered range from the theory of corresponding states and methods for estimating the surface tension of liquids to some basic concepts of the kinetic theory of gases. Methods of estimating liquid viscosity based on the principle of additivity are also described. This volume is comprised of eight chapters and opens by presenting basic information on gases and liquids as well as intermolecular forces and con

  2. 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.

  3. EquilTheTA: Thermodynamic and transport properties of complex equilibrium plasmas

    International Nuclear Information System (INIS)

    Colonna, G.; D'Angola, A.

    2012-01-01

    EquilTheTA (EQUILibrium for plasma THErmodynamics and Transport Applications) is a web-based software which calculates chemical equilibrium product concentrations from any set of reactants and determines thermodynamic and transport properties for the product mixture in wide temperature and pressure ranges. The program calculates chemical equilibrium by using a hierarchical approach, thermodynamic properties and transport coefficients starting from recent and accurate databases of atomic and molecular energy levels and collision integrals. In the calculations, Debye length and cut-off are consistently updated and virial corrections (up to third order) can be considered. Transport coefficients are calculated by using high order approximations of the Chapman-Enskog method.

  4. Density functional theory calculations of charge transport properties ...

    Indian Academy of Sciences (India)

    ZIRAN CHEN

    2017-08-04

    Aug 4, 2017 ... properties of 'plate-like' coronene topological structures ... Keywords. Organic semiconductors; density functional theory; charge carrier mobility; ambipolar transport; ..... nology Department of Sichuan Province (Grant Number.

  5. Transport properties and specific heat of UTe and USb

    International Nuclear Information System (INIS)

    Ochiai, A.; Suzuki, Y.; Shikama, T.; Suzuki, K.; Hotta, E.; Haga, Y.; Suzuki, T.

    1994-01-01

    Uranium monochalcogenides and monopnictides crystallize in the NaCl-type structure and exhibit ferromagnetic and antiferromagnetic order, respectively. These series reveal interesting properties such as Kondo behavior of UTe. However, such interesting properties are much sample dependent. We grew single crystals of USb and UTe with high purity using the Bridgman technique, and measured transport properties and specific heat. ((orig.))

  6. Electronic, magnetic and transport properties of graphene ribbons terminated by nanotubes

    International Nuclear Information System (INIS)

    Akhukov, M A; Yuan Shengjun; Fasolino, A; Katsnelson, M I

    2012-01-01

    We study, by density functional and large-scale tight-binding transport calculations, the electronic structure, magnetism and transport properties of the recently proposed graphene ribbons with edges rolled to form nanotubes. Edges with armchair nanotubes present magnetic moments localized either in the tube or the ribbon and of metallic or half-metallic character, depending on the symmetry of the junction. These properties have potential for spin valve and spin filter devices with advantages over other proposed systems. Edges with zigzag nanotubes are either metallic or semiconducting without affecting the intrinsic mobility of the ribbon. Varying the type and size of the nanotubes and ribbons offers the possibility to tailor the magnetic and transport properties, making these systems very promising for applications. (paper)

  7. Predicting Soil-Air and Soil-Water Transport Properties During Soil Vapor Extraction

    DEFF Research Database (Denmark)

    Poulsen, Tjalfe

    Increased application of in-situ technology for control and removal of volatile organic compounds (VOC) in the subsurface has made the understanding of soil physical properties and their impact upon contaminant transport even more important. Knowledge of contaminant transport is important when...... properties of undisturbed soil from more easily measurable soil properties are developed. The importance of soil properties with respect to contaminant migration during remediation by soil vapor extraction (SVE) in the unsaturated zone was investigated using numerical simulations....

  8. Novel electrical transport properties in conducting polymers such as polythiophene and Poly(3-Methylthiophene)

    International Nuclear Information System (INIS)

    Kazama, Shigeo; Masubuchi, Shin-ichi; Matsuyama, Tomochika; Matsushita, Rokuji.

    1994-01-01

    Electric transport properties in most of the conducting organic polymers have provided a riddle that prevents a thorough physical understanding of the conduction mechanism. Major difficulties for approaching the most substantial aspect in the electrical transport properties underlie in complicated higher order structure inherent to polymeric materials consisting of crystalline regions entangled with disordered amorphous regions. In order to clearly understand the origin of the metallic nature of conducting polymers, we have to extract the proper transport properties characteristics of the ordered crystalline regions. We have made a series of experimental studies of the transport properties in conductive polythiophene and poly(3-methylthiophene) obtained with the electrochemical polymerization. For polythiophene, we have investigated both the as-grown samples and the ones that contain controlled amount of dopant species exchanged after the neutralization aiming to see the effect of dopant concentration on the transport properties. (author)

  9. Catalytically favorable surface patterns in Pt-Au nanoclusters

    KAUST Repository

    Mokkath, Junais Habeeb

    2013-01-01

    Motivated by recent experimental demonstrations of novel PtAu nanoparticles with highly enhanced catalytic properties, we present a systematic theoretical study that explores principal catalytic indicators as a function of the particle size and composition. We find that Pt electronic states in the vicinity of the Fermi level combined with a modified electron distribution in the nanoparticle due to Pt-to-Au charge transfer are the origin of the outstanding catalytic properties. From our model we deduce the catalytically favorable surface patterns that induce ensemble and ligand effects. © The Royal Society of Chemistry 2013.

  10. Direct measurement of superdiffusive energy transport in disordered granular chains.

    Science.gov (United States)

    Kim, Eunho; Martínez, Alejandro J; Phenisee, Sean E; Kevrekidis, P G; Porter, Mason A; Yang, Jinkyu

    2018-02-13

    Energy transport properties in heterogeneous materials have attracted scientific interest for more than half of a century, and they continue to offer fundamental and rich questions. One of the outstanding challenges is to extend Anderson theory for uncorrelated and fully disordered lattices in condensed-matter systems to physical settings in which additional effects compete with disorder. Here we present the first systematic experimental study of energy transport and localization properties in simultaneously disordered and nonlinear granular crystals. In line with prior theoretical studies, we observe in our experiments that disorder and nonlinearity-which individually favor energy localization-can effectively cancel each other out, resulting in the destruction of wave localization. We also show that the combined effect of disorder and nonlinearity can enable manipulation of energy transport speed in granular crystals. Specifically, we experimentally demonstrate superdiffusive transport. Furthermore, our numerical computations suggest that subdiffusive transport should be attainable by controlling the strength of the system's external precompression force.

  11. Computer program for calculating thermodynamic and transport properties of fluids

    Science.gov (United States)

    Hendricks, R. C.; Braon, A. K.; Peller, I. C.

    1975-01-01

    Computer code has been developed to provide thermodynamic and transport properties of liquid argon, carbon dioxide, carbon monoxide, fluorine, helium, methane, neon, nitrogen, oxygen, and parahydrogen. Equation of state and transport coefficients are updated and other fluids added as new material becomes available.

  12. Charge carrier transport properties in layer structured hexagonal boron nitride

    Directory of Open Access Journals (Sweden)

    T. C. Doan

    2014-10-01

    Full Text Available Due to its large in-plane thermal conductivity, high temperature and chemical stability, large energy band gap (˜ 6.4 eV, hexagonal boron nitride (hBN has emerged as an important material for applications in deep ultraviolet photonic devices. Among the members of the III-nitride material system, hBN is the least studied and understood. The study of the electrical transport properties of hBN is of utmost importance with a view to realizing practical device applications. Wafer-scale hBN epilayers have been successfully synthesized by metal organic chemical deposition and their electrical transport properties have been probed by variable temperature Hall effect measurements. The results demonstrate that undoped hBN is a semiconductor exhibiting weak p-type at high temperatures (> 700 °K. The measured acceptor energy level is about 0.68 eV above the valence band. In contrast to the electrical transport properties of traditional III-nitride wide bandgap semiconductors, the temperature dependence of the hole mobility in hBN can be described by the form of μ ∝ (T/T0−α with α = 3.02, satisfying the two-dimensional (2D carrier transport limit dominated by the polar optical phonon scattering. This behavior is a direct consequence of the fact that hBN is a layer structured material. The optical phonon energy deduced from the temperature dependence of the hole mobility is ħω = 192 meV (or 1546 cm-1, which is consistent with values previously obtained using other techniques. The present results extend our understanding of the charge carrier transport properties beyond the traditional III-nitride semiconductors.

  13. Molecular Dynamics Simulation for Surface and Transport Properties of Fluorinated Silica Nanoparticles in Water or Decane: Application to Gas Recovery Enhancement

    Directory of Open Access Journals (Sweden)

    Sepehrinia Kazem

    2017-05-01

    Full Text Available Determination of surface and transport properties of nanoparticles (NPs is essential for a variety of applications in enhanced oil and gas recoveries. In this paper, the impact of the surface chemistry of silica NPs on their hydro- and oleo-phobic properties as well as their transport properties are investigated in water or decane using molecular dynamics simulation. Trifluoromethyl or pentafluoroethyl groups as water and oil repellents are placed on the NPs. It is found that the density and residence time of liquid molecules around the NPs are modulated considerably with the existence of the functional groups on the NPs’ surfaces. Also, much larger density fluctuations for liquids close to the surface of the NPs are observed when the number of the groups on the NPs increases, indicating increased hydrophobicity. In addition, the diffusion coefficient of the NPs in either water or decane increases with increasing the number or length of the fluorocarbon chains, demonstrating non-Brownian behavior for the NPs. The surface chemistry imparts a considerable contribution on the diffusion coefficient of the NPs. Finally, potential of mean force calculations are undertaken. It is observed that the free energy of adsorption of the NPs on a mineral surface is more favorable than that of the aggregation of the NPs, which suggests the NPs adsorb preferably on the mineral surface.

  14. Transport Properties Of Van Der Waals Hybrid Heterostructures.

    Science.gov (United States)

    Pacheco, M.; Orellana, P. A.; Felix, A. B.; Latge, A.

    Here we study transport properties of van der Waals heterostructures composed of carbon nanotubes adsorbed on nanoribbons of distinct 2D materials. Calculations of the electronic density of states and conductance of the hybrid systems are obtained in single band tight-binding approximation in the Green function formalism by adopting real-space renormalization schemes. We show that an analytical approach may be derived when both systems are formed by the same type of atoms. In the coupled structures the different electronic paths along the ribbons and finite nanotubes lead to quantum interference effects which are reflected as Fano antiresonances in the conductance. The electronic and transport properties of these materials are modulated by changing geometrical and structural parameters, such as the nanotube diameter and the widths and edge type of the ribbons. FONDECYT 1151316-1140571.

  15. Impact of carbonation on water transport properties of cement-based materials

    International Nuclear Information System (INIS)

    Auroy, M.; Poyet, S.; Le Bescop, P.; Torrenti, J.M.

    2015-01-01

    Cement-based materials would be commonly used for nuclear waste management and, particularly for geological disposal vaults as well as containers in France. Under service conditions, the structures would be subjected to simultaneous drying and carbonation. Carbonation relates to the reaction between CO 2 and the hydrated cement phases (mainly portlandite and C-S-H). It induces mineralogical and microstructural changes (due to hydrates dissolution and calcium carbonate precipitation). It results in transport properties modifications, which can have important consequences on the durability of reinforced concrete structures. Concrete durability is greatly influenced by water: water is necessary for chemical reactions to occur and significantly impacts transport. The evaluation of the unsaturated water transport properties in carbonated materials is then an important issue. That is the aim of this study. A program has been established to assess the water transport properties in carbonated materials. In this context, four mature hardened cement pastes (CEM I, CEM III/A, CEM V/A according to European standards and a Low-pH blend) are carbonated. Accelerated carbonation tests are performed in a specific device, controlling environmental conditions: (i) CO 2 content of 3%, to ensure representativeness of the mineralogical evolution compared to natural carbonation and (ii) 25 C. degrees and 55% RH, to optimize carbonation rate. After carbonation, the data needed to describe water transport are evaluated in the framework of simplified approach. Three physical parameters are required: (1) the concrete porosity, (2) the water retention curve and, (3) the effective permeability. The obtained results allow creating link between water transport properties of non-carbonated materials to carbonated ones. They also provide a better understanding of the effect of carbonation on water transport in cementitious materials and thus, complement literature data. (authors)

  16. Transport properties of a discrete helical electrostatic quadrupole

    International Nuclear Information System (INIS)

    Meitzler, C.R.; Antes, K.; Datte, P.; Huson, F.R.; Xiu, L.

    1991-01-01

    The helical electrostatic quadrupole (HESQ) lens has been proposed as a low energy beam transport system which permits intense H - beams to be focused into an RFQ without seriously increasing the beam's emittance. A stepwise continuous HESQ lens has been constructed, and preliminary tests have shown that the structure does provide focusing. In order to understand the transport properties of this device, further detailed studies have been performed. Emittances were measured 3.5 cm from the end of the HESQ at two different voltages on the HESQ electrodes. A comparison of these experimental results with a linear model of the HESQ beam transport is made. 4 refs., 5 figs

  17. Investigation of transport properties of colossal magnetoresistive materials

    International Nuclear Information System (INIS)

    Kaurav, Netram

    2006-01-01

    The transport properties, i.e. resistivity, heat capacity, thermal conductivity and optical conductivity have been theoretically analysed for colossal magnetoresistive materials within the framework of double exchange mechanism. Following an effective interaction potential, we deduce acoustic (optical) phonon modes, coupling strength for electron-phonon and phonon-impurities, the phonon (magnon) scattering rate and constants characterise the scattering of charge and heat carriers with various disorders in the crystal. The theoretical models have been developed to account the anomalies observed in the transport phenomenon. It is noticed that electron-electron, electron-phonon and electron-magnon interactions are essential in discussing the transport behaviour of doped magnetites. (author)

  18. Transport processes in partially saturate concrete: Testing and liquid properties

    Science.gov (United States)

    Villani, Chiara

    The measurement of transport properties of concrete is considered by many to have the potential to serve as a performance criterion that can be related to concrete durability. However, the sensitivity of transport tests to several parameters combined with the low permeability of concrete complicates the testing. Gas permeability and diffusivity test methods are attractive due to the ease of testing, their non-destructive nature and their potential to correlate to in-field carbonation of reinforced concrete structures. This work was aimed at investigating the potential of existing gas transport tests as a way to reliably quantify transport properties in concrete. In this study gas permeability and diffusivity test methods were analyzed comparing their performance in terms of repeatability and variability. The influence of several parameters was investigated such as moisture content, mixture proportions and gas flow. A closer look to the influence of pressure revealed an anomalous trend of permeability with respect to pressure. An alternative calculation is proposed in an effort to move towards the determination of intrinsic material properties that can serve as an input for service life prediction models. The impact of deicing salts exposure was also analyzed with respect to their alteration of the degree of saturation as this may affect gas transport in cementitious materials. Limited information were previously available on liquid properties over a wide range of concentrations. To overcome this limitation, this study quantified surface tension, viscosity in presence of deicing salts in a broad concentration range and at different temperatures. Existing models were applied to predict the change of fluid properties during drying. Vapor desorption isotherms were obtained to investigate the influence of deicing salts presence on the non-linear moisture diffusion coefficient. Semi-empirical models were used to quantify the initiation and the rate of drying using liquid

  19. Thermal Transport Properties of Dry Spun Carbon Nanotube Sheets

    Directory of Open Access Journals (Sweden)

    Heath E. Misak

    2016-01-01

    Full Text Available The thermal properties of carbon nanotube- (CNT- sheet were explored and compared to copper in this study. The CNT-sheet was made from dry spinning CNTs into a nonwoven sheet. This nonwoven CNT-sheet has anisotropic properties in in-plane and out-of-plane directions. The in-plane direction has much higher thermal conductivity than the out-of-plane direction. The in-plane thermal conductivity was found by thermal flash analysis, and the out-of-plane thermal conductivity was found by a hot disk method. The thermal irradiative properties were examined and compared to thermal transport theory. The CNT-sheet was heated in the vacuum and the temperature was measured with an IR Camera. The heat flux of CNT-sheet was compared to that of copper, and it was found that the CNT-sheet has significantly higher specific heat transfer properties compared to those of copper. CNT-sheet is a potential candidate to replace copper in thermal transport applications where weight is a primary concern such as in the automobile, aircraft, and space industries.

  20. Electronic and transport properties of Cobalt-based valence tautomeric molecules and polymers

    Science.gov (United States)

    Chen, Yifeng; Calzolari, Arrigo; Buongiorno Nardelli, Marco

    2011-03-01

    The advancement of molecular spintronics requires further understandings of the fundamental electronic structures and transport properties of prototypical spintronics molecules and polymers. Here we present a density functional based theoretical study of the electronic structures of Cobalt-based valence tautomeric molecules Co III (SQ)(Cat)L Co II (SQ)2 L and their polymers, where SQ refers to the semiquinone ligand, and Cat the catecholate ligand, while L is a redox innocent backbone ligand. The conversion from low-spin Co III ground state to high-spin Co II excited state is realized by imposing an on-site potential U on the Co atom and elongating the Co-N bond. Transport properties are subsequently calculated by extracting electronic Wannier functions from these systems and computing the charge transport in the ballistic regime using a Non-Equilibrium Green's Function (NEGF) approach. Our transport results show distinct charge transport properties between low-spin ground state and high-spin excited state, hence suggesting potential spintronics devices from these molecules and polymers such as spin valves.

  1. Calculations of the transport properties within the PAW formalism

    Energy Technology Data Exchange (ETDEWEB)

    Mazevet, S.; Torrent, M.; Recoules, V.; Jollet, F. [CEA Bruyeres-le-Chatel, DIF, 91 (France)

    2010-07-01

    We implemented the calculation of the transport properties within the PAW formalism in the ABINIT code. This feature allows the calculation of the electrical and optical properties, including the XANES spectrum, as well as the electronic contribution to the thermal conductivity. We present here the details of the implementation and results obtained for warm dense aluminum plasma. (authors)

  2. Impact of carbonation on the durability of cementitious materials: water transport properties characterization

    Directory of Open Access Journals (Sweden)

    Le Bescop P.

    2013-07-01

    Full Text Available Within the context of long-lived intermediate level radioactive waste geological disposal, reinforced concrete would be used. In service life conditions, the concrete structures would be subjected to drying and carbonation. Carbonation relates to the reaction between carbon dioxide (CO2 and the main hydrates of the cement paste (portlandite and C-S-H. Beyond the fall of the pore solution pH, indicative of steel depassivation, carbonation induces mineralogical and microstructural changes (due to portlandite and C-S-H dissolution and calcium carbonate precipitation. This results in the modification of the transport properties, which can impact the structure durability. Because concrete durability depends on water transport, this study focuses on the influence of carbonation on water transport properties. In fact, the transport properties of sound materials are known but they still remain to be assessed for carbonated ones. An experimental program has been designed to investigate the transport properties in carbonated materials. Four hardened cement pastes, differing in mineralogy, are carbonated in an accelerated carbonation device (in controlled environmental conditions at CO2 partial pressure of about 3%. Once fully carbonated, all the data needed to describe water transport, using a simplified approach, will be evaluated.

  3. Measurement of gas transport properties for chemical vapor infiltration

    Energy Technology Data Exchange (ETDEWEB)

    Starr, T.L.; Hablutzel, N. [Georgia Inst. of Tech., Atlanta, GA (United States). School of Materials Science and Engineering

    1996-12-01

    In the chemical vapor infiltration (CVI) process for fabricating ceramic matrix composites (CMCs), transport of gas phase reactant into the fiber preform is a critical step. The transport can be driven by pressure or by concentration. This report describes methods for measuring this for CVI preforms and partially infiltrated composites. Results are presented for Nicalon fiber cloth layup preforms and composites, Nextel fiber braid preforms and composites, and a Nicalon fiber 3-D weave composite. The results are consistent with a percolating network model for gas transport in CVI preforms and composites. This model predicts inherent variability in local pore characteristics and transport properties, and therefore, in local densification during processing; this may lead to production of gastight composites.

  4. Wentzel-Bardeen singularity in coupled Luttinger liquids: Transport properties

    International Nuclear Information System (INIS)

    Martin, T.

    1994-01-01

    The recent progress on 1 D interacting electrons systems and their applications to study the transport properties of quasi one dimensional wires is reviewed. We focus on strongly correlated elections coupled to low energy acoustic phonons in one dimension. The exponents of various response functions are calculated, and their striking sensitivity to the Wentzel-Bardeen singularity is discussed. For the Hubbard model coupled to phonons the equivalent of a phase diagram is established. By increasing the filling factor towards half filling the WB singularity is approached. This in turn suppresses antiferromagnetic fluctuations and drives the system towards the superconducting regime, via a new intermediate (metallic) phase. The implications of this phenomenon on the transport properties of an ideal wire as well as the properties of a wire with weak or strong scattering are analyzed in a perturbative renormalization group calculation. This allows to recover the three regimes predicted from the divergence criteria of the response functions

  5. The use of modern data about the composition and properties of soils for the development of transport infrastructure of Tyumen

    Science.gov (United States)

    Eremin, Dmitry

    2017-10-01

    Sedimentary properties territory Tura-Pyshma interfluve, where Tyumen is located are determined by the general course of ancient and especially the newest tectonic movements. Active development of the transport network on the territory of the Tour-Pyshma interfluve has created the need for a contemporary study of regional peculiarities of grounds. This will allow you to create roads with the quality meet the international standards. The use of average values of indicators of the properties of silty-clay soils during the development of the transport infrastructure projects of the city of Tyumen and its environs is ineffective due to the genetic characteristics of the rocks located at the depth of 1.5-5.0 meters. Detailed analysis showed that the studied soil belongs to the covering carbonate loams and clays, differing in its characteristics from loess-like sediments of the European part of Russia. The thickness of the covering rocks is not more than 5 meters. It’s low-carbonate, non-saline and often has a layered structure. The upper three meters of sediments contain the minimum quantity of water-soluble salts (dry residue less than 0.1%). Studied covering loams are characterized by favorable physical properties: the density of the bulk and the particle is 1.44 to 1.62 and 2.70-2.78 g/cm3, respectively. Water permeability is high - the filtration coefficient varies from 3.4 to 6.4 m/day, the minimum water velocity observed in the clay types of soil. The presence of sand layers adversely affects the permeability of soil. Therefore, the design and construction of transport infrastructure of the city and the surrounding territories it is necessary to consider regional features of grounds.

  6. Comparative study of active plasma lenses in high-quality electron accelerator transport lines

    Science.gov (United States)

    van Tilborg, J.; Barber, S. K.; Benedetti, C.; Schroeder, C. B.; Isono, F.; Tsai, H.-E.; Geddes, C. G. R.; Leemans, W. P.

    2018-05-01

    Electrically discharged active plasma lenses (APLs) are actively pursued in compact high-brightness plasma-based accelerators due to their high-gradient, tunable, and radially symmetric focusing properties. In this manuscript, the APL is experimentally compared with a conventional quadrupole triplet, highlighting the favorable reduction in the energy dependence (chromaticity) in the transport line. Through transport simulations, it is explored how the non-uniform radial discharge current distribution leads to beam-integrated emittance degradation and a charge density reduction at focus. However, positioning an aperture at the APL entrance will significantly reduce emittance degradation without additional loss of charge in the high-quality core of the beam. An analytical model is presented that estimates the emittance degradation from a short beam driving a longitudinally varying wakefield in the APL. Optimizing laser plasma accelerator operation is discussed where emittance degradation from the non-uniform discharge current (favoring small beams inside the APL) and wakefield effects (favoring larger beam sizes) is minimized.

  7. Relaxation and transport properties of liquid n-triacontane

    International Nuclear Information System (INIS)

    Kondratyuk, N D; Lankin, A V; Norman, G E; Stegailov, V V

    2015-01-01

    Molecular modelling is used to calculate transport properties and to study relaxation of liquid n-triacontane (C 30 H 62 ). The problem is important in connection with the behavior of liquid isolators in a pre-breakdown state. Two all-atom models and a united-atom model are used. Shear viscosity is calculated using the Green-Kubo formula. The force fields are compared with each other using the following criteria: the required time for one molecular dynamics step, the compliance of the main physical and transport properties with experimental values. The problem of the system equilibration is considered. The united-atom potential is used to model the n-triacontane liquid with an initial directional orientation. The time of relaxation to the disordered state, when all molecules orientations are randomized, are obtained. The influence of the molecules orientations on the shear viscosity value and the shear viscosity relaxation are treated. (paper)

  8. Transport properties in GaTe under hydrostatic pressure

    International Nuclear Information System (INIS)

    Gouskov, L.; Carvalho, M.

    1980-01-01

    First results of the resistivity rho(perpendicular) and rho(parallel)(perpendicular and parallel to the normal to the cleavage plane) under hydrostatic pressure (1 bar <= P <= 3 kbar) on GaTe grown by the Bridgman method, are given and discussed. The analysis of electrical transport properties of GaTe under pressure, indicates a complex nature of the acceptor level in this material. The activation energy Esub(a) has a negative pressure coefficient which is sample dependent. The comparison of the variations of rho(parallel) and rho(perpendicular) versus pressure shows that the activation energy E of the rho(parallel)/rho(perpendicular) ratio has also a negative pressure coefficient which can be justified in the frame of a one-dimensional disorder model proposed by Maschke and Schmid, in order to explain the transport properties in the direction of the normal to the cleavage plane. (author)

  9. A comparative study of the proton transport properties of metal (IV ...

    Indian Academy of Sciences (India)

    Unknown

    study the transport properties of these materials.5,6 The mechanism of diffusion and ionic transport in crystalline ... Cu-Kα radiation with a nickel filter. Chemical ... All the tungstates were hard and white except TiW which is yellow. The chemical.

  10. Ab Initio Calculations of Transport Properties of Vanadium Oxides

    Science.gov (United States)

    Lamsal, Chiranjivi; Ravindra, N. M.

    2018-04-01

    The temperature-dependent transport properties of vanadium oxides have been studied near the Fermi energy using the Kohn-Sham band structure approach combined with Boltzmann transport equations. V2O5 exhibits significant thermoelectric properties, which can be attributed to its layered structure and stability. Highly anisotropic electrical conduction in V2O5 is clearly manifested in the calculations. Due to specific details of the band structure and anisotropic electron-phonon interactions, maxima and crossovers are also seen in the temperature-dependent Seebeck coefficient of V2O5. During the phase transition of VO2, the Seebeck coefficient changes by 18.9 µV/K, which is close to (within 10% of) the observed discontinuity of 17.3 µV/K.

  11. Electronic structure and transport properties of quasi-one-dimensional carbon nanomaterials

    Directory of Open Access Journals (Sweden)

    Y. N. Wu

    2017-09-01

    Full Text Available Based on the density functional theory combined with the nonequilibrium Green’s function, the influence of the wrinkle on the electronic structures and transport properties of quasi-one-dimensional carbon nanomaterials have been investigated, in which the wrinkled armchair graphene nanoribbons (wAGNRs and the composite of AGNRs and single walled carbon nanotubes (SWCNTs were considered with different connection of ripples. The wrinkle adjusts the electronic structures and transport properties of AGNRs. With the change of the strain, the wAGNRs for three width families reveal different electrical behavior. The band gap of AGNR(6 increases in the presence of the wrinkle, which is opposite to that of AGNR(5 and AGNR(7. The transport of AGNRs with the widths 6 or 7 has been modified by the wrinkle, especially by the number of isolated ripples, but it is insensitive to the strain. The nanojunctions constructed by AGNRs and SWCNTs can form the quantum wells, and some specific states are confined in wAGNRs. Although these nanojunctions exhibit the metallic, they have poor conductance due to the wrinkle. The filling of C20 into SWCNT has less influence on the electronic structure and transport of the junctions. The width and connection type of ripples have greatly influenced on the electronic structures and transport properties of quasi-one-dimensional nanomaterials.

  12. Electronic structure and transport properties of quasi-one-dimensional carbon nanomaterials

    Science.gov (United States)

    Wu, Y. N.; Cheng, P.; Wu, M. J.; Zhu, H.; Xiang, Q.; Ni, J.

    2017-09-01

    Based on the density functional theory combined with the nonequilibrium Green's function, the influence of the wrinkle on the electronic structures and transport properties of quasi-one-dimensional carbon nanomaterials have been investigated, in which the wrinkled armchair graphene nanoribbons (wAGNRs) and the composite of AGNRs and single walled carbon nanotubes (SWCNTs) were considered with different connection of ripples. The wrinkle adjusts the electronic structures and transport properties of AGNRs. With the change of the strain, the wAGNRs for three width families reveal different electrical behavior. The band gap of AGNR(6) increases in the presence of the wrinkle, which is opposite to that of AGNR(5) and AGNR(7). The transport of AGNRs with the widths 6 or 7 has been modified by the wrinkle, especially by the number of isolated ripples, but it is insensitive to the strain. The nanojunctions constructed by AGNRs and SWCNTs can form the quantum wells, and some specific states are confined in wAGNRs. Although these nanojunctions exhibit the metallic, they have poor conductance due to the wrinkle. The filling of C20 into SWCNT has less influence on the electronic structure and transport of the junctions. The width and connection type of ripples have greatly influenced on the electronic structures and transport properties of quasi-one-dimensional nanomaterials.

  13. Magnetothermoelectric transport properties in phosphorene

    Science.gov (United States)

    Ma, R.; Liu, S. W.; Deng, M. X.; Sheng, L.; Xing, D. Y.; Sheng, D. N.

    2018-02-01

    We numerically study the electrical and thermoelectric transport properties in phosphorene in the presence of both a magnetic field and disorder. The quantized Hall conductivity is similar to that of a conventional two-dimensional electron gas, but the positions of all the Hall plateaus shift to the left due to the spectral asymmetry, in agreement with the experimental observations. The thermoelectric conductivity and Nernst signal exhibit remarkable anisotropy, and the thermopower is nearly isotropic. When a bias voltage is applied between top and bottom layers of phosphorene, both thermopower and Nernst signal are enhanced and their peak values become large.

  14. Transport properties of organic liquids

    CERN Document Server

    Latini, G; Passerini, G

    2006-01-01

    The liquid state is possibly the most difficult and intriguing state of matter to model. Organic liquids are required, mainly as working fluids, in almost all industrial activities and in most appliances (e.g. in air conditioning). Transport properties (namely dynamic viscosity and thermal conductivity) are possibly the most important properties for the design of devices and appliances. The aim of this book is to present both theoretical approaches and the latest experimental advances on the issue, and to merge them into a wider approach. It concentrates on applicability of models.This book is organized into five chapters plus a data collection. The chapters discuss the following topics: the liquid state and some well-know theories able to explain the behaviour of liquids; a rather complete review of models, based on theoretical assumptions and/or upon physical paradigms, to evaluate heat transfer in organic liquids; a review of several well-known semi-empirical methods to predict the thermal conductivity coe...

  15. Transport and pairing properties of helical edges with proximity induced superconductivity and ferromagnetism

    Energy Technology Data Exchange (ETDEWEB)

    Keidel, Felix; Burset, Pablo; Trauzettel, Bjoern [Institute of Theoretical Physics and Astrophysics, University of Wuerzburg, 97074 Wuerzburg (Germany); Crepin, Francois [Laboratoire de Physique Theorique de la Matiere Condensee, UPMC, Sorbonne Universites, 75252 Paris (France)

    2016-07-01

    The scientific interest in Quantum Spin Hall systems is far from declining. While these certainly are fascinating by themselves, there is plenty of new and exciting physics to arise when superconductivity and ferromagnetism are brought into the game. The strong constraint of helicity in the edge states of a two-dimensional topological insulator is responsible for an intimate relation between the allowed scattering processes in a hybrid junction and the parameters of the system, namely the superconducting order parameter and the magnetic field. In our work, we study a helical liquid in proximity to a conventional s-wave superconductor and ferromagnetic insulators by means of a Green's function analysis. The ferromagnet gives rise to sub-gap Andreev/Majorana bound states and non-local crossed Andreev reflection (CAR), both of which decisively affect the pairing and transport properties of the junction. As a result, the simple s-wave symmetry of the superconductor is enriched and unconventional odd-frequency triplet superconductivity emerges. Strikingly, we have identified a setup that favors CAR over electron co-tunneling and may allow for the indirect measurement of the symmetries of the superconducting order parameter.

  16. Applications of asymmetric nanotextured parylene surface using its wetting and transport properties

    Science.gov (United States)

    Sekeroglu, Koray

    In this thesis, basic digital fluidics devices were introduced using polymeric nanorods (nano-PPX) inspired from nature. Natural inspiration ignited this research by observing butterfly wings, water strider legs, rye grass leaves, and their asymmetric functions. Nano-PPX rods, manufactured by an oblique angle polymerization (OAP) method, are asymmetrically aligned structures that have unidirectional wetting properties. Nano-PPX demonstrates similar functions to the directional textured surfaces of animals and plants in terms of wetting, adhesion, and transport. The water pin-release mechanism on the asymmetric nano-PPX surface with adhesion function provides a great transport property. How the asymmetry causes transport is discussed in terms of hysteresis and interface contact of water droplets. In this study, the transport property of nano-PPX rods is used to guide droplets as well as transporting cargo such as microgels. With the addition of tracks on the nano-PPX rods, the surfaces were transformed into basic digital fluidics devices. The track-assisted nano-PPX has been employed to applications (i.e. sorting, mixing, and carrying cargo particles). Thus, digital fluidics devices fabricated on nano-PPX surface is a promising pathway to assemble microgels in the field of bioengineering. The characterization of the nano textured surface was completed using methods such as Scanning Electron Microscopy, Atomic Force Microscopy, Contact Angle Goniometry, and Fourier Transform Infra-Red Spectroscopy. These methods helped to understand the physical and chemical properties of nano-PPX. Parameters such as advancing and receding contact angles, nanorod tilt angle, and critical drop volumes were utilized to investigate the anisotropic wetting properties of nano-PPX surface. This investigation explained the directional wetting behavior of the surface as well as approaching new design parameters for adjusting surface properties. The nanorod tilt angle was a key parameter

  17. Impact of carbonation on water transport properties of cementitious materials

    International Nuclear Information System (INIS)

    Auroy, Martin

    2014-01-01

    Carbonation is a very well-known cementitious materials pathology. It is the major cause of reinforced concrete structures degradation. It leads to rebar corrosion and consequent concrete cover cracking. In the framework of radioactive waste management, cement-based materials used as building materials for structures or containers would be simultaneously submitted to drying and atmospheric carbonation. Although scientific literature regarding carbonating is vast, it is clearly lacking information about the influence of carbonation on water transport properties. This work then aimed at studying and understanding the change in water transport properties induced by carbonation. Simultaneously, the representativeness of accelerated carbonation (in the laboratory) was also studied. (author) [fr

  18. Moisture transport properties of mortar and mortar joint: A NMR study

    NARCIS (Netherlands)

    Brocken, H.J.P.; Adant, O.C.G.; Pel, L.

    1997-01-01

    The moisture transport in mortar and mortar joint often is an important parameter in degeneration of brick masonry and other block constructions. In this study, the influence of single additives on the moisture transport properties of mortar is investigated. Due to water extraction during brick

  19. Moisture transport properties of mortar and mortar joint: a NMR study

    NARCIS (Netherlands)

    Brocken, H.J.P.; Adan, O.C.G.; Pel, L.

    1997-01-01

    The moisture transport in mortar and mortar joint often is an important parameter in degeneration of brick masonry and other block constructions. In this study, the influence of single additives on the moisture transport properties of mortar is investigated. Due to water extraction during brick

  20. Core transport properties in JT-60U and JET identity plasmas

    NARCIS (Netherlands)

    Litaudon, X.; Sakamoto, Y.; de Vries, P. C.; Salmi, A.; Tala, T.; Angioni, C.; Benkadda, S.; Beurskens, M. N. A.; Bourdelle, C.; Brix, M.; Crombe, K.; Fujita, T.; Futatani, S.; Garbet, X.; Giroud, C.; Hawkes, N. C.; Hayashi, N.; Hoang, G. T.; Hogeweij, G. M. D.; Matsunaga, G.; Nakano, T.; Oyama, N.; Parail, V.; Shinohara, K.; Suzuki, T.; Takechi, M.; Takenaga, H.; Takizuka, T.; Urano, H.; Voitsekhovitch, I.; Yoshida, M.

    2011-01-01

    The paper compares the transport properties of a set of dimensionless identity experiments performed between JET and JT-60U in the advanced tokamak regime with internal transport barrier, ITB. These International Tokamak Physics Activity, ITPA, joint experiments were carried out with the same plasma

  1. Spin-polarized transport properties of a pyridinium-based molecular spintronics device

    Science.gov (United States)

    Zhang, J.; Xu, B.; Qin, Z.

    2018-05-01

    By applying a first-principles approach based on non-equilibrium Green's functions combined with density functional theory, the transport properties of a pyridinium-based "radical-π-radical" molecular spintronics device are investigated. The obvious negative differential resistance (NDR) and spin current polarization (SCP) effect, and abnormal magnetoresistance (MR) are obtained. Orbital reconstruction is responsible for novel transport properties such as that the MR increases with bias and then decreases and that the NDR being present for both parallel and antiparallel magnetization configurations, which may have future applications in the field of molecular spintronics.

  2. Review and assessment of thermodynamic and transport properties for the CONTAIN Code

    International Nuclear Information System (INIS)

    Valdez, G.D.

    1988-12-01

    A study was carried out to review available data and correlations on the thermodynamic and transport properties of materials applicable to the CONTAIN computer code. CONTAIN is the NRC's best-estimate, mechanistic computer code for modeling containment response to a severe accident. Where appropriate, recommendations have been made for suitable approximations for material properties of interests. Based on a modified Benedict-Webb-Rubin (BWR) equation of state, a procedure is introduced for calculating thermodynamic properties for common gases in the CONTAIN code. These gases are nitrogen, oxygen, hydrogen, carbon dioxide, carbon monoxide, steam, helium, and argon. The thermodynamic equations for density, currently represented in CONTAIN by relatively simple fits, were independently checked and are recommended to be replaced by the Lee-Kesler equation of state which substantially improves accuracy without too much sacrifice in computational efficiency. The accuracy of the calculated values have been found to be generally acceptable. Various correlations and models for single component gas transport properties, viscosity and thermal conductivity, were also assessed with available experimental data. When a suitable correlation or model was not available, transport properties were obtained by performing least-squares fit on experimental data. 50 refs., 126 figs., 3 tabs

  3. Fabrication and Transport Properties of Manganite-Polyacrylamide-Based Composites

    Directory of Open Access Journals (Sweden)

    Viorel Sandu

    2009-01-01

    Full Text Available We present the fabrication and transport properties of a series of composites made of La2/3Sr1/3MnO3 and acrylamide-based copolymers. The most important result is the very narrow transition, of only 27 K, displayed by the peak that appears around the metal-insulator transition of the composites made with poly(acrylamide-vinylacetate. Although the amount of polymer is rather low, different copolymers change drastically the electric transport characteristics.

  4. Effect of defects on the small polaron formation and transport properties of hematite from first-principles calculations.

    Science.gov (United States)

    Smart, Tyler J; Ping, Yuan

    2017-10-04

    Hematite (α-Fe 2 O 3 ) is a promising candidate as a photoanode material for solar-to-fuel conversion due to its favorable band gap for visible light absorption, its stability in an aqueous environment and its relatively low cost in comparison to other prospective materials. However, the small polaron transport nature in α-Fe 2 O 3 results in low carrier mobility and conductivity, significantly lowering its efficiency from the theoretical limit. Experimentally, it has been found that the incorporation of oxygen vacancies and other dopants, such as Sn, into the material appreciably enhances its photo-to-current efficiency. Yet no quantitative explanation has been provided to understand the role of oxygen vacancy or Sn-doping in hematite. We employed density functional theory to probe the small polaron formation in oxygen deficient hematite, N-doped as well as Sn-doped hematite. We computed the charged defect formation energies, the small polaron formation energy and hopping activation energies to understand the effect of defects on carrier concentration and mobility. This work provides us with a fundamental understanding regarding the role of defects on small polaron formation and transport properties in hematite, offering key insights into the design of new dopants to further improve the efficiency of transition metal oxides for solar-to-fuel conversion.

  5. Low-temperature localization in the transport properties of self ...

    Indian Academy of Sciences (India)

    Transport properties; scattering mechanisms; low temperature localization. 1. Introduction ... Mn4+ appears in these compounds due to the La defi- ciency, leading ... microscopy (SEM) image in figure 1 shows the size and mor- phology of the ...

  6. Influence of deformation on the fluid transport properties of salt rocks

    NARCIS (Netherlands)

    Peach, C.J.

    1991-01-01

    While the fluid transport properties of rocks are well understood under hydrostatic conditions, little is known regarding these properties in rocks undergoing crystal plastic deformation. However, such data are needed as input in the field of radioactive waste disposal in salt formations. They

  7. Electrical Transport Properties of Polycrystalline Monolayer Molybdenum Disulfide

    Science.gov (United States)

    2014-07-14

    Lou, Sina Najmaei, Matin Amani, Matthew L. Chin, Zheng Se. TASK NUMBER Liu Sf. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAMES AND ADDRESSES 8...Transport Properties of Polycrystalline Monolayer Molybdenum Disulfide Sina Najmaei,t.§ Matin Ama ni,M Matthew L. Chin,* Zhe ng liu/ ·"·v: A. Gle n

  8. Influence of deformation on the fluid transport properties of salt rocks

    NARCIS (Netherlands)

    Peach, C.J.

    1991-01-01

    While the fluid transport properties of rocks are well understood under hydrostatic conditions, little is known regarding these properties in rocks undergoing crystal plastic deformation. However, such data are needed as input in the field of radioactive waste disposal in salt formations. They are

  9. Electronic transport properties of pentacene single crystals upon exposure to air

    NARCIS (Netherlands)

    Jurchescu, OD; Baas, J; Palstra, TTM; Jurchescu, Oana D.

    2005-01-01

    We report the effect of air exposure on the electronic properties of pentacene single crystals. Air can diffuse reversibly in and out of the crystals and influences the physical properties. We discern two competing mechanisms that modulate the electronic transport. The presence of oxygen increases

  10. Electronic transport properties of nano-scale Si films: an ab initio study

    Science.gov (United States)

    Maassen, Jesse; Ke, Youqi; Zahid, Ferdows; Guo, Hong

    2010-03-01

    Using a recently developed first principles transport package, we study the electronic transport properties of Si films contacted to heavily doped n-type Si leads. The quantum transport analysis is carried out using density functional theory (DFT) combined with nonequilibrium Green's functions (NEGF). This particular combination of NEGF-DFT allows the investigation of Si films with thicknesses in the range of a few nanometers and lengths up to tens of nanometers. We calculate the conductance, the momentum resolved transmission, the potential profile and the screening length as a function of length, thickness, orientation and surface structure. Moreover, we compare the properties of Si films with and without a top surface passivation by hydrogen.

  11. Two-temperature thermodynamic and transport properties of SF6–Cu plasmas

    International Nuclear Information System (INIS)

    Wu, Yi; Chen, Zhexin; Yang, Fei; Rong, Mingzhe; Sun, Hao; Cressault, Yann; Murphy, Anthony B; Guo, Anxiang; Liu, Zirui

    2015-01-01

    SF 6 and Cu are widely adopted in electrical equipment as a dielectric medium and for conductive components, respectively. SF 6 –Cu plasmas are frequently formed, particularly in high-voltage circuit breaker arcs and fault current arcs, due to erosion of the Cu components. In this paper, calculated values of the thermodynamic and transport properties of plasmas in SF 6 –Cu mixtures are presented for both thermal equilibrium and non-equilibrium conditions. The composition is determined by the two-temperature Saha equation and Guldberg–Waage equation in the form derived by van de Sanden. The composition and the thermodynamic properties are evaluated through a classical statistical mechanics approach. For the transport coefficients, the simplified Chapman–Enskog method developed by Devoto, which decouples the electrons and heavy species, has been applied using the most recent collision integrals. The thermodynamic and transport properties are calculated for different electron temperatures (300–40 000 K), ratios of electron to heavy-species temperature (1–10), pressures (0.1–10 atm) and copper molar proportions (0–50%). It is found that deviations from thermal equilibrium strongly affect the thermodynamic and transport properties of the SF 6 –Cu plasmas. Further, the presence of copper has different effects on some of the properties for plasmas in and out of thermal equilibrium. The main reason for these changes is that dissociation reactions are delayed for non-thermal equilibrium plasmas, which in turn influences the ionization reactions that occur. (paper)

  12. A numerical model of non-equilibrium thermal plasmas. I. Transport properties

    Energy Technology Data Exchange (ETDEWEB)

    Zhang XiaoNing; Xia WeiDong [Department of Thermal Science and Energy Engineering, University of Science and Technology of China, Hefei, Anhui Province 230026 (China); Li HePing [Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Murphy, Anthony B. [CSIRO Materials Science and Engineering, PO Box 218, Lindfield NSW 2070 (Australia)

    2013-03-15

    A self-consistent and complete numerical model for investigating the fundamental processes in a non-equilibrium thermal plasma system consists of the governing equations and the corresponding physical properties of the plasmas. In this paper, a new kinetic theory of the transport properties of two-temperature (2-T) plasmas, based on the solution of the Boltzmann equation using a modified Chapman-Enskog method, is presented. This work is motivated by the large discrepancies between the theories for the calculation of the transport properties of 2-T plasmas proposed by different authors in previous publications. In the present paper, the coupling between electrons and heavy species is taken into account, but reasonable simplifications are adopted, based on the physical fact that m{sub e}/m{sub h} Much-Less-Than 1, where m{sub e} and m{sub h} are, respectively, the masses of electrons and heavy species. A new set of formulas for the transport coefficients of 2-T plasmas is obtained. The new theory has important physical and practical advantages over previous approaches. In particular, the diffusion coefficients are complete and satisfy the mass conversation law due to the consideration of the coupling between electrons and heavy species. Moreover, this essential requirement is satisfied without increasing the complexity of the transport coefficient formulas. Expressions for the 2-T combined diffusion coefficients are obtained. The expressions for the transport coefficients can be reduced to the corresponding well-established expressions for plasmas in local thermodynamic equilibrium for the case in which the electron and heavy-species temperatures are equal.

  13. A numerical model of non-equilibrium thermal plasmas. I. Transport properties

    Science.gov (United States)

    Zhang, Xiao-Ning; Li, He-Ping; Murphy, Anthony B.; Xia, Wei-Dong

    2013-03-01

    A self-consistent and complete numerical model for investigating the fundamental processes in a non-equilibrium thermal plasma system consists of the governing equations and the corresponding physical properties of the plasmas. In this paper, a new kinetic theory of the transport properties of two-temperature (2-T) plasmas, based on the solution of the Boltzmann equation using a modified Chapman-Enskog method, is presented. This work is motivated by the large discrepancies between the theories for the calculation of the transport properties of 2-T plasmas proposed by different authors in previous publications. In the present paper, the coupling between electrons and heavy species is taken into account, but reasonable simplifications are adopted, based on the physical fact that me/mh ≪ 1, where me and mh are, respectively, the masses of electrons and heavy species. A new set of formulas for the transport coefficients of 2-T plasmas is obtained. The new theory has important physical and practical advantages over previous approaches. In particular, the diffusion coefficients are complete and satisfy the mass conversation law due to the consideration of the coupling between electrons and heavy species. Moreover, this essential requirement is satisfied without increasing the complexity of the transport coefficient formulas. Expressions for the 2-T combined diffusion coefficients are obtained. The expressions for the transport coefficients can be reduced to the corresponding well-established expressions for plasmas in local thermodynamic equilibrium for the case in which the electron and heavy-species temperatures are equal.

  14. Thermodynamic and transport properties of two-temperature SF6 plasmas

    International Nuclear Information System (INIS)

    Wang Weizong; Rong Mingzhe; Wu Yi; Spencer, Joseph W.; Yan, Joseph D.; Mei, DanHua

    2012-01-01

    This paper deals with thermodynamic and transport properties of SF 6 plasmas in a two-temperature model for both thermal equilibrium and non-equilibrium conditions. The species composition and thermodynamic properties are numerically determined using the two-temperature Saha equation and Guldberg-Waage equation according to deviation of van de Sanden et al. Transport properties including diffusion coefficient, viscosity, thermal conductivity, and electrical conductivity are calculated with most recent collision interaction potentials by adopting Devoto’s electron and heavy particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) in the frame of Chapman–Enskog method. The results are computed for various values of pressures from 0.1 atm to 10 atm and ratios of the electron temperature to the heavy particle temperature from 1 to 20 with electron temperature range from 300 to 40 000 K. In the local thermodynamic equilibrium regime, results are compared with available results of previously published studies.

  15. Transport and Fatigue Properties of Ferroelectric Polymer P(VDF-TrFE) For Nonvolatile Memory Applications

    KAUST Repository

    Hanna, Amir

    2012-01-01

    injection and transport are believed to affect various properties of ferroelectric films such as remnant polarization values and polarization fatigue behavior.. Thus, this thesis aims to study charge injection in P(VDF-TrFE) and its transport properties as a

  16. Optical and transport properties of polyaniline films

    International Nuclear Information System (INIS)

    Tzamalis, Georgios

    2002-01-01

    This thesis presents the results of a comprehensive study on the transport and optical properties of polyaniline (PANI) films. The films are derived by protonation (doping) of the emeraldine base form of polyaniline, as synthesized in Durham, with either 2-acrylamido-2-methyl-1-propanesulfonic acid (AMPSA) or 10-camphorsulfonic acid. Thus, two distinct PANI systems are obtained: PANI-CSA and PANI-AMPSA. The variation of the doping level can affect the metallic properties of the final system, so that samples close to the boundary as well as samples at either side of a disorder induced metal-insulator can be obtained. The relation between the doping level and the degree of disorder, along with the existence of an inherently metallic behaviour in PANI, are investigated through a series of experiments. Temperature dependent dc conductivity measurements ranging from 10-295 K are performed using a closed loop helium cryostat under dynamic vacuum (∼10 -5 mbar). From the conductivity data curves, typical fingerprints of the metallic behaviour are detected for certain samples and an initial estimate of the degree of disorder is implicitly attained. More specific information regarding the microscopic contributions to the transport mechanisms is obtained via low temperature (down to 1.5 K) magnetoconductance measurements on selected samples. The magnetic field dependence of conductivity for fields up to 14 T is measured and the suitability of the localization-interaction model for the understanding of the transport mechanism in PANI is examined. Infrared reflectivity (20-9000 cm -1 ) measurements on samples of both PANI systems are performed. The experimental configuration permits the determination of the sample's absolute reflectivity. The optical constants are deduced from Kramers-Kronig analysis of the reflectivity data. Typical features of metallic behaviour are examined and analysed in the context of the localization modified Drude model. The results are shown to be

  17. Tuning transport properties of graphene three-terminal structures by mechanical deformation

    Science.gov (United States)

    Torres, V.; Faria, D.; Latgé, A.

    2018-04-01

    Straintronic devices made of carbon-based materials have been pushed up due to the graphene high mechanical flexibility and the possibility of interesting changes in transport properties. Properly designed strained systems have been proposed to allow optimized transport responses that can be explored in experimental realizations. In multiterminal systems, comparisons between schemes with different geometries are important to characterize the modifications introduced by mechanical deformations, especially if the deformations are localized at a central part of the system or extended in a large region. Then, in the present analysis, we study the strain effects on the transport properties of triangular and hexagonal graphene flakes, with zigzag and armchair edges, connected to three electronic terminals, formed by semi-infinite graphene nanoribbons. Using the Green's function formalism with circular renormalization schemes, and a single band tight-binding approximation, we find that resonant tunneling transport becomes relevant and is more affected by localized deformations in the hexagonal graphene flakes. Moreover, triangular systems with deformation extended to the leads, like longitudinal three-folded type, are shown as an interesting scenario for building nanoscale waveguides for electronic current.

  18. Assessment the effect of homogenized soil on soil hydraulic properties and soil water transport

    Science.gov (United States)

    Mohawesh, O.; Janssen, M.; Maaitah, O.; Lennartz, B.

    2017-09-01

    Soil hydraulic properties play a crucial role in simulating water flow and contaminant transport. Soil hydraulic properties are commonly measured using homogenized soil samples. However, soil structure has a significant effect on the soil ability to retain and to conduct water, particularly in aggregated soils. In order to determine the effect of soil homogenization on soil hydraulic properties and soil water transport, undisturbed soil samples were carefully collected. Five different soil structures were identified: Angular-blocky, Crumble, Angular-blocky (different soil texture), Granular, and subangular-blocky. The soil hydraulic properties were determined for undisturbed and homogenized soil samples for each soil structure. The soil hydraulic properties were used to model soil water transport using HYDRUS-1D.The homogenized soil samples showed a significant increase in wide pores (wCP) and a decrease in narrow pores (nCP). The wCP increased by 95.6, 141.2, 391.6, 3.9, 261.3%, and nCP decreased by 69.5, 10.5, 33.8, 72.7, and 39.3% for homogenized soil samples compared to undisturbed soil samples. The soil water retention curves exhibited a significant decrease in water holding capacity for homogenized soil samples compared with the undisturbed soil samples. The homogenized soil samples showed also a decrease in soil hydraulic conductivity. The simulated results showed that water movement and distribution were affected by soil homogenizing. Moreover, soil homogenizing affected soil hydraulic properties and soil water transport. However, field studies are being needed to find the effect of these differences on water, chemical, and pollutant transport under several scenarios.

  19. State-specific transport properties of electronically excited Ar and C

    Science.gov (United States)

    Istomin, V. A.; Kustova, E. V.

    2018-05-01

    In the present study, a theoretical model of state-resolved transport properties in electronically excited atomic species developed earlier is applied to argon and carbon atomic species. It is shown that for Ar and C, similarly to the case of atomic nitrogen and oxygen, the Slater-like models can be applied to calculate diameters of electronically excited atoms. Using the Slater-like model it is shown that for half-filled N (2 px1py1pz1) and full-filled Ar (3 px2py2pz2) electronic shells the growth of atomic radius goes slowly compared to C (2 px1py1) and O (2 px2py1pz1). The effect of collision diameters on the transport properties of Ar and C is evaluated. The influence of accounted number of electronic levels on the transport coefficients is examined for the case of Boltzmann distributions over electronic energy levels. It is emphasized that in the temperature range 1000-14000 K, for Boltzmann-like distributions over electronic states the number of accounted electronic levels do not influence the transport coefficients. Contrary to this, for higher temperatures T > 14000 K this effect becomes of importance, especially for argon.

  20. Formulation of confinement matrices and characterization of their transport properties from solid to melt state

    International Nuclear Information System (INIS)

    Grandjean, A.

    2006-07-01

    The author gives an overview of his research activity during which she worked on three main subjects. The first one dealt with the investigation of transport mechanisms in metal alloys (experimental investigation of diffusion in amorphous alloys, oxidation mechanism of Zircaloy-4 under temperature and in water or in dry oxygen). The second one dealt with the synthesis and properties of specific confinement matrices (effect of chemical composition on sintering of a carbonate powder, effect of microstructure of high Mo and P content vitro-crystals on lixiviation properties, incorporation of fluorine compounds in the case of borosilicate systems). The third one dealt with the transport in borosilicate glasses and melts (ionic transport, properties, and electrical transport glass-RuO 2 particles composites)

  1. Characterizing the transplanar and in-plane water transport properties of fabrics under different sweat rate: Forced Flow Water Transport Tester

    Science.gov (United States)

    Tang, K. P. M.; Chau, K. H.; Kan, C. W.; Fan, J. T.

    2015-11-01

    The water absorption and transport properties of fabrics are critical to wear comfort, especially for sportswear and protective clothing. A new testing apparatus, namely Forced Flow Water Transport Tester (FFWTT), was developed for characterizing the transplanar and in-plane wicking properties of fabrics based on gravimetric and image analysis technique. The uniqueness of this instrument is that the rate of water supply is adjustable to simulate varying sweat rates with reference to the specific end-use conditions ranging from sitting, walking, running to other strenuous activities. This instrument is versatile in terms of the types of fabrics that can be tested. Twenty four types of fabrics with varying constructions and surface finishes were tested. The results showed that FFWTT was highly sensitive and reproducible in differentiating these fabrics and it suggests that water absorption and transport properties of fabrics are sweat rate-dependent. Additionally, two graphic methods were proposed to map the direction of liquid transport and its relation to skin wetness, which provides easy and direct comparison among different fabrics. Correlation analysis showed that FFWTT results have strong correlation with subjective wetness sensation, implying validity and usefulness of the instrument.

  2. Thermophysical Properties of Ammonium-Based Bis{(trifluoromethyl)sulfonyl}imide Ionic Liquids: Volumetric and Transport Properties

    Czech Academy of Sciences Publication Activity Database

    Machanová, Karolina; Boisset, A.; Sedláková, Zuzana; Anouti, M.; Bendová, Magdalena; Jacquemin, J.

    2012-01-01

    Roč. 57, č. 8 (2012), s. 2227-2235 ISSN 0021-9568. [European Conference on Thermophysical Properties /19./. Thessaloniki, 28.08.2011-01.09.2011] R&D Projects: GA ČR GP203/09/P141; GA MŠk(CZ) MEB021009 Grant - others:Égide PHC(FR) 22000XB Institutional support: RVO:67985858 Keywords : ionic liquids * density * transport properties Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.004, year: 2012

  3. Influence of biofilms on transport properties in porous media

    Science.gov (United States)

    Davit, Y.

    2015-12-01

    Microbial activity and biofilm growth in porous media can drastically modify transport properties such as permeability, longitudinal and transverse dispersion or effective reaction rates. Understanding these effects has proven to be a considerable challenge. Advances in this field have been hindered by the difficulty of modeling and visualizing these multi-phase non-linear effects across a broad range of spatial and temporal scales. To address these issues, we are developing a strategy that combines imaging techniques based on x-ray micro-tomography with homogenization of pore-scale transport equations. Here, we review recent progress in x-ray imaging of biofilms in porous media, with a particular focus on the contrast agents that are used to differentiate between the fluid and biofilm phases. We further show how the 3D distribution of the different phases can be used to extract specific information about the biofilm and how effective properties can be calculated via the resolution of closure problems. These closure problems are obtained using the method of volume averaging and must be adapted to the problem of interest. In hydrological systems, we show that a generic formulation for reactive solute transport is based on a domain decomposition approach at the micro-scale yielding macro-scale models reminiscent of multi-rate mass transfer approaches.

  4. Dependence of helium transport on plasma current and ELM frequency in H-mode discharges in DIII-D

    International Nuclear Information System (INIS)

    Wade, M.R.; Hillis, D.L.; Hogan, J.T.; Finkenthal, D.F.; West, W.P.; Burrell, K.H.; Seraydarian, R.P.

    1993-05-01

    The removal of helium (He) ash from the plasma core with high efficiency to prevent dilution of the D-T fuel mixture is of utmost importance for future fusion devices, such as the International Thermonuclear Experimental Reactor (ITER). A variety of measurements in L-mode conditions have shown that the intrinsic level of helium transport from the core to the edge may be sufficient to prevent sufficient dilution (i.e., τ He /τ E < 5). Preliminary measurements in biased-induced, limited H-mode discharges in TEXTOR suggest that the intrinsic helium transport properties may not be as favorable. If this trend is shown also in diverted H-mode plasmas, then scenarios based on ELMing H-modes would be less desirable. To further establish the database on helium transport in H-mode conditions, recent studies on the DIII-D tokamak have focused on determining helium transport properties in H-mode conditions and the dependence of these properties on plasma current and ELM frequency

  5. The study of thermodynamic properties and transport properties of multicomponent systems with chemical reactions

    Directory of Open Access Journals (Sweden)

    Samujlov E.

    2013-04-01

    Full Text Available In case of system with chemical reaction the most important properties are heat conductivity and heat capacity. In this work we have considered the equation for estimate the component of these properties caused by chemical reaction and ionization processes. We have evaluated the contribution of this part in heat conductivity and heat capacity too. At the high temperatures contribution in heat conductivity from ionization begins to play an important role. We have created a model, which describe partial and full ionization of gases and gas mixtures. In addition, in this work we present the comparison of our result with experimental data and data from numerical simulation. We was used the data about transport properties of middle composition of Russian coals and the data of thermophysical properties of natural gas for comparison.

  6. Electronic transport properties of 4f shell elements of liquid metal using hard sphere Yukawa system

    Science.gov (United States)

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

    2018-04-01

    The electronic transport properties are analyzed for 4f shell elements of liquid metals. To examine the electronic transport properties like electrical resistivity (ρ), thermal conductivity (σ) and thermo electrical power (Q), we used our own parameter free model potential with the Hard Sphere Yukawa (HSY) reference system. The screening effect on aforesaid properties has been examined by using different screening functions like Hartree (H), Taylor (T) and Sarkar (S). The correlations of our resultsand other data with available experimental values are intensely promising. Also, we conclude that our newly constructed parameter free model potential is capable of explaining the above mentioned electronic transport properties.

  7. Charge transport properties of metal/metal-phthalocyanine/n-Si structures

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Afzal

    2010-12-16

    In present work the charge transport properties of metal/metal-phthalocyanine/n-Si structures with low (N{sub D} = 4 x 10{sup 14} cm{sup -3}), medium (N{sub D}=1 x 10{sup 16} cm{sup -3}) and high (N{sub D}=2 x 10{sup 19} cm{sup -3}) doped n-Si as injecting electrode and the effect of air exposure of the vacuum evaporated metal-phthalocyanine film in these structures is investigated. The results obtained through temperature dependent electrical characterizations of the structures suggest that in terms of dominant conduction mechanism in the corresponding devices Schottky-type conduction mechanism dominates the charge transport in low-bias region of these devices up to 0.8 V, 0.302 V and 0.15 V in case of low, medium and high doped n-Silicon devices. For higher voltages, in each case of devices, the space-charge-limited conduction, controlled by exponential trap distribution, is found to dominate the charge transport properties of the devices. The interface density of states at the CuPc/n-Si interface of the devices are found to be lower in case of lower work function difference at the CuPc/n-Si interface of the devices. The results also suggest that the work function difference at the CuPc/n-Si interface of these devices causes charge transfer at the interface and these phenomena results in formation of interface dipole. The width of the Schottky depletion region at the CuPc/n-Si interface of these devices is found to be higher with higher work function difference at the interface. The investigation of charge transport properties of Al/ZnPc/medium n-Si and Au/ZnPc/ medium n-Si devices suggest that the Schottky depletion region formed at the ZnPc/n-Si interface of these devices determines the charge transport in the low-bias region of both the devices. Therefore, the Schottky-type (injection limited) and the space-charge-limited (bulk limited) conduction are observed in the low and the high bias regions of these devices, respectively. The determined width of the

  8. Coupled light transport-heat diffusion model for laser dosimetry with dynamic optical properties

    International Nuclear Information System (INIS)

    London, R.A.; Glinsky, M.E.; Zimmerman, G.B.; Eder, D.C.; Jacques, S.L.

    1995-01-01

    The effect of dynamic optical properties on the spatial distribution of light in laser therapy is studied via numerical simulations. A two-dimensional, time dependent computer program called LATIS is used. Laser light transport is simulated with a Monte Carlo technique including anisotropic scattering and absorption. Thermal heat transport is calculated with a finite difference algorithm. Material properties are specified on a 2-D mesh and can be arbitrary functions of space and time. Arrhenius rate equations are solved for tissue damage caused by elevated temperatures. Optical properties are functions of tissue damage, as determined by previous measurements. Results are presented for the time variation of the light distribution and damage within the tissue as the optical properties of the tissue are altered

  9. Theoretical prediction of the electronic transport properties of the Al-Cu alloys based on the first-principle calculation and Boltzmann transport equation

    Science.gov (United States)

    Choi, Garam; Lee, Won Bo

    Metal alloys, especially Al-based, are commonly-used materials for various industrial applications. In this paper, the Al-Cu alloys with varying the Al-Cu ratio were investigated based on the first-principle calculation using density functional theory. And the electronic transport properties of the Al-Cu alloys were carried out using Boltzmann transport theory. From the results, the transport properties decrease with Cu-containing ratio at the temperature from moderate to high, but with non-linearity. It is inferred by various scattering effects from the calculation results with relaxation time approximation. For the Al-Cu alloy system, where it is hard to find the reliable experimental data for various alloys, it supports understanding and expectation for the thermal electrical properties from the theoretical prediction. Theoretical and computational soft matters laboratory.

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

    International Nuclear Information System (INIS)

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

    2010-01-01

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

  11. 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

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

    International Nuclear Information System (INIS)

    He, Jun; Chen, Ke-Qiu

    2012-01-01

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

  13. First-principles-based study of transport properties of Fe thin films on Cu surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kishi, Tomoya [Department of Applied Physics, Osaka University, Suita, Osaka 565-0871 (Japan); Kasai, Hideaki [Department of Applied Physics, Osaka University, Suita, Osaka 565-0871 (Japan); Nakanishi, Hiroshi [Department of Applied Physics, Osaka University, Suita, Osaka 565-0871 (Japan); Dino, Wilson Agerico [Department of Applied Physics, Osaka University, Suita, Osaka 565-0871 (Japan); Komori, Fumio [Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8587 (Japan)

    2004-12-08

    We investigate the transport properties of Fe thin films on Cu(111) based on first principles calculation. We calculate the electron current through these Fe thin films, which can be observed by using a double-tipped scanning tunnelling microscope. We find that the conductance is majority spin polarized. On the basis of the band structures for this system, we discuss the origin of these interesting transport properties.

  14. First-principles-based study of transport properties of Fe thin films on Cu surfaces

    International Nuclear Information System (INIS)

    Kishi, Tomoya; Kasai, Hideaki; Nakanishi, Hiroshi; Dino, Wilson Agerico; Komori, Fumio

    2004-01-01

    We investigate the transport properties of Fe thin films on Cu(111) based on first principles calculation. We calculate the electron current through these Fe thin films, which can be observed by using a double-tipped scanning tunnelling microscope. We find that the conductance is majority spin polarized. On the basis of the band structures for this system, we discuss the origin of these interesting transport properties

  15. High-pressure transport properties of CrB{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Regnat, Alexander; Becker, Julian; Spallek, Jan; Bauer, Andreas; Chacon, Alfonso; Ritz, Robert; Pfleiderer, Christian [Physik-Department, Technische Universitaet Muenchen, D-85748 Garching (Germany); Blum, Christian; Wurmehl, Sabine [Leibniz Institute for Solid State and Materials Research IFW, D-01171 Dresden (Germany)

    2015-07-01

    High quality single crystals of the itinerant antiferromagnet CrB{sub 2}, T{sub N} = 88 K, were grown by means of optical float zoning. Bulk, transport and de Haas-van Alphen measurements were carried out. Here, we present a comprehensive study of the high-pressure transport properties. Samples were investigated under hydrostatic, uniaxial and quasi-hydrostatic conditions. As a result we are able to attribute contradictory reports for the pressure dependence of T{sub N} to uniaxial strain. Perhaps most interestingly, we find a pronounced low temperature resistivity anomaly around 3 GPa in the quasi-hydrostatic case.

  16. Magneto-transport properties of a random distribution of few-layer graphene patches

    International Nuclear Information System (INIS)

    Iacovella, Fabrice; Mitioglu, Anatolie; Pierre, Mathieu; Raquet, Bertrand; Goiran, Michel; Plochocka, Paulina; Escoffier, Walter; Trinsoutrot, Pierre; Vergnes, Hugues; Caussat, Brigitte; Conédéra, Véronique

    2014-01-01

    In this study, we address the electronic properties of conducting films constituted of an array of randomly distributed few layer graphene patches and investigate on their most salient galvanometric features in the moderate and extreme disordered limit. We demonstrate that, in annealed devices, the ambipolar behaviour and the onset of Landau level quantization in high magnetic field constitute robust hallmarks of few-layer graphene films. In the strong disorder limit, however, the magneto-transport properties are best described by a variable-range hopping behaviour. A large negative magneto-conductance is observed at the charge neutrality point, in consistency with localized transport regime

  17. The heat and moisture transport properties of wet porous media

    International Nuclear Information System (INIS)

    Wang, B.X.; Fang, Z.H.; Yu, W.P.

    1989-01-01

    Existing methods for determining heat and moisture transport properties in porous media are briefly reviewed, and their merits and deficiencies are discussed. Emphasis is placed on research in developing new transient methods undertaken in China during the recent years. An attempt has been made to relate the coefficients in the heat and mass transfer equations with inherent properties of the liquid and matrix and then to predict these coefficients based on limited measurements

  18. Cell Membrane Transport Mechanisms: Ion Channels and Electrical Properties of Cell Membranes.

    Science.gov (United States)

    Kulbacka, Julita; Choromańska, Anna; Rossowska, Joanna; Weżgowiec, Joanna; Saczko, Jolanta; Rols, Marie-Pierre

    2017-01-01

    Cellular life strongly depends on the membrane ability to precisely control exchange of solutes between the internal and external (environmental) compartments. This barrier regulates which types of solutes can enter and leave the cell. Transmembrane transport involves complex mechanisms responsible for passive and active carriage of ions and small- and medium-size molecules. Transport mechanisms existing in the biological membranes highly determine proper cellular functions and contribute to drug transport. The present chapter deals with features and electrical properties of the cell membrane and addresses the questions how the cell membrane accomplishes transport functions and how transmembrane transport can be affected. Since dysfunctions of plasma membrane transporters very often are the cause of human diseases, we also report how specific transport mechanisms can be modulated or inhibited in order to enhance the therapeutic effect.

  19. Growth and anisotropic transport properties of self-assembled InAs nanostructures in InP

    International Nuclear Information System (INIS)

    Bierwagen, O.

    2007-01-01

    Self-assembled InAs nanostructures in InP, comprising quantum wells, quantum wires, and quantum dots, are studied in terms of their formation and properties. In particular, the structural, optical, and anisotropic transport properties of the nanostructures are investigated. The focus is a comprehending exploration of the anisotropic in-plane transport in large ensembles of laterally coupled InAs nanostructures. The self-assembled Stranski-Krastanov growth of InAs nanostructures is studied by gas-source molecular beam epitaxy on both nominally oriented and vicinal InP(001). Optical polarization of the interband transitions arising from the nanostructure type is demonstrated by photoluminescence and transmission spectroscopy. The experimentally convenient four-contact van der Pauw Hall measurement of rectangularly shaped semiconductors, usually applied to isotropic systems, is extended to yield the anisotropic transport properties. Temperature dependent transport measurements are performed in large ensembles of laterally closely spaced nanostructures. The transport of quantum wire-, quantum dash- and quantum dot containing samples is highly anisotropic with the principal axes of conductivity aligned to the directions. The direction of higher mobility is [ anti 110], which is parallel to the direction of the quantum wires. In extreme cases, the anisotropies exceed 30 for electrons, and 100 for holes. The extreme anisotropy for holes is due to diffusive transport through extended states in the [ anti 110], and hopping transport through laterally localized states in the [110] direction, within the same sample. A novel 5-terminal electronic switching device based on gate-controlled transport anisotropy is proposed. The gate-control of the transport anisotropy in modulation-doped, self-organized InAs quantum wires embedded in InP is demonstrated. (orig.)

  20. Growth and anisotropic transport properties of self-assembled InAs nanostructures in InP

    Energy Technology Data Exchange (ETDEWEB)

    Bierwagen, O.

    2007-12-20

    Self-assembled InAs nanostructures in InP, comprising quantum wells, quantum wires, and quantum dots, are studied in terms of their formation and properties. In particular, the structural, optical, and anisotropic transport properties of the nanostructures are investigated. The focus is a comprehending exploration of the anisotropic in-plane transport in large ensembles of laterally coupled InAs nanostructures. The self-assembled Stranski-Krastanov growth of InAs nanostructures is studied by gas-source molecular beam epitaxy on both nominally oriented and vicinal InP(001). Optical polarization of the interband transitions arising from the nanostructure type is demonstrated by photoluminescence and transmission spectroscopy. The experimentally convenient four-contact van der Pauw Hall measurement of rectangularly shaped semiconductors, usually applied to isotropic systems, is extended to yield the anisotropic transport properties. Temperature dependent transport measurements are performed in large ensembles of laterally closely spaced nanostructures. The transport of quantum wire-, quantum dash- and quantum dot containing samples is highly anisotropic with the principal axes of conductivity aligned to the <110> directions. The direction of higher mobility is [ anti 110], which is parallel to the direction of the quantum wires. In extreme cases, the anisotropies exceed 30 for electrons, and 100 for holes. The extreme anisotropy for holes is due to diffusive transport through extended states in the [ anti 110], and hopping transport through laterally localized states in the [110] direction, within the same sample. A novel 5-terminal electronic switching device based on gate-controlled transport anisotropy is proposed. The gate-control of the transport anisotropy in modulation-doped, self-organized InAs quantum wires embedded in InP is demonstrated. (orig.)

  1. Elastic and transport properties in polycrystals of crackedgrains: Cross-property relations and microstructure

    Energy Technology Data Exchange (ETDEWEB)

    Berryman, J.G.

    2007-10-02

    Some arguments of Bristow (1960) concerning the effects of cracks on elastic and transport (i.e., electrical or thermal conduction) properties of cold-worked metals are reexamined. The discussion is posed in terms of a modern understanding of bounds and estimates for physical properties of polycrystals--in contrast to Bristow's approach using simple mixture theory. One type of specialized result emphasized here is the cross-property estimates and bounds that can be obtained using the methods presented. Our results ultimately agree with those of Bristow, i.e., confirming that microcracking is not likely to be the main cause of the observed elastic behavior of cold-worked metals. However, it also becomes clear that the mixture theory approach to the analysis is too simple and that crack-crack interactions are necessary for proper quantitative study of Bristow's problem.

  2. Dc-transport properties of ferromagnetic (Ga,Mn)As semiconductors

    Czech Academy of Sciences Publication Activity Database

    Jungwirth, Tomáš; Sinova, J.; Wang, K. Y.; Edmonds, K. W.; Campion, R. P.; Gallagher, B. L.; Foxon, C. T.; Niu, Q.; MacDonald, A. H.

    2003-01-01

    Roč. 83, č. 2 (2003), s. 320-322 ISSN 0003-6951 R&D Projects: GA ČR GA202/02/0912 Institutional research plan: CEZ:AV0Z1010914 Keywords : ferromagnetic semiconductors * dc transport properties * (Ga, Mn)As Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.049, year: 2003

  3. Additively manufactured metallic porous biomaterials based on minimal surfaces: A unique combination of topological, mechanical, and mass transport properties.

    Science.gov (United States)

    Bobbert, F S L; Lietaert, K; Eftekhari, A A; Pouran, B; Ahmadi, S M; Weinans, H; Zadpoor, A A

    2017-04-15

    Porous biomaterials that simultaneously mimic the topological, mechanical, and mass transport properties of bone are in great demand but are rarely found in the literature. In this study, we rationally designed and additively manufactured (AM) porous metallic biomaterials based on four different types of triply periodic minimal surfaces (TPMS) that mimic the properties of bone to an unprecedented level of multi-physics detail. Sixteen different types of porous biomaterials were rationally designed and fabricated using selective laser melting (SLM) from a titanium alloy (Ti-6Al-4V). The topology, quasi-static mechanical properties, fatigue resistance, and permeability of the developed biomaterials were then characterized. In terms of topology, the biomaterials resembled the morphological properties of trabecular bone including mean surface curvatures close to zero. The biomaterials showed a favorable but rare combination of relatively low elastic properties in the range of those observed for trabecular bone and high yield strengths exceeding those reported for cortical bone. This combination allows for simultaneously avoiding stress shielding, while providing ample mechanical support for bone tissue regeneration and osseointegration. Furthermore, as opposed to other AM porous biomaterials developed to date for which the fatigue endurance limit has been found to be ≈20% of their yield (or plateau) stress, some of the biomaterials developed in the current study show extremely high fatigue resistance with endurance limits up to 60% of their yield stress. It was also found that the permeability values measured for the developed biomaterials were in the range of values reported for trabecular bone. In summary, the developed porous metallic biomaterials based on TPMS mimic the topological, mechanical, and physical properties of trabecular bone to a great degree. These properties make them potential candidates to be applied as parts of orthopedic implants and/or as bone

  4. Anomalous solute transport in saturated porous media: Relating transport model parameters to electrical and nuclear magnetic resonance properties

    Science.gov (United States)

    Swanson, Ryan D; Binley, Andrew; Keating, Kristina; France, Samantha; Osterman, Gordon; Day-Lewis, Frederick D.; Singha, Kamini

    2015-01-01

    The advection-dispersion equation (ADE) fails to describe commonly observed non-Fickian solute transport in saturated porous media, necessitating the use of other models such as the dual-domain mass-transfer (DDMT) model. DDMT model parameters are commonly calibrated via curve fitting, providing little insight into the relation between effective parameters and physical properties of the medium. There is a clear need for material characterization techniques that can provide insight into the geometry and connectedness of pore spaces related to transport model parameters. Here, we consider proton nuclear magnetic resonance (NMR), direct-current (DC) resistivity, and complex conductivity (CC) measurements for this purpose, and assess these methods using glass beads as a control and two different samples of the zeolite clinoptilolite, a material that demonstrates non-Fickian transport due to intragranular porosity. We estimate DDMT parameters via calibration of a transport model to column-scale solute tracer tests, and compare NMR, DC resistivity, CC results, which reveal that grain size alone does not control transport properties and measured geophysical parameters; rather, volume and arrangement of the pore space play important roles. NMR cannot provide estimates of more-mobile and less-mobile pore volumes in the absence of tracer tests because these estimates depend critically on the selection of a material-dependent and flow-dependent cutoff time. Increased electrical connectedness from DC resistivity measurements are associated with greater mobile pore space determined from transport model calibration. CC was hypothesized to be related to length scales of mass transfer, but the CC response is unrelated to DDMT.

  5. Which key properties controls the preferential transport in the vadose zone under transient hydrological conditions

    Science.gov (United States)

    Groh, J.; Vanderborght, J.; Puetz, T.; Gerke, H. H.; Rupp, H.; Wollschlaeger, U.; Stumpp, C.; Priesack, E.; Vereecken, H.

    2015-12-01

    Understanding water flow and solute transport in the unsaturated zone is of great importance for an appropriate land use management strategy. The quantification and prediction of water and solute fluxes through the vadose zone can help to improve management practices in order to limit potential risk on our fresh water resources. Water related solute transport and residence time is strongly affected by preferential flow paths in the soil. Water flow in soils depends on soil properties and site factors (climate or experiment conditions, land use) and are therefore important factors to understand preferential solute transport in the unsaturated zone. However our understanding and knowledge of which on-site properties or conditions define and enhance preferential flow and transport is still poor and mostly limited onto laboratory experimental conditions (small column length and steady state boundary conditions). Within the TERENO SOILCan lysimeter network, which was designed to study the effects of climate change on soil functions, a bromide tracer was applied on 62 lysimeter at eight different test sites between Dec. 2013 and Jan. 2014. The TERENO SOILCan infrastructure offers the unique possibility to study the occurrence of preferential flow and transport of various soil types under different natural transient hydrological conditions and land use (crop, bare and grassland) at eight TERENO SOILCan observatories. Working with lysimeter replicates at each observatory allows defining the spatial variability of preferential transport and flow. Additionally lysimeters in the network were transferred within and between observatories in order to subject them to different rainfall and temperature regimes and enable us to relate the soil type susceptibility of preferential flow and transport not only to site specific physical and land use properties, but also to different transient boundary conditions. Comparison and statistical analysis between preferential flow indicators 5

  6. Electron transport properties of some new 4-tert-butylcalix[4]arene derivatives in thin films

    Energy Technology Data Exchange (ETDEWEB)

    Leontie, Liviu, E-mail: lleontie@uaic.ro [Faculty of Physics, Alexandru Ioan Cuza University of Iasi, B-dul Carol I, Nr. 11, 700506 Iasi (Romania); Danac, Ramona [Faculty of Chemistry, Alexandru Ioan Cuza University of Iasi, B-dul Carol I, Nr. 11, 700506 Iasi (Romania); Girtan, Mihaela [Laboratoire LPhiA, Angers University, 2, Bd. Lavoisier, 49045, Angers (France); Carlescu, Aurelian; Rambu, Alicia Petronela; Rusu, Gheorghe I. [Faculty of Physics, Alexandru Ioan Cuza University of Iasi, B-dul Carol I, Nr. 11, 700506 Iasi (Romania)

    2012-07-16

    Temperature dependences of electric conductivity and thermoelectric power of some recently synthesized organic compounds, 4-tert-butylcalix[4]arene derivatives, are studied. Thin-film samples (d = 0.10-0.40 {mu}m) spin-coated from chloroform solutions onto glass substrates were used. Organic films with reproducible electron transport properties can be obtained if, after deposition, they are submitted to a heat treatment within temperature range of 295-575 K. The studied polycrystalline compounds show typical p-type semiconductor behavior. The activation energy of the electric conduction ranges between 0.82 and 1.12 eV, while the ratio of charge carrier mobilities was found in the range of 0.83-0.94. Some correlations between semiconducting parameters and molecular structure of the organic compounds have been discussed. In the higher temperature ranges (T > 420 K), the electron transport in examined compounds can be interpreted in terms of the band gap representation model, while in the lower temperature range, the Mott's variable-range hopping conduction model was found to be appropriate. The investigated compounds hold promise for thermistor applications. - Highlights: Black-Right-Pointing-Pointer 4-tert-butylcalix(4)arene derivatives in thin films are p-type semiconductors. Black-Right-Pointing-Pointer The electron transfer is favored by their extended conjugation and packing capacity. Black-Right-Pointing-Pointer The band gap representation is suitable in the higher temperature range. Black-Right-Pointing-Pointer The Mott's VRH conduction model may be applied in the lower temperature range. Black-Right-Pointing-Pointer As-prepared organic compounds are promising for thermistor applications.

  7. Electron transport properties of some new 4-tert-butylcalix[4]arene derivatives in thin films

    International Nuclear Information System (INIS)

    Leontie, Liviu; Danac, Ramona; Girtan, Mihaela; Carlescu, Aurelian; Rambu, Alicia Petronela; Rusu, Gheorghe I.

    2012-01-01

    Temperature dependences of electric conductivity and thermoelectric power of some recently synthesized organic compounds, 4-tert-butylcalix[4]arene derivatives, are studied. Thin-film samples (d = 0.10–0.40 μm) spin-coated from chloroform solutions onto glass substrates were used. Organic films with reproducible electron transport properties can be obtained if, after deposition, they are submitted to a heat treatment within temperature range of 295–575 K. The studied polycrystalline compounds show typical p-type semiconductor behavior. The activation energy of the electric conduction ranges between 0.82 and 1.12 eV, while the ratio of charge carrier mobilities was found in the range of 0.83–0.94. Some correlations between semiconducting parameters and molecular structure of the organic compounds have been discussed. In the higher temperature ranges (T > 420 K), the electron transport in examined compounds can be interpreted in terms of the band gap representation model, while in the lower temperature range, the Mott's variable-range hopping conduction model was found to be appropriate. The investigated compounds hold promise for thermistor applications. - Highlights: ► 4-tert-butylcalix(4)arene derivatives in thin films are p-type semiconductors. ► The electron transfer is favored by their extended conjugation and packing capacity. ► The band gap representation is suitable in the higher temperature range. ► The Mott's VRH conduction model may be applied in the lower temperature range. ► As-prepared organic compounds are promising for thermistor applications.

  8. 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)

  9. 78 FR 9451 - Academy Express, L.L.C.-Acquisition of Property-Golden Ring Travel & Transportation, Inc.

    Science.gov (United States)

    2013-02-08

    ..., L.L.C.--Acquisition of Property--Golden Ring Travel & Transportation, Inc. AGENCY: Surface... authority under 49 U.S.C. 14303 to acquire the property of Golden Ring Travel & Transportation, Inc. (Golden... approximately 400 motor coaches and more than 500 drivers. Academy is indirectly controlled by the Tedesco...

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

    Science.gov (United States)

    Sun, Lifeng; Fang, Chao; Guo, Yong

    2010-09-01

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

  11. Transport properties through graphene grain boundaries: strain effects versus lattice symmetry

    Science.gov (United States)

    Hung Nguyen, V.; Hoang, Trinh X.; Dollfus, P.; Charlier, J.-C.

    2016-06-01

    As most materials available at the macroscopic scale, graphene samples usually appear in a polycrystalline form and thus contain grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene grain boundaries is investigated using atomistic simulations. A systematic picture of transport properties with respect to the strain and lattice symmetry of graphene domains on both sides of the boundary is provided. In particular, it is shown that strain engineering can be used to open a finite transport gap in all graphene systems where the two domains are arranged in different orientations. This gap value is found to depend on the strain magnitude, on the strain direction and on the lattice symmetry of graphene domains. By choosing appropriately the strain direction, a large transport gap of a few hundred meV can be achieved when applying a small strain of only a few percents. For a specific class of graphene grain boundary systems, strain engineering can also be used to reduce the scattering on defects and thus to significantly enhance the conductance. With a large strain-induced gap, these graphene heterostructures are proposed to be promising candidates for highly sensitive strain sensors, flexible electronic devices and p-n junctions with non-linear I-V characteristics.

  12. Thermoelectric transport properties of BaBiTe{sub 3}-based materials

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Yiming; Zhao, Li-Dong, E-mail: zhaolidong@buaa.edu.cn

    2017-05-15

    BaBiTe{sub 3}, a material with low thermal conductivity, is an inferior thermoelectric material due to the poor electrical properties originated from its narrow band gap. We choose two types of dopants, K and La, trying to optimize its electrical transport properties. The minority carriers, which harm the Seebeck coefficient in this system, are suppressed by La doping. With the increase of both electrical conductivity and Seebeck coefficient, the power factor of 3% La doped BaBiTe{sub 3} reaches 3.7 μW cm{sup −1} K{sup −2} which increased by 40% from undoped BaBiTe{sub 3}. Besides high power factor, the thermal conductivity is also reduced in it. Eventually, a high ZT value, 0.25 at 473 K, for n-type BaBiTe{sub 3} is achieved in 3% La doped BaBiTe{sub 3}. - Graphical abstract: BaBiTe{sub 3} possesses a low thermal conductivity. However, it is an inferior thermoelectric material due to the poor electrical properties originated from its narrow band gap. A high ZT value of 0.25 at 473 K for n-type BaBiTe{sub 3} can be achieved through optimizing electrical transport properties via La doping. - Highlights: • BaBiTe{sub 3} is an analogue of these promising thermoelectric materials: such as CsBi{sub 4}Te{sub 6} and K{sub 2}Bi{sub 8}Se{sub 13}, etc. • BaBiTe{sub 3} possesses a low thermal conductivity. • La is an effective dopant to enhance electrical transport properties. • A high ZT value of 0.25 at 473 K can be achieved in n-type La-doped BaBiTe{sub 3}.

  13. Magnetic and transport properties of Co–Cu microwires with granular structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhukova, V., E-mail: valentina.zhukova@ehu.es [Dpto. de Física de Materiales, Fac. Químicas, UPV/EHU, 20018, San Sebastián (Spain); Garcia, C. [Bogazici Univ., Dept Phys, TR-34342 Istanbul (Turkey); Departamento de Fisica, Universidad Técnica Federico Santa María, P.O. Box 110-V, Valparaiso (Chile); Val, J.J. del; Ilyn, M. [Dpto. de Física de Materiales, Fac. Químicas, UPV/EHU, 20018, San Sebastián (Spain); Granovsky, A. [Dpto. de Física de Materiales, Fac. Químicas, UPV/EHU, 20018, San Sebastián (Spain); Moscow State University, Moscow, Phys. Faculty, 119991 (Russian Federation); Zhukov, A. [Dpto. de Física de Materiales, Fac. Químicas, UPV/EHU, 20018, San Sebastián (Spain); IKERBASQUE, Basque Foundation for Science, 48011 Bilbao (Spain)

    2013-09-30

    Magnetic, transport and structural properties of granular Co{sub x}–Cu{sub 100−x} (5 < x < 40 at.%) glass-coated microwires were studied. Co–Cu microwires exhibited giant magnetoresistance (GMR) effect. For x = 5% we observed the resistivity minimum at 40 K associated with the Kondo effect. For x > 10 partial evidences of granular structure have been observed. For x ≥ 30 anisotropic contribution to GMR has been observed giving rise to non-monotonic dependence of GMR on the field. Temperature dependence of magnetization measured during a cooling regime without external magnetic field and in the presence of the field shows considerable difference at low temperatures, being attributed to the presence of small Co grains embedded in the Cu matrix. By X-ray diffraction we found, that the structure of the metallic nucleus is granular consisting of two phases: fcc Cu appearing in all the samples and fcc α-Co presented only in microwires with higher Co content. For low Co content (x ≤ 10%) X-ray diffraction technique indicates that Co atoms are distributed within the Cu crystals. The quantity and the crystallite size of the formed phases strongly depend on the geometry of the microwire. The structure, magnetic and transport properties were affected by the glass coating inducing the internal stresses and affecting the quenching rate. - Highlights: ► Systematic study of magnetic and transport properties of Co-Cu microwires. ► Observation of Giant Magnetoresistance effect in Co{sub x}Cu100{sub −x} microwires. ► Observation of Kondo-like behavior in Co{sub x}Cu100{sub −x} at lower Co content (5%). ► Discussions of the effect of internal stresses on the properties of Co-Cu microwires. ► Discussion of the effect of composition on the properties of Co-Cu microwires.

  14. Transport properties of magnetic atom bridges controlled by a scanning tunneling microscope

    International Nuclear Information System (INIS)

    Nakanishi, H.; Kishi, T.; Kasai, H.; Komori, F.; Okiji, A.

    2003-01-01

    We have investigated the transport and magnetic properties of the atom bridge made from magnetic materials, which is the atom-scale wire constructed between a scanning tunneling microscope (STM) tip and a solid surface, by the use of ab initio calculations. In the case of the twisted ladder structure atom bridge made of Fe, we have found that the magnetic state of the bridge changes from ferromagnetic to paramagnetic, as we compress the bridge in length. We report the spin dependent quantized conductance of the bridge. And we discuss the origin of a change in transport properties as we compress the bridge in length

  15. Computer program for calculation of complex chemical equilibrium compositions and applications. Supplement 1: Transport properties

    Science.gov (United States)

    Gordon, S.; Mcbride, B.; Zeleznik, F. J.

    1984-01-01

    An addition to the computer program of NASA SP-273 is given that permits transport property calculations for the gaseous phase. Approximate mixture formulas are used to obtain viscosity and frozen thermal conductivity. Reaction thermal conductivity is obtained by the same method as in NASA TN D-7056. Transport properties for 154 gaseous species were selected for use with the program.

  16. Effect of Fast Neutron Irradiation on Current Transport Properties of HTS Materials

    CERN Document Server

    Ballarino, A; Kruglov, V S; Latushkin, S T; Lubimov, A N; Ryazanov, A I; Shavkin, S V; Taylor, T M; Volkov, P V

    2004-01-01

    The effect of fast neutron irradiation with energy up to 35 MeV and integrated fluence of up to 5 x 10**15 cm-2 on the current transport properties of HTS materials Bi-2212 and Bi-2223 has been studied, both at liquid nitrogen and at room temperatures. The samples irradiated were selected after verification of the stability of their superconducting properties after temperature cycling in the range of 77 K - 293 K. It has been found that the irradiation by fast neutrons up to the above dose does not produce a significant degradation of critical current. The effect of room temperature annealing on the recovery of transport properties of the irradiated samples is also reported, as is a preliminary microstructure investigation of the effect of irradiation on the soldered contacts.

  17. Transport properties of the topological Kondo insulator SmB6 under the irradiation of light

    International Nuclear Information System (INIS)

    Zhu Guo-Bao; Yang Hui-Min

    2016-01-01

    In this paper, we study transport properties of the X point in the Brillouin zone of the topological Kondo insulator SmB 6 under the application of a circularly polarized light. The transport properties at high-frequency regime and low-frequency regime as a function of the ratio ( κ ) of the Dresselhaus-like and Rashba-like spin–orbit parameter are studied based on the Floquet theory and Boltzmann equation respectively. The sign of Hall conductivity at high-frequency regime can be reversed by the ratio κ and the amplitude of the light. The amplitude of the current can be enhanced by the ratio κ . Our findings provide a way to control the transport properties of the Dirac materials at low-frequency regime. (paper)

  18. The Effect of Voltage Charging on the Transport Properties of Gold Nanotube Membranes.

    Science.gov (United States)

    Experton, Juliette; Martin, Charles R

    2018-05-01

    Porous membranes are used in chemical separations and in many electrochemical processes and devices. Research on the transport properties of a unique class of porous membranes that contain monodisperse gold nanotubes traversing the entire membrane thickness is reviewed here. These gold nanotubes can act as conduits for ionic and molecular transports through the membrane. Because the tubes are electronically conductive, they can be electrochemically charged by applying a voltage to the membrane. How this "voltage charging" affects the transport properties of gold nanotube membranes is the subject of this Review. Experiments showing that voltage charging can be used to reversibly switch the membrane between ideally cation- and anion-transporting states are reviewed. Voltage charging can also be used to enhance the ionic conductivity of gold nanotube membranes. Finally, voltage charging to accomplish electroporation of living bacteria as they pass through gold nanotube membranes is reviewed. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Thermodynamic and transport properties of liquid gallium

    International Nuclear Information System (INIS)

    Park, H.Y.; Jhon, M.S.

    1982-01-01

    The significant structure theory of liquids has been successfully applied to liquid gallium. In this work, we have assumed that two structures exist simultaneously in liquid gallium. One is considerec as loosely close packed β-Ga-like structure and the other is remainder of solid α-Ga or α-Ga-like structure. This two structural model is introduced to construct the liquid partition function. Using the partition function, the thermodynamic and transport properties are calculated ever a wide temperature range. The calculated results are quite satisfactory when compared with the experimental results. (Author)

  20. Minimizing performance degradation induced by interfacial recombination in perovskite solar cells through tailoring of the transport layer electronic properties

    Directory of Open Access Journals (Sweden)

    Liang Xu

    2018-03-01

    Full Text Available The performance of hybrid organic-inorganic metal halide perovskite solar cells is investigated using one-dimensional drift-diffusion device simulations. We study the effects of interfacial defect density, doping concentration, and electronic level positions of the charge transport layer (CTL. Choosing CTLs with a favorable band alignment, rather than passivating CTL-perovskite interfacial defects, is shown to be beneficial for maintaining high power-conversion efficiency, due to reduced minority carrier density arising from a favorable local electric field profile. Insights from this study provide theoretical guidance on practical selection of CTL materials for achieving high-performance perovskite solar cells.

  1. Flow and transport in unsaturated fractured rock: Effects of multiscale heterogeneity of hydrogeologic properties

    International Nuclear Information System (INIS)

    Zhou, Quanlin; Liu, Hui-Hai; Bodvarsson, Gudmundur S.; Oldenburg, Curtis M.

    2002-01-01

    The heterogeneity of hydrogeologic properties at different scales may have different effects on flow and transport processes in a subsurface system. A model for the unsaturated zone of Yucca Mountain, Nevada, is developed to represent complex heterogeneity at two different scales: (1) layer scale corresponding to geologic layering and (2) local scale. The layer-scale hydrogeologic properties are obtained using inverse modeling, based on the available measurements collected from the Yucca Mountain site. Calibration results show a significant lateral and vertical variability in matrix and fracture properties. Hydrogeologic property distributions in a two-dimensional, vertical cross section of the site are generated by combining the average layer-scale matrix and fracture properties with local-scale perturbations generated using a stochastic simulation method. The unsaturated water flow and conservative (nonsorbing) tracer transport through the cross section are simulated for different sets of matrix and fracture property fields. Comparison of simulation results indicates that the local-scale heterogeneity of matrix and fracture properties has a considerable effect on unsaturated flow processes, leading to fast flow paths in fractures and the matrix. These paths shorten the travel time of a conservative tracer from the source (repository) horizon in the unsaturated zone to the water table for small fractions of total released tracer mass. As a result, the local-scale heterogeneity also has a noticeable effect on global tracer transport processes, characterized by an average breakthrough curve at the water table, especially at the early arrival time of tracer mass. However, the effect is not significant at the later time after 20 percent tracer mass reaches the water table. The simulation results also verify that matrix diffusion plays an important role in overall solute transport processes in the unsaturated zone at Yucca Mountain

  2. An experimental test plan for the characterization of molten salt thermochemical properties in heat transport systems

    International Nuclear Information System (INIS)

    Calderoni, Pattrick

    2010-01-01

    Molten salts are considered within the Very High Temperature Reactor program as heat transfer media because of their intrinsically favorable thermo-physical properties at temperatures starting from 300 C and extending up to 1200 C. In this context two main applications of molten salt are considered, both involving fluoride-based materials: as primary coolants for a heterogeneous fuel reactor core and as secondary heat transport medium to a helium power cycle for electricity generation or other processing plants, such as hydrogen production. The reference design concept here considered is the Advanced High Temperature Reactor (AHTR), which is a large passively safe reactor that uses solid graphite-matrix coated-particle fuel (similar to that used in gas-cooled reactors) and a molten salt primary and secondary coolant with peak temperatures between 700 and 1000 C, depending upon the application. However, the considerations included in this report apply to any high temperature system employing fluoride salts as heat transfer fluid, including intermediate heat exchangers for gas-cooled reactor concepts and homogeneous molten salt concepts, and extending also to fast reactors, accelerator-driven systems and fusion energy systems. The purpose of this report is to identify the technical issues related to the thermo-physical and thermo-chemical properties of the molten salts that would require experimental characterization in order to proceed with a credible design of heat transfer systems and their subsequent safety evaluation and licensing. In particular, the report outlines an experimental R and D test plan that would have to be incorporated as part of the design and operation of an engineering scaled facility aimed at validating molten salt heat transfer components, such as Intermediate Heat Exchangers. This report builds on a previous review of thermo-physical properties and thermo-chemical characteristics of candidate molten salt coolants that was generated as part

  3. An experimental test plan for the characterization of molten salt thermochemical properties in heat transport systems

    Energy Technology Data Exchange (ETDEWEB)

    Pattrick Calderoni

    2010-09-01

    Molten salts are considered within the Very High Temperature Reactor program as heat transfer media because of their intrinsically favorable thermo-physical properties at temperatures starting from 300 C and extending up to 1200 C. In this context two main applications of molten salt are considered, both involving fluoride-based materials: as primary coolants for a heterogeneous fuel reactor core and as secondary heat transport medium to a helium power cycle for electricity generation or other processing plants, such as hydrogen production. The reference design concept here considered is the Advanced High Temperature Reactor (AHTR), which is a large passively safe reactor that uses solid graphite-matrix coated-particle fuel (similar to that used in gas-cooled reactors) and a molten salt primary and secondary coolant with peak temperatures between 700 and 1000 C, depending upon the application. However, the considerations included in this report apply to any high temperature system employing fluoride salts as heat transfer fluid, including intermediate heat exchangers for gas-cooled reactor concepts and homogenous molten salt concepts, and extending also to fast reactors, accelerator-driven systems and fusion energy systems. The purpose of this report is to identify the technical issues related to the thermo-physical and thermo-chemical properties of the molten salts that would require experimental characterization in order to proceed with a credible design of heat transfer systems and their subsequent safety evaluation and licensing. In particular, the report outlines an experimental R&D test plan that would have to be incorporated as part of the design and operation of an engineering scaled facility aimed at validating molten salt heat transfer components, such as Intermediate Heat Exchangers. This report builds on a previous review of thermo-physical properties and thermo-chemical characteristics of candidate molten salt coolants that was generated as part of the

  4. Electronic structure and quantum transport properties of metallic and semiconducting nanowires

    Science.gov (United States)

    Simbeck, Adam J.

    The future of the semiconductor industry hinges upon new developments to combat the scaling issues that currently afflict two main chip components: transistors and interconnects. For transistors this means investigating suitable materials to replace silicon for both the insulating gate and the semiconducting channel in order to maintain device performance with decreasing size. For interconnects this equates to overcoming the challenges associated with copper when the wire dimensions approach the confinement limit, as well as continuing to develop low-k dielectric materials that can assure minimal cross-talk between lines. In addition, such challenges make it increasingly clear that device design must move from a top-down to a bottom-up approach in which the desired electronic characteristics are tailored from first-principles. It is with such fundamental hurdles in mind that ab initio calculations on the electronic and quantum transport properties of nanoscale metallic and semiconducting wires have been performed. More specifically, this study seeks to elaborate on the role played by confinement, contacts, dielectric environment, edge decoration, and defects in altering the electronic and transport characteristics of such systems. As experiments continue to achieve better control over the synthesis and design of nanowires, these results are expected to become increasingly more important for not only the interpretation of electronic and transport trends, but also in engineering the electronic structure of nanowires for the needs of the devices of the future. For the metallic atomic wires, the quantum transport properties are first investigated by considering finite, single-atom chains of aluminum, copper, gold, and silver sandwiched between gold contacts. Non-equilibrium Green's function based transport calculations reveal that even in the presence of the contact the conductivity of atomic-scale aluminum is greater than that of the other metals considered. This is

  5. Response matrix method for neutron transport in reactor lattices using group symmetry properties

    International Nuclear Information System (INIS)

    Mund, E.H.

    1991-01-01

    This paper describes a response matrix method for the approximate solution of one-velocity, multi-dimensional transport problems in reactor lattices, with isotropic neutron scattering. The transport equation is solved on a homogeneous cell by using a Petrov-Galerkin technique based on a set of trial and test functions (including polynomials and exponential functions) closely related to transport problems in infinite media. The number of non-zero elements of the response matrices reduces to a minimum when the symmetry properties of the cell are included ab initio in the span of the basis functions. To include these properties, use is made of projection operations which are performed very efficiently on symbolic manipulation programs. Numerical results of model problems in square geometry show a good agreement with reference solutions

  6. Synthesis, transport and dielectric properties of polyaniline/Co3O4 ...

    Indian Academy of Sciences (India)

    TECS

    Synthesis, transport and dielectric properties of polyaniline/Co3O4 composites ... Initial increment in conductivity is due to extended chain length of polyaniline where polarons possess .... Figure 3 displays the scanning electron micrograph of.

  7. Statistical properties of turbulent transport and fluctuations in tokamak and stellarator devices

    Energy Technology Data Exchange (ETDEWEB)

    Hidalgo, C; Pedrosa, M A; Milligen, B Van; Sanchez, E; Balbin, R; Garcia-Cortes, I [Euratom-CIEMAT Association, Madrid (Spain); Bleuel, J; Giannone, L.; Niedermeyer, H [Euratom-IPP Association, Garching (Germany)

    1997-05-01

    The statistical properties of fluctuations and turbulent transport have been studied in the plasma boundary region of stellarator (TJ-IU, W7-AS) and tokamak (TJ-I) devices. The local flux probability distribution function shows the bursty character of the flux and presents a systematic change as a function of the radial location. There exist large amplitude transport bursts that account for a significant part of the total flux. There is a strong similarity between the statistical properties of the turbulent fluxes in different devices. The value of the radial coherence associated with fluctuations and turbulent transport is strongly intermittent. This result emphasizes the importance of measurements with time resolution in understanding the interplay between the edge and the core regions in the plasma. For measurements in the plasma edge region of the TJ-IU torsatron, the turbulent flux does not, in general, show a larger radial coherence than the one associated with the fluctuations. (author). 14 refs, 6 figs.

  8. Structural and robustness properties of smart-city transportation networks

    International Nuclear Information System (INIS)

    Zhang Zhen-Gang; Ding Zhuo; Fan Jing-Fang; Chen Xiao-Song; Meng Jun; Ye Fang-Fu; Ding Yi-Min

    2015-01-01

    The concept of smart city gives an excellent resolution to construct and develop modern cities, and also demands infrastructure construction. How to build a safe, stable, and highly efficient public transportation system becomes an important topic in the process of city construction. In this work, we study the structural and robustness properties of transportation networks and their sub-networks. We introduce a complementary network model to study the relevance and complementarity between bus network and subway network. Our numerical results show that the mutual supplement of networks can improve the network robustness. This conclusion provides a theoretical basis for the construction of public traffic networks, and it also supports reasonable operation of managing smart cities. (rapid communication)

  9. Electron transport properties of indium oxide - indium nitride metal-oxide-semiconductor heterostructures

    International Nuclear Information System (INIS)

    Wang, C.Y.; Hauguth, S.; Polyakov, V.; Schwierz, F.; Cimalla, V.; Kups, T.; Himmerlich, M.; Schaefer, J.A.; Krischok, S.; Ambacher, O.; Morales, F.M.; Lozano, J.G.; Gonzalez, D.; Lebedev, V.

    2008-01-01

    The structural, chemical and electron transport properties of In 2 O 3 /InN heterostructures and oxidized InN epilayers are reported. It is shown that the accumulation of electrons at the InN surface can be manipulated by the formation of a thin surface oxide layer. The epitaxial In 2 O 3 /InN heterojunctions show an increase in the electron concentration due to the increasing band banding at the heterointerface. The oxidation of InN results in improved transport properties and in a reduction of the sheet carrier concentration of the InN epilayer very likely caused by a passivation of surface donors. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Transport properties in monolayer-bilayer-monolayer graphene planar junctions

    Institute of Scientific and Technical Information of China (English)

    Kai-Long Chu; Zi-Bo Wang; Jiao-Jiao Zhou; Hua Jiang

    2017-01-01

    The transport study of graphene based junctions has become one of the focuses in graphene research.There are two stacking configurations for monolayer-bilayer-monolayer graphene planar junctions.One is the two monolayer graphene contacting the same side of the bilayer graphene,and the other is the two-monolayer graphene contacting the different layers of the bilayer graphene.In this paper,according to the Landauer-Büttiker formula,we study the transport properties of these two configurations.The influences of the local gate potential in each part,the bias potential in bilayer graphene,the disorder and external magnetic field on conductance are obtained.We find the conductances of the two configurations can be manipulated by all of these effects.Especially,one can distinguish the two stacking configurations by introducing the bias potential into the bilayer graphene.The strong disorder and the external magnetic field will make the two stacking configurations indistinguishable in the transport experiment.

  11. Studies on transport properties of copper doped tungsten diselenide single crystals

    Science.gov (United States)

    Deshpande, M. P.; Parmar, M. N.; Pandya, Nilesh N.; Chaki, Sunil; Bhatt, Sandip V.

    2012-02-01

    During recent years, transition metal dichalcogenides of groups IVB, VB and VIB have received considerable attention because of the great diversity in their transport properties. 2H-WSe 2 (Tungsten diselenide) is an interesting member of the transition metal dichalcogenide (TMDC's) family and known to be a semiconductor useful for photovoltaic and optoelectronic applications. The anisotropy usually observed in this diamagnetic semiconductor material is a result of the sandwich structure of Se-W-Se layers interacting with each other, loosely bonded by the weak Van der Waals forces. Recent efforts in studying the influence of the anisotropic electrical and optical properties of this layered-type transition metal dichalcogenides have been implemented by doping the samples with different alkali group elements. Unfortunately, little work is reported on doping of metals in WSe 2. Therefore, it is proposed in this work to carry out a systematic growth of single crystals of WSe 2 by doping it with copper in different proportions i.e. Cu xWSe 2 ( x=0, 0.5, 1.0) by direct vapour transport technique. Transport properties like low and high temperature resistivity measurements, high pressure resistivity, Seebeck coefficient measurements at low temperature and Hall Effect at room temperature were studied in detail on all these samples. These measurements show that tungsten diselenide single crystals are p-type whereas doped with copper makes it n-type in nature. The results obtained and their implications are discussed in this paper.

  12. Tuning the Transport Properties of Layered Materials for Thermoelectric Applications using First-Principles Calculations

    KAUST Repository

    Saeed, Yasir

    2014-05-11

    Thermoelectric materials can convert waste heat into electric power and thus provide a way to reduce the dependence on fossil fuels. Our aim is to model the underlying materials properties and, in particular, the transport as controlled by electrons and lattice vibrations. The goal is to develop an understanding of the thermoelectric properties of selected materials at a fundamental level. The structural, electronic, optical, and phononic properties are studied in order to tune the transport, focusing on KxRhO2, NaxRhO2, PtSb2 and Bi2Se3. The investigations are based on density functional theory as implemented in the all electron linearized augmented plane wave plus local orbitals WIEN2k and pseudo potential Quantum-ESPRESSO codes. The thermoelectric properties are derived from Boltzmann transport theory under the constant relaxation time approximation, using the BoltzTraP code. We will discuss first the changes in the electronic band structure under variation of the cation concentration in layered KxRhO2 in the 2H phase and NaxRhO2 in the 3R phase. We will also study the hydrated phase. The deformations of the RhO6 octahedra turn out to govern the thermoelectric properties, where the high Seebeck coefficient results from ”pudding mold" bands. We investigate the thermoelectric properties of electron and hole doped PtSb2, which is not a layered material but shares “pudding mold" bands. PtSb2 has a high Seebeck coefficient at room temperature, which increases significantly under As alloying by bandgap opening and reduction of the lattice thermal conductivity. Bi2Se3 (bulk and thin film) has a larger bandgap then the well-known thermoelectric material Bi2Te3, which is important at high temperature. The structural stability, electronic structure, and transport properties of one to six quintuple layers of Bi2Se3 will be discussed. We also address the effect of strain on a single quintuple layer by phonon band structures. We will analyze the electronic and transport

  13. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. II. Application—Effect of quantum confinement and homogeneous strain on Cu conductance

    Science.gov (United States)

    Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Charles, James; Klimeck, Gerhard

    2014-03-01

    The Semi-Empirical tight binding model developed in Part I Hegde et al. [J. Appl. Phys. 115, 123703 (2014)] is applied to metal transport problems of current relevance in Part II. A systematic study of the effect of quantum confinement, transport orientation, and homogeneous strain on electronic transport properties of Cu is carried out. It is found that quantum confinement from bulk to nanowire boundary conditions leads to significant anisotropy in conductance of Cu along different transport orientations. Compressive homogeneous strain is found to reduce resistivity by increasing the density of conducting modes in Cu. The [110] transport orientation in Cu nanowires is found to be the most favorable for mitigating conductivity degradation since it shows least reduction in conductance with confinement and responds most favorably to compressive strain.

  14. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. II. Application—Effect of quantum confinement and homogeneous strain on Cu conductance

    International Nuclear Information System (INIS)

    Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Charles, James; Klimeck, Gerhard

    2014-01-01

    The Semi-Empirical tight binding model developed in Part I Hegde et al. [J. Appl. Phys. 115, 123703 (2014)] is applied to metal transport problems of current relevance in Part II. A systematic study of the effect of quantum confinement, transport orientation, and homogeneous strain on electronic transport properties of Cu is carried out. It is found that quantum confinement from bulk to nanowire boundary conditions leads to significant anisotropy in conductance of Cu along different transport orientations. Compressive homogeneous strain is found to reduce resistivity by increasing the density of conducting modes in Cu. The [110] transport orientation in Cu nanowires is found to be the most favorable for mitigating conductivity degradation since it shows least reduction in conductance with confinement and responds most favorably to compressive strain

  15. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. II. Application—Effect of quantum confinement and homogeneous strain on Cu conductance

    Energy Technology Data Exchange (ETDEWEB)

    Hegde, Ganesh, E-mail: ghegde@purdue.edu; Povolotskyi, Michael; Kubis, Tillmann; Charles, James; Klimeck, Gerhard, E-mail: gekco@purdue.edu [Network for Computational Nanotechnology (NCN), Department of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States)

    2014-03-28

    The Semi-Empirical tight binding model developed in Part I Hegde et al. [J. Appl. Phys. 115, 123703 (2014)] is applied to metal transport problems of current relevance in Part II. A systematic study of the effect of quantum confinement, transport orientation, and homogeneous strain on electronic transport properties of Cu is carried out. It is found that quantum confinement from bulk to nanowire boundary conditions leads to significant anisotropy in conductance of Cu along different transport orientations. Compressive homogeneous strain is found to reduce resistivity by increasing the density of conducting modes in Cu. The [110] transport orientation in Cu nanowires is found to be the most favorable for mitigating conductivity degradation since it shows least reduction in conductance with confinement and responds most favorably to compressive strain.

  16. Theoretical study of electronic transport properties of a graphene-silicene bilayer

    Energy Technology Data Exchange (ETDEWEB)

    Berdiyorov, G. R. [Qatar Environment and Energy Research Institute, Qatar Foundation, P.O. Box 5825, Doha (Qatar); Bahlouli, H. [Department of Physics, King Fahd University of Petroleum and Minerals, 31261 Dhahran (Saudi Arabia); Saudi Center for Theoretical Physics, 31261 Dhahran (Saudi Arabia); Peeters, F. M. [Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen (Belgium)

    2015-06-14

    Electronic transport properties of a graphene-silicene bilayer system are studied using density-functional theory in combination with the nonequilibrium Green's function formalism. Depending on the energy of the electrons, the transmission can be larger in this system as compared to the sum of the transmissions of separated graphene and silicene monolayers. This effect is related to the increased electron density of states in the bilayer sample. At some energies, the electronic states become localized in one of the layers, resulting in the suppression of the electron transmission. The effect of an applied voltage on the transmission becomes more pronounced in the layered sample as compared to graphene due to the larger variation of the electrostatic potential profile. Our findings will be useful when creating hybrid nanoscale devices where enhanced transport properties will be desirable.

  17. Transport, Structural and Mechanical Properties of Quaternary FeVTiAl Alloy

    Science.gov (United States)

    Bhat, Tahir Mohiuddin; Gupta, Dinesh C.

    2016-11-01

    The electronic, structural, magnetic and transport properties of FeVTiAl quaternary alloy have been investigated within the framework of density functional theory. The material is a completely spin-polarized half-metallic ferromagnet in its ground state with F-43m structure. The structural stability was further confirmed by elastic constants in the cubic phase with high Young's modulus and brittle nature. The present study predicts an energy band gap of 0.72 eV in a localized minority spin channel at equilibrium lattice parameter of 6.00 Å. The transport properties of the material are discussed based on the Seebeck coefficient, and electrical and thermal conductivity coefficients. The alloy presents large values of Seebeck coefficients, ~39 μV K-1 at room temperature (300 K), and has an excellent thermoelectric performance with ZT = ~0.8.

  18. Transport properties of partially-filled Ce{sub y}Co{sub 4}Sb{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Uher, C; Chen, B; Hu, S; Morelli, D T; Meisner, G P

    1997-07-01

    The authors have investigated the magnetic and transport properties of Ce{sub y}Co{sub 4}Sb{sub 12} filled skutterudites with the filling fraction y {le} 0.1. These compounds are n-type materials that develop a magnetic moment upon the presence of trivalent cerium. Cerium has a strong influence on all transport properties and even in small amounts it drastically reduces the lattice thermal conductivity. The resulting figures of merit are comparable to the values established previously for the p-type filled skutterudites.

  19. Synthesis, structure, thermal, transport and magnetic properties of VN ceramics

    Czech Academy of Sciences Publication Activity Database

    Huber, Š.; Jankovský, O.; Sedmidubský, D.; Luxa, J.; Klimová, K.; Hejtmánek, Jiří; Sofer, Z.

    2016-01-01

    Roč. 42, č. 16 (2016), s. 18779-18784 ISSN 0272-8842 R&D Projects: GA ČR GA13-20507S Institutional support: RVO:68378271 Keywords : vanadium mononitride * phase transition * electronic structure * heat capacity * transport properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.986, year: 2016

  20. TRANSPORT PROPERTIES OF THE STRONGLY CORRELATED SYSTEMS

    Directory of Open Access Journals (Sweden)

    T.Domanski

    2004-01-01

    Full Text Available The transport properties of various systems are studied here in the context of three different models. These are: - the disordered Hubbard model applicable to correlated binary alloys with a general disorder, - the Anderson model used in describing the Kondo physics of a quantum dot connected to the external superconducting leads, and - the Ranninger-Robaszkiewicz model applied to the study of optical properties of the system with preformed electron pairs above the temperature of transition to the superconducting state. We calculate the density of states, specific heat, the Wilson ratio and conductivity of the correlated binary alloy with off-diagonal disorder. We investigate the conditions under which the Kondo peak appears in the density of states and in the conductance of a dot coupled to the external superconducting leads. We analyze the effect of the pseudogap on the optical spectra in the high temperature superconductors described by the boson-fermion model.

  1. Tuning of Transport and Magnetic Properties in Epitaxial LaMnO3+δ Thin Films

    Directory of Open Access Journals (Sweden)

    J. Chen

    2014-01-01

    Full Text Available The effect of compressive strain on the transport and magnetic properties of epitaxial LaMnO3+δ thin films has been investigated. It is found that the transport and magnetic properties of the LaMnO3+δ thin films grown on the LaAlO3 substrates can be tuned by the compressive strain through varying film thickness. And the insulator-metal transition, charge/orbital ordering transition, and paramagnetic-ferromagnetic transition are suppressed by the compressive strain. Consequently, the related electronic and magnetic transition temperatures decrease with an increase in the compressive strain. The present results can be explained by the strain-controlled lattice deformation and the consequent orbital occupation. It indicates that the lattice degree of freedom is crucial for understanding the transport and magnetic properties of the strongly correlated LaMnO3+δ.

  2. 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...

  3. Tunable electronic transport properties of silicon-fullerene-linked nanowires: Semiconductor, conducting wire, and tunnel diode

    OpenAIRE

    Nishio, Kengo; Ozaki, Taisuke; Morishita, Tetsuya; Mikami, Masuhiro

    2010-01-01

    We explore the possibility of controllable tuning of the electronic transport properties of silicon-fullerene-linked nanowires by encapsulating guest atoms into their cages. Our first-principles calculations demonstrate that the guest-free nanowires are semiconductors, and do not conduct electricity. The iodine or sodium doping improves the transport properties, and makes the nanowires metallic. In the junctions of I-doped and Na-doped NWs, the current travels through the boundary by quantum ...

  4. Edge modulation of electronics and transport properties of cliff-edge phosphorene nanoribbons

    Science.gov (United States)

    Guo, Caixia; Wang, Tianxing; Xia, Congxin; Liu, Yufang

    2017-12-01

    Based on the first-principles calculations, we study the electronic structures and transport properties of cliff-like edge phosphorene nanoribbons (CPNRs), considering different types of edge passivation. The band structures of bare CPNRs possess the metallic features; while hydrogen (H), fluorine (F), chlorine (Cl) and oxygen (O) atoms-passivated CPNRs are semiconductor materials, and the band gap values monotonically decrease when the ribbon width increases. Moreover, the H and F-passivated CPNRs exhibit the direct band gap characteristics, while the Cl and O-passivated cases show the features of indirect band gap. In addition, the edge passivated CPNRs are more energetically stable than bare edge case. Meanwhile, our results also show that the transport properties of the CPNRs can be obviously influenced by the different edge passivation.

  5. Transport Properties of operational gas mixtures used at LHC

    CERN Document Server

    Assran, Yasser

    2011-01-01

    This report summarizes some useful data on the transport characteristics of gas mixtures which are required for detection of charged particles in gas detectors. We try to replace Freon used for RPC detector in the CMS experiment with another gas while maintaining the good properties of the Freon gas mixture unchanged. We try to switch to freonless gas mixture because Freon is not a green gas, it is very expensive and its availability is decreasing. Noble gases like Ar, He, Ne and Xe (with some quenchers like carbon dioxide, methane, ethane and isobutene) are investigated. Transport parameters like drift velocity, diffusion, Townsend coefficient, attachment coefficient and Lorentz angle are computed using Garfield software for different gas mixtures and compared with experimental data.

  6. Spatial and temporal variations of the callus mechanical properties during bone transport

    Energy Technology Data Exchange (ETDEWEB)

    Mora-Macias, J.; Reina-Romo, E.; Pajares, A.; Miranda, P.; Dominguez, J.

    2016-07-01

    Nanoindentation allows obtaining the elastic modulus and the hardness of materials point by point. This technique has been used to assess the mechanical propeties of the callus during fracture healing. However, as fas as the authors know, the evaluation of mechanical properties by this technique of the distraction and the docking-site calluses generated during bone transport have not been reported yet. Therefore, the aim of this work is using nanoindentation to assess the spatial and temporal variation of the elastic modulus of the woven bone generated during bone transport. Nanoindentation measurements were carried out using 6 samples from sheep sacrificed at different stages of the bone transport experiments. The results obtained show an important heterogeneity of the elastic modulus of the woven bone without spatial trends. In the case of temporal variation, a clear increase of the mean elastic modulus with time after surgery was observed (from 7±2GPa 35 days after surgery to 14±2GPa 525 days after surgery in the distraction callus and a similar increase in the docking site callus). Comparison with the evolution of the elastic modulus in the woven bone generated during fracture healing shows that mechanical properties increase slower in the case of the woven bone generated during bone transport. (Author)

  7. Transport and Phase Equilibria Properties for Steam Flooding of Heavy Oils

    Energy Technology Data Exchange (ETDEWEB)

    Gabitto, Jorge; Barrufet, Maria

    2002-11-20

    The objectives of this research included experimental determination and rigorous modeling and computation of phase equilibrium diagrams, volumetric, and transport properties of hydrocarbon/CO2/water mixtures at pressures and temperatures typical of steam injection processes for thermal recovery of heavy oils.

  8. Linear elastic properties derivation from microstructures representative of transport parameters.

    Science.gov (United States)

    Hoang, Minh Tan; Bonnet, Guy; Tuan Luu, Hoang; Perrot, Camille

    2014-06-01

    It is shown that three-dimensional periodic unit cells (3D PUC) representative of transport parameters involved in the description of long wavelength acoustic wave propagation and dissipation through real foam samples may also be used as a standpoint to estimate their macroscopic linear elastic properties. Application of the model yields quantitative agreement between numerical homogenization results, available literature data, and experiments. Key contributions of this work include recognizing the importance of membranes and properties of the base material for the physics of elasticity. The results of this paper demonstrate that a 3D PUC may be used to understand and predict not only the sound absorbing properties of porous materials but also their transmission loss, which is critical for sound insulation problems.

  9. Growth and quantum transport properties of vertical Bi2Se3 nanoplate films on Si substrates.

    Science.gov (United States)

    Li, M Z; Wang, Z H; Yang, L; Pan, D S; Li, Da; Gao, Xuan; Zhang, Zhi-Dong

    2018-05-14

    Controlling the growth direction (planar vs. vertical) and surface-to-bulk ratio can lead to lots of unique properties for two-dimensional (2D) layered materials. We report a simple method to fabricate continuous films of vertical Bi2Se3 nanoplates on Si substrate and investigate the quantum transport properties of such films. In contrast to (001) oriented planar Bi2Se3 nanoplate film, vertical Bi2Se3 nanoplate films are enclosed by (015) facets, which possess high surface-to-bulk ratio that can enhance the quantum transport property of topological surface states. And by controlling the compactness of vertical Bi2Se3 nanoplates, we realized an effective tuning of the weak antilocalization (WAL) effect from topological surface states in Bi2Se3 films. Our work paves a way for exploring the unique transport properties of this unconventional structure topological insulator film. © 2018 IOP Publishing Ltd.

  10. Charge transport properties of a twisted DNA molecule: A renormalization approach

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, M.L. de; Ourique, G.S.; Fulco, U.L. [Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970 Natal-RN (Brazil); Albuquerque, E.L., E-mail: eudenilson@gmail.com [Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970 Natal-RN (Brazil); Moura, F.A.B.F. de; Lyra, M.L. [Instituto de Física, Universidade Federal de Alagoas, 57072-900 Maceió-AL (Brazil)

    2016-10-20

    In this work we study the charge transport properties of a nanodevice consisting of a finite segment of the DNA molecule sandwiched between two metallic electrodes. Our model takes into account a nearest-neighbor tight-binding Hamiltonian considering the nucleobases twist motion, whose solutions make use of a two-steps renormalization process to simplify the algebra, which can be otherwise quite involved. The resulting variations of the charge transport efficiency are analyzed by numerically computing the main features of the electron transmittance spectra as well as their I × V characteristic curves.

  11. Interface disorder and transport properties in HTC/CMR superlattices

    International Nuclear Information System (INIS)

    Haberkorn, N.; Guimpel, J.; Sirena, M.; Steren, L.B.; Campillo, G.; Saldarriaga, W.; Gomez, M.E.

    2004-01-01

    The physical properties of superlattices are affected by interface disorder, like roughness and interdiffusion. X-ray diffraction allows its measurement through modeling and structure refinement. The high-T c RBa 2 Cu 3 O 7 (RBCO) and colossal magnetoresistance La x A 1-x MnO 3 (LAMO) perovskites are interesting superlattice partners given their similar lattice parameters and because the combination of magnetic and superconducting properties is interesting for both basic and applied research. We have investigated the structural and transport properties of YBCO/La 2/3 Ca 1/3 MnO 3 and GdBCO/La 0.6 Sr 0.04 MnO 3 superlattices grown by sputtering on (1 0 0)MgO. We find a roughness of 1 RBCO unit cell and a 30% interdiffusion in the same length from the interfaces for all samples. The superconducting behavior is found strongly dependent on the LAMO layer thickness

  12. Conduction band splitting and transport properties of Bi2Se3

    Czech Academy of Sciences Publication Activity Database

    Navrátil, Jiří; Horák, Jaromír; Plecháček, T.; Kamba, Stanislav; Lošťák, P.; Dyck, J. S.; Chen, W.; Uher, C.

    2004-01-01

    Roč. 177, č. 4-5 (2004), s. 1704-1712 ISSN 0022-4596 R&D Projects: GA AV ČR KSK2050602; GA AV ČR KSK1010104 Keywords : transport properties * carrier scattering Subject RIV: CA - Inorganic Chemistry Impact factor: 1.815, year: 2004

  13. Study of structural and electronic transport properties of Ce-doped ...

    Indian Academy of Sciences (India)

    Abstract. The structural and electronic transport properties of La1−x Cex MnO3 (x =0.0–1.0) have been studied. All the samples exhibit orthorhombic crystal symmetry and the unit cell volume de- creases with Ce doping. They also make a metal–insulator transition (MIT) and transition temper- ature increases with increase in ...

  14. Transport properties of chiral fermions

    Energy Technology Data Exchange (ETDEWEB)

    Puhr, Matthias

    2017-04-26

    Anomalous transport phenomena have their origin in the chiral anomaly, the anomalous non-conservation of the axial charge, and can arise in systems with chiral fermions. The anomalous transport properties of free fermions are well understood, but little is known about possible corrections to the anomalous transport coefficients that can occur if the fermions are strongly interacting. The main goal of this thesis is to study anomalous transport effects in media with strongly interacting fermions. In particular, we investigate the Chiral Magnetic Effect (CME) in a Weyl Semimetal (WSM) and the Chiral Separation Effect (CSE) in finite-density Quantum Chromodynamics (QCD). The recently discovered WSMs are solid state crystals with low-energy excitations that behave like Weyl fermions. The inter-electron interaction in WSMs is typically very strong and non-perturbative calculations are needed to connect theory and experiment. To realistically model an interacting, parity-breaking WSM we use a tight-binding lattice Hamiltonian with Wilson-Dirac fermions. This model features a non-trivial phase diagram and has a phase (Aoki phase/axionic insulator phase) with spontaneously broken CP symmetry, corresponding to the phase with spontaneously broken chiral symmetry for interacting continuum Dirac fermions. We use a mean-field ansatz to study the CME in spatially modulated magnetic fields and find that it vanishes in the Aoki phase. Moreover, our calculations show that outside of the Aoki phase the electron interaction has only a minor influence on the CME. We observe no enhancement of the magnitude of the CME current. For our non-perturbative study of the CSE in QCD we use the framework of lattice QCD with overlap fermions. We work in the quenched approximation to avoid the sign problem that comes with introducing a finite chemical potential on the lattice. The overlap operator calls for the evaluation of the sign function of a matrix with a dimension proportional to the volume

  15. Structural and robustness properties of smart-city transportation networks

    Science.gov (United States)

    Zhang, Zhen-Gang; Ding, Zhuo; Fan, Jing-Fang; Meng, Jun; Ding, Yi-Min; Ye, Fang-Fu; Chen, Xiao-Song

    2015-09-01

    The concept of smart city gives an excellent resolution to construct and develop modern cities, and also demands infrastructure construction. How to build a safe, stable, and highly efficient public transportation system becomes an important topic in the process of city construction. In this work, we study the structural and robustness properties of transportation networks and their sub-networks. We introduce a complementary network model to study the relevance and complementarity between bus network and subway network. Our numerical results show that the mutual supplement of networks can improve the network robustness. This conclusion provides a theoretical basis for the construction of public traffic networks, and it also supports reasonable operation of managing smart cities. Project supported by the Major Projects of the China National Social Science Fund (Grant No. 11 & ZD154).

  16. Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations

    DEFF Research Database (Denmark)

    Fürst, Joachim Alexander; Hashemi, J.; Markussen, Troels

    2009-01-01

    Fullerene functionalized carbon nanotubes-NanoBuds-form a novel class of hybrid carbon materials, which possesses many advantageous properties as compared to the pristine components. Here, we report a theoretical study of the electronic transport properties of these compounds. We use both ab init...

  17. Links between soil properties and steady-state solute transport through cultivated topsoil at the field scale

    Science.gov (United States)

    Koestel, J. K.; Norgaard, T.; Luong, N. M.; Vendelboe, A. L.; Moldrup, P.; Jarvis, N. J.; Lamandé, M.; Iversen, B. V.; Wollesen de Jonge, L.

    2013-02-01

    It is known that solute transport through soil is heterogeneous at all spatial scales. However, little data are available to allow quantification of these heterogeneities at the field scale or larger. In this study, we investigated the spatial patterns of soil properties, hydrologic state variables, and tracer breakthrough curves (BTCs) at the field scale for the inert solute transport under a steady-state irrigation rate which produced near-saturated conditions. Sixty-five undisturbed soil columns approximately 20 cm in height and diameter were sampled from the loamy topsoil of an agricultural field site in Silstrup (Denmark) at a sampling distance of approximately 15 m (with a few exceptions), covering an area of approximately 1 ha (60 m × 165 m). For 64 of the 65 investigated soil columns, we observed BTC shapes indicating a strong preferential transport. The strength of preferential transport was positively correlated with the bulk density and the degree of water saturation. The latter suggests that preferential macropore transport was the dominating transport process. Increased bulk densities were presumably related with a decrease in near-saturated hydraulic conductivities and as a consequence to larger water saturation and the activation of larger macropores. Our study provides further evidence that it should be possible to estimate solute transport properties from soil properties such as soil texture or bulk density. We also demonstrated that estimation approaches established for the column scale have to be upscaled when applied to the field scale or larger.

  18. Reauthorizations for hazardous materials transportation and pipeline safety. Hearing before the Subcommittee on Surface Transportation of the Committee on Commerce, Science, and Transporation, US Senate, Ninety-Eighth Congress, Second Session, April 24, 1984

    International Nuclear Information System (INIS)

    Anon.

    1984-01-01

    Witnesses from pipeline and trucking companies and state and federal transportation agencies testified at a hearing on the reauthorization of the Hazardous Materials Transportation Act of 1974, the Natural Gas Pipeline Safety Act of 1968, and the Hazardous Liquid Pipeline Safety Act of 1979. Senator Specter spoke in favor of S. 2356, requiring a detailed environmental impact statement for the shipment of radioactive waste material through metropolitan areas. In addition to safety issues, witnesses spoke of tax inequities imposed on gas pipeline property, the need for more uniformity in safety requirements and emergency responses, and the quality of the safety record which the transport industry maintains. Additional articles, letters, and statements submitted for the record follow the testimony of 15 witnesses

  19. Spintronic and transport properties of linear atomic strings of transition metals (Fe, Co, Ni)

    Energy Technology Data Exchange (ETDEWEB)

    Tyagi, Neha, E-mail: nehatyagi.phy@gmail.com [Department of Applied Physics, Delhi Technological University, New Delhi (India); Jaiswal, Neeraj K. [Discipline of Physics, PDPM-Indian Institute of Information Technology, Design & Manufacturing, Jabalpur (India); Srivastava, Pankaj [Nanomaterials Research Group, ABV-Indian Institute of Information Technology & Management, Gwalior (India)

    2016-05-06

    In the present work, first-principles investigations have been performed to study the spintronic and transport properties of linear atomic strings of Fe, Co and Ni. The structural stabilities of the considered strings were compared on the basis of binding energies which revealed that all the strings are energetically feasible to be achieved. Further, all the considered strings are found to be ferromagnetic and the observed magnetic moment ranges from 1.38 to 1.71 μ{sub B}. The observed transport properties and high spin polarization points towards their potential for nano interconnects and spintronic applications.

  20. Oxygen transport properties estimation by classical trajectory–direct simulation Monte Carlo

    Energy Technology Data Exchange (ETDEWEB)

    Bruno, Domenico, E-mail: domenico.bruno@cnr.it [Istituto di Metodologie Inorganiche e dei Plasmi, Consiglio Nazionale delle Ricerche– Via G. Amendola 122, 70125 Bari (Italy); Frezzotti, Aldo, E-mail: aldo.frezzotti@polimi.it; Ghiroldi, Gian Pietro, E-mail: gpghiro@gmail.com [Dipartimento di Scienze e Tecnologie Aerospaziali, Politecnico di Milano–Via La Masa 34, 20156 Milano (Italy)

    2015-05-15

    Coupling direct simulation Monte Carlo (DSMC) simulations with classical trajectory calculations is a powerful tool to improve predictive capabilities of computational dilute gas dynamics. The considerable increase in computational effort outlined in early applications of the method can be compensated by running simulations on massively parallel computers. In particular, Graphics Processing Unit acceleration has been found quite effective in reducing computing time of classical trajectory (CT)-DSMC simulations. The aim of the present work is to study dilute molecular oxygen flows by modeling binary collisions, in the rigid rotor approximation, through an accurate Potential Energy Surface (PES), obtained by molecular beams scattering. The PES accuracy is assessed by calculating molecular oxygen transport properties by different equilibrium and non-equilibrium CT-DSMC based simulations that provide close values of the transport properties. Comparisons with available experimental data are presented and discussed in the temperature range 300–900 K, where vibrational degrees of freedom are expected to play a limited (but not always negligible) role.

  1. Simulating liquid water for determining its structural and transport properties

    International Nuclear Information System (INIS)

    Arismendi-Arrieta, Daniel; Medina, Juan S.; Fanourgakis, George S.; Prosmiti, Rita; Delgado-Barrio, Gerardo

    2014-01-01

    Molecular dynamics simulations are carried out for calculating structural and transport properties of pure liquid water, such as radial distribution functions and self-diffusion and viscosity coefficients, respectively. We employed reparameterized versions of the ab initio water potential by Niesar, Clementi and Corongiu (NCC). In order to investigate the role of the electrostatic contribution, the partial charges of the NCC model are adjusted so that to reproduce the dipole moment values of the SPC/E, SPC/Fw and TIP4P/2005 water models. The single and collective transport coefficients are obtained by employing the Green–Kubo relations at various temperatures. Additionally, in order to overcome convergence difficulties arising from the long correlation times of the stress-tensor autocorrelation functions, a previously reported fitting scheme was employed. The present results indicate that there is a significant relationship between the dipole moment value of the model, and the calculated transport coefficients. We found that by adjusting the molecular dipole moment of the NCC to the value of the TIP4P/2005, the obtained values for the self-diffusion and viscosity coefficients are in better agreement with experiment, compared to the values obtained with the original NCC model. Even though the predictions of the present model exhibits an overall correct behavior, we conclude that further improvements are still required. In order to achieve that, a careful reparameterization of the repulsion–dispersion terms of the potential model is proposed. Also, the effect of the inclusion of many-body effects such as polarizability, should also be investigated. - Highlights: ► Transport properties of liquid water are important in bio-simulations. ► Self-diffusion coefficient, shear and bulk viscosities calculations from NVE molecular dynamics simulations. ► Their comparison with experimental data provides information on intermolecular forces, and serve to develop water

  2. Investigation of thermodynamic and transport properties of liquid transition metals using Wills-Harrison potentials

    International Nuclear Information System (INIS)

    Khaleque, M.A.; Bhuiyan, G.M.; Rashid, R.I.M.A.

    1998-01-01

    Thermodynamic properties such as entropy, specific heat capacity at constant pressure and isothermal compressibility have been calculated for liquid 3d, 4d and 5d transition metals near melting temperature. The hard sphere diameter for all such systems is estimated from the potential profile generated from the Wills and Harrison's prescription using linearized WCA theory of liquid. Evaluated values of entropy and specific heat capacity are found to be in good agreement with the experimental data. Transport property like shear viscosity for these liquid metals is obtained using the same potential profile. Lack of experimental data at melting temperatures hampers detailed comparison for all such systems. However, for the case of transport property, the results obtained are found to compare qualitatively well with the available experimental data. (author)

  3. Links between soil properties and steady-state solute transport through cultivated topsoil at the field scale

    DEFF Research Database (Denmark)

    Koestel, J. K.; Nørgaard, Trine; Loung, N. M.

    2013-01-01

    It is known that solute transport through soil is heterogeneous at all spatial scales. However, little data are available to allow quantification of these heterogeneities at the field scale or larger. In this study, we investigated the spatial patterns of soil properties, hydrologic state variables......, and tracer breakthrough curves (BTCs) at the field scale for the inert solute transport under a steady-state irrigation rate which produced near-saturated conditions. Sixty-five undisturbed soil columns approximately 20 cm in height and diameter were sampled from the loamy topsoil of an agricultural field...... to larger water saturation and the activation of larger macropores. Our study provides further evidence that it should be possible to estimate solute transport properties from soil properties such as soil texture or bulk density. We also demonstrated that estimation approaches established for the column...

  4. Interface disorder and transport properties in HTC/CMR superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Haberkorn, N.; Guimpel, J.; Sirena, M.; Steren, L.B.; Campillo, G.; Saldarriaga, W.; Gomez, M.E

    2004-08-01

    The physical properties of superlattices are affected by interface disorder, like roughness and interdiffusion. X-ray diffraction allows its measurement through modeling and structure refinement. The high-T{sub c} RBa{sub 2}Cu{sub 3}O{sub 7} (RBCO) and colossal magnetoresistance La{sub x}A{sub 1-x}MnO{sub 3} (LAMO) perovskites are interesting superlattice partners given their similar lattice parameters and because the combination of magnetic and superconducting properties is interesting for both basic and applied research. We have investigated the structural and transport properties of YBCO/La{sub 2/3}Ca{sub 1/3}MnO{sub 3} and GdBCO/La{sub 0.6}Sr{sub 0.04}MnO{sub 3} superlattices grown by sputtering on (1 0 0)MgO. We find a roughness of 1 RBCO unit cell and a 30% interdiffusion in the same length from the interfaces for all samples. The superconducting behavior is found strongly dependent on the LAMO layer thickness.

  5. Mixing rules for optical and transport properties of warm, dense matter

    International Nuclear Information System (INIS)

    Kress, Joel D.; Horner, Daniel A.; Collins, Lee A.

    2009-01-01

    The warm, dense matter (WDM) regime requires a sophisticated treatment since neither ideal gas laws or fully ionized plasma models apply. Mixtures represent the predominant form of matter throughout the universe and the ability to predict the properties of a mixture, though direct simulation or from convolution of the properties of the constituents is both a challenging prospect and an important goal. Through quantum molecular dynamics (QMD), we accurately simulate WDM and compute equations of state, transport, and optical properties of such materials, including mixtures, in a self-consistent manner from a single simulation. With the ability to directly compute the mixture properties, we are able to validate mixing rules for combining the optical and dynamical properties of Li and H separately to predict the properties of lithium hydride (LiH). We have examined two such mixing rules and extend them to morphologies beyond a simple liquid alloy. We have also studied a mixture of polyethylene and aluminum at T = 1 eV.

  6. Static transport properties of random alloys: Vertex corrections in conserving approximations

    Czech Academy of Sciences Publication Activity Database

    Turek, Ilja

    2016-01-01

    Roč. 93, č. 24 (2016), 245114-1-245114-6 ISSN 2469-9950 R&D Projects: GA ČR GA15-13436S Institutional support: RVO:68081723 Keywords : transport properties * random alloys * coherent-potential approximation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016

  7. Controlling In–Ga–Zn–O thin films transport properties through density changes

    Energy Technology Data Exchange (ETDEWEB)

    Kaczmarski, Jakub, E-mail: kaczmarski@ite.waw.pl [Institute of Electron Technology, al. Lotników 32/46, 02-668 Warsaw (Poland); Boll, Torben [Department of Applied Physics, Chalmers University of Technology, Fysikgränd 3, SE-412 96 Gothenburg (Sweden); Borysiewicz, Michał A. [Institute of Electron Technology, al. Lotników 32/46, 02-668 Warsaw (Poland); Taube, Andrzej [Institute of Electron Technology, al. Lotników 32/46, 02-668 Warsaw (Poland); Institute of Microelectronics & Optoelectronics, Warsaw University of Technology, ul. Koszykowa 75, 00-662 Warsaw (Poland); Thuvander, Mattias; Law, Jia Yan [Department of Applied Physics, Chalmers University of Technology, Fysikgränd 3, SE-412 96 Gothenburg (Sweden); Kamińska, Eliana [Institute of Electron Technology, al. Lotników 32/46, 02-668 Warsaw (Poland); Stiller, Krystyna [Department of Applied Physics, Chalmers University of Technology, Fysikgränd 3, SE-412 96 Gothenburg (Sweden)

    2016-06-01

    In the following study we investigate the effect of the magnetron cathode current (I{sub c}) during reactive sputtering of In–Ga–Zn–O (a-IGZO) on thin-films nanostructure and transport properties. All fabricated films are amorphous, according to X-ray diffraction measurements. However, High Resolution Transmission Electron Microscopy revealed the a-IGZO fabricated at I{sub C} = 70 mA to contain randomly-oriented nanocrystals dispersed in amorphous matrix, which disappear in films deposited at higher cathode current. These nanocrystals have the same composition as the amorphous matrix. One can observe that, while I{sub C} is increased from 70 to 150 mA, the carrier mobility improves from μ{sub Hall} = 6.9 cm{sup 2}/Vs to μ{sub Hall} = 9.1 cm{sup 2}/Vs. Additionally, the increase of I{sub C} caused a reduction of the depletion region trap states density of the Ru–Si–O/In–Ga–Zn–O Schottky barrier. This enhancement in transport properties is attributed to the greater overlapping of s-orbitals of the film-forming cations caused by increased density, evidenced by X-ray reflectivity, at a fixed chemical composition, regardless nanostructure of thin films. - Highlights: • Magnetron cathode current (I{sub C}) controls the transport properties of In–Ga–Zn–O (IGZO). • Low I{sub C} results in IGZO films with nanocrystalline inclusions in amorphous matrix. • High I{sub C} reduces the number of trap states in depletion region of Schottky contacts.

  8. Synthesis, Magnetization, and Electrical Transport Properties of Mn3Zn0.9Cu0.1N

    Directory of Open Access Journals (Sweden)

    Y. Yin

    2013-01-01

    Full Text Available We synthesized Mn3Zn0.9Cu0.1N by solid state reaction, and magnetic as well as electrical transport properties were investigated. It is found that Mn3Zn0.9Cu0.1N exhibits a first-order antiferromagnetism (AFM to paramagnetic (PM transition with the Néel temperature TN ~163 K, and substitution of Cu for Zn would favor ferromagnetism (FM state and weaken AFM ground state, leading to a convex curvature character of M(T curve. With high external fields 10 kOe–50 kOe, magnetic transition remains a robust AFM-PM feature while FM phase is completely suppressed. Thermal hysteresis of M(T under 500 Oe is also suppressed when the magnetic field exceeds 10 kOe. Mn3Zn0.9Cu0.1N exhibits a good metallic behavior except for a slope change around TN, which is closely related to AFM-PM magnetic transition. Compared with the first differential of resistivity with respect to temperature for (dρ/dTMn3ZnN in transition temperature range, the absolute value of (dρ/dTMn3Zn0.9Cu0.1N is much lower which is close to zero.

  9. Poly(o-aminophenol) film electrodes synthesis, transport properties and practical applications

    CERN Document Server

    Tucceri, Ricardo

    2014-01-01

    This review book is concerned with the synthesis, charge transport properties and practical applications of poly (o-aminophenol) (POAP) film electrodes. It is divided into three parts. The first one has a particular emphasis on problems of synthesis and structure of POAP. The second part deals with the mechanism of charge transfer and charge transport processes occurring in the course of the redox reactions of POAP. The third part describes the promising applications of POAP in the different fields of sensors, electrocatalysis, bioelectrochemistry, corrosion protection, among others. This review covers the literature on POAP in the time period comprised between 1987 and 2013.

  10. Reaching the limits of reciprocity in favor exchange: The effects of generous, stingy, and matched favor giving on social status.

    Science.gov (United States)

    Ouyang, Kan; Xu, Erica; Huang, Xu; Liu, Wu; Tang, Yipeng

    2018-06-01

    Group members gain social status via giving favors to others, but why and when they do so remain unclear in the literature. Building on social exchange theory and social status literature, we identify three types of favor giving among group members (generous, stingy, and matched) and propose that an affective mechanism (i.e., gratitude) and a cognitive mechanism (i.e., perceived competence) underlie the relationship between favor giving and status attainment. Specifically, generous/stingy favor giving has a linear relationship with status attainment through both gratitude and perceived competence, whereas matched favor giving has a curvilinear relationship with status attainment only through perceived competence. An experimental study and a field study lend support to our propositions. Our study complements the literature by offering a complete picture of how three types of favor giving among group members shape their social status in different ways. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

  11. Transport properties of a ladder with two random dimer chains

    International Nuclear Information System (INIS)

    Hu Dong-Sheng; Zhu Chen-Ping; Zhang Yong-Mei

    2011-01-01

    We investigate the transport properties of a ladder with two random dimer (RD) chains. It is found that there are two extended states in the ladder with identical RD chains and a critical state regarded as an extended state in the ladder with pairing RD chains. Such a critical state is caused by the chiral symmetry. The ladder with identical RD chains can be decoupled into two isolated RD chains and the ladder with pairing RD chains can not. The analytic expressions of the extended states are presented for the ladder with identical RD chains. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  12. Transport Properties of the Metallic State of TMTSF-DMTCNQ

    DEFF Research Database (Denmark)

    Bechgaard, Klaus; Andersen, Jan Rud; Andrieux, A.

    1979-01-01

    The authors report the transport properties (longitudinal and transverse conductivity, magnetoresistance and thermopower) of TMTSF-DMTCNQ for pressures up to 13 kbar and temperatures down to 1.2K together with the phase diagram which results from these measurements. The most striking results...... at any temperature (σ∥≳105 (Ωcm)-1) and an enormous magnetoresistance Δρ/ρ≈15) is found for a field of 75 kOe perpendicular to the conducting chains...

  13. Nanostructured ZnO films: A study of molecular influence on transport properties by impedance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sappia, Luciano D.; Trujillo, Matias R. [Instituto Superior de Investigaciones Biológicas (INSIBIO), CONICET, Chacabuco 461, T4000ILI San Miguel de Tucumán (Argentina); Laboratorio de Medios e Interfases (LAMEIN), Departamento de Bioingeniería, Fac. de Cs. Exactas y Tecnología, Universidad Nacional de Tucumán, Av. Independencia 1800, 4000 San Miguel de Tucumán (Argentina); Lorite, Israel [Division of Superconductivity and Magnetism, Institute for Experimental Physics II, University of Leipzig, Linnéstrasse 5, 04103 Leipzig (Germany); Madrid, Rossana E., E-mail: rmadrid@herrera.unt.edu.ar [Instituto Superior de Investigaciones Biológicas (INSIBIO), CONICET, Chacabuco 461, T4000ILI San Miguel de Tucumán (Argentina); Laboratorio de Medios e Interfases (LAMEIN), Departamento de Bioingeniería, Fac. de Cs. Exactas y Tecnología, Universidad Nacional de Tucumán, Av. Independencia 1800, 4000 San Miguel de Tucumán (Argentina); Tirado, Monica [NanoProject and Laboratorio de Nanomateriales y Propiedades Dieléctricas, Departamento de Física, Universidad Nacional de Tucumán, Avenida Independencia 1800, Tucumán (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) (Argentina); and others

    2015-10-15

    Graphical abstract: - Highlights: • We study electrical transport in nanostructured ZnO films by impedance spectroscopy. • Bioaggregates on the surface produce strong changes in film transport properties. • This behavior is explained by modeling data with RC parallel circuits. • Electrical responses of ZnO films to aggregates are promising for biosensing. - Abstract: Nanomaterials based on ZnO have been used to build glucose sensors due to its high isoelectric point, which is important when a protein like Glucose Oxidase (GOx) is attached to a surface. It also creates a biologically friendly environment to preserve the activity of the enzyme. In this work we study the electrical transport properties of ZnO thin films (TFs) and single crystals (SC) in contact with different solutions by using impedance spectroscopy. We have found that the composition of the liquid, by means of the charge of the ions, produces strong changes in the transport properties of the TF. The enzyme GOx and phosphate buffer solutions have the major effect in the conduction through the films, which can be explained by the entrapment of carriers at the grain boundaries of the TFs. These results can help to design a new concept in glucose biosensing.

  14. Strategy for the use of laboratory methods in the site investigations programme for the transport properties of the rock

    International Nuclear Information System (INIS)

    Widestrand, Henrik; Byegaard, Johan; Ohlsson, Yvonne; Tullborg, Eva-Lena

    2003-06-01

    This report comprises a strategy for the handling of laboratory investigations of diffusivity and sorption characteristics within the discipline-specific programme 'Transport Properties of the Rock' in the SKB site investigations. The aim of the transport programme is to investigate the solute transport properties at a site in order to acquire data that are required for an assessment of the long-term performance and radiological safety of the deep repository. The result of the transport programme is the Transport Properties Site Descriptive Model, i.e. a description of the site-specific properties for the transport of solutes in the groundwater at a site. A strategy for the methodology, control of sampling and characterisation programme and interpretation of the results, is proposed. The basis for the laboratory investigations is a conceptual geological model based on the geological model produced in the geology programme. Major and minor types of rock and fractures are defined and characterised according to the quality of the general database and site-specific needs. The selection of samples and analyses is determined in close co-operation with the geology, hydrogeology, hydrogeochemistry and rock mechanics programmes. The result of the laboratory investigations is a retardation model, which is used as an input in the Transport Properties Site Descriptive Model. The interpretation and production of a retardation model is described and exemplified. Lastly, method-specific strategies and recommendations are given, including strategies for the selection of tracers in the experiments and for the treatment of the sampled geologic materials

  15. Strategy for the use of laboratory methods in the site investigations programme for the transport properties of the rock

    Energy Technology Data Exchange (ETDEWEB)

    Widestrand, Henrik; Byegaard, Johan [Geosigma AB, Kungaelv (Sweden); Ohlsson, Yvonne [SWECO VIAK AB, Stockholm (Sweden); Tullborg, Eva-Lena [Terralogica AB, Graabo (Sweden)

    2003-06-01

    This report comprises a strategy for the handling of laboratory investigations of diffusivity and sorption characteristics within the discipline-specific programme 'Transport Properties of the Rock' in the SKB site investigations. The aim of the transport programme is to investigate the solute transport properties at a site in order to acquire data that are required for an assessment of the long-term performance and radiological safety of the deep repository. The result of the transport programme is the Transport Properties Site Descriptive Model, i.e. a description of the site-specific properties for the transport of solutes in the groundwater at a site. A strategy for the methodology, control of sampling and characterisation programme and interpretation of the results, is proposed. The basis for the laboratory investigations is a conceptual geological model based on the geological model produced in the geology programme. Major and minor types of rock and fractures are defined and characterised according to the quality of the general database and site-specific needs. The selection of samples and analyses is determined in close co-operation with the geology, hydrogeology, hydrogeochemistry and rock mechanics programmes. The result of the laboratory investigations is a retardation model, which is used as an input in the Transport Properties Site Descriptive Model. The interpretation and production of a retardation model is described and exemplified. Lastly, method-specific strategies and recommendations are given, including strategies for the selection of tracers in the experiments and for the treatment of the sampled geologic materials.

  16. Detecting the local transport properties and the dimensionality of transport of epitaxial graphene by a multi-point probe approach

    DEFF Research Database (Denmark)

    Barreto, Lucas; Perkins, Edward; Johannsen, Jens

    2013-01-01

    The electronic transport properties of epitaxial monolayer graphene (MLG) and hydrogen-intercalated quasi free-standing bilayer graphene (QFBLG) on SiC(0001) are investigated by micro multi-point probes. Using a probe with 12 contacts, we perform four-point probe measurements with the possibility...

  17. Spin-polarized transport properties of Fe atomic chain adsorbed on zigzag graphene nanoribbons

    International Nuclear Information System (INIS)

    Zhang, Z L; Chen, Y P; Xie, Y E; Zhang, M; Zhong, J X

    2011-01-01

    The spin-polarized transport properties of Fe atomic chain adsorbed on zigzag graphene nanoribbons (ZGNRs) are investigated using the density-functional theory in combination with the nonequilibrium Green's function method. We find that the Fe chain has drastic effects on spin-polarized transport properties of ZGNRs compared with a single Fe atom adsorbed on the ZGNRs. When the Fe chain is adsorbed on the centre of the ZGNR, the original semiconductor transforms into metal, showing a very wide range of spin-polarized transport. Particularly, the spin polarization around the Fermi level is up to 100%. This is because the adsorbed Fe chain not only induces many localized states but also has effects on the edge states of ZGNR, which can effectively modulate the spin-polarized transports. The spin polarization of ZGNRs is sensitive to the adsorption site of the Fe chain. When the Fe chain is adsorbed on the edge of ZGNR, the spin degeneracy of conductance is completely broken. The spin polarization is found to be more pronounced because the edge state of one edge is destroyed by the additional Fe chain. These results have direct implications for the control of the spin-dependent conductance in ZGNRs with the adsorption of Fe chains.

  18. The PTFE-nanocomposites mechanical properties for transport systems dynamic sealing devices elements

    Science.gov (United States)

    Mashkov, Y. K.; Egorova, V. A.; Chemisenko, O. V.; Maliy, O. V.

    2017-06-01

    The mechanical properties study results of polymer nanocomposites based on polytetrafluoroethylene with modifiers in the form of micro- and nanoscale cryptocrystalline graphite and silicon dioxide powders are determined. The nanocomposites mechanical properties determined values provide high sealing degree of transport systems dynamic sealing devices elements. When the temperature changes from cryogenic to high positive then the elastic modulus, tensile strength decrease significantly and nonlinearly, the latter limits the composite usage in heavily loaded tribosystems operating at elevated temperatures.

  19. Investigating the effect of acene-fusion and trifluoroacetyl substitution on the electronic and charge transport properties by density functional theory

    Directory of Open Access Journals (Sweden)

    Ahmad Irfan

    2016-05-01

    Full Text Available We designed novel derivatives of 4,6-di(thiophen-2-ylpyrimidine (DTP. Two benchmark strategies including mesomerically deactivating group, as well as the extension of π-conjugation bridge (acene-fusion have been employed to enhance the electrical and charge transport properties. The density functional theory (DFT and time dependent DFT methods have been used to get optimized geometries in ground and first excited state, respectively. The structural properties (geometric parameters, electronic properties (frontier molecular orbitals; highest occupied and lowest unoccupied molecular orbitals, photophysical properties (absorption, fluorescence and phosphorescence, and important charge transport properties are discussed to establish a molecular level structure–property relationship among these derivatives. Our calculated electronic spectra i.e., absorption, fluorescence and phosphorescence have been found in good semi-quantitative agreement with available experimental data. All the newly designed derivatives displayed significantly improved electron injection ability than those of the parent molecule. The values of reorganization energy and transfer integral elucidate that DTP is a potential hole transport material. Based on our present investigation, it is expected that the naphtho and anthra derivatives of DTP are better hole transporters than those of some well-known charge transporter materials like naphthalene, anthracene, tetracene and pentacene.

  20. Transport properties of hydrogen passivated silicon nanotubes and silicon nanotube field effect transistors

    KAUST Repository

    Montes Muñ oz, Enrique; Schwingenschlö gl, Udo

    2017-01-01

    We investigate the electronic transport properties of silicon nanotubes attached to metallic electrodes from first principles, using density functional theory and the non-equilibrium Green's function method. The influence of the surface termination

  1. Effect of spin-orbit interactions on the structural stability, thermodynamic properties, and transport properties of lead under pressure

    Science.gov (United States)

    Smirnov, N. A.

    2018-03-01

    The paper investigates the role of spin-orbit interaction in the prediction of structural stability, lattice dynamics, elasticity, thermodynamic and transport properties (electrical resistivity and thermal conductivity) of lead under pressure with the FP-LMTO (full-potential linear-muffin-tin orbital) method for the first-principles band structure calculations. Our calculations were carried out for three polymorphous lead modifications (fcc, hcp, and bcc) in generalized gradient approximation with the exchange-correlation functional PBEsol. They suggest that compared to the scalar-relativistic calculation, the account for the SO effects insignificantly influences the compressibility of Pb. At the same time, in the calculation of phonon spectra and transport properties, the role of SO interaction is important, at least, for P ≲150 GPa. At higher pressures, the contribution from SO interaction reduces but not vanishes. As for the relative structural stability, our studies show that SO effects influence weakly the pressure of the fcc →hcp transition and much higher the pressure of the hcp →bcc transition.

  2. A fully synthetic human Fab antibody library based on fixed VH/VL framework pairings with favorable biophysical properties

    Science.gov (United States)

    Tiller, Thomas; Schuster, Ingrid; Deppe, Dorothée; Siegers, Katja; Strohner, Ralf; Herrmann, Tanja; Berenguer, Marion; Poujol, Dominique; Stehle, Jennifer; Stark, Yvonne; Heßling, Martin; Daubert, Daniela; Felderer, Karin; Kaden, Stefan; Kölln, Johanna; Enzelberger, Markus; Urlinger, Stefanie

    2013-01-01

    This report describes the design, generation and testing of Ylanthia, a fully synthetic human Fab antibody library with 1.3E+11 clones. Ylanthia comprises 36 fixed immunoglobulin (Ig) variable heavy (VH)/variable light (VL) chain pairs, which cover a broad range of canonical complementarity-determining region (CDR) structures. The variable Ig heavy and Ig light (VH/VL) chain pairs were selected for biophysical characteristics favorable to manufacturing and development. The selection process included multiple parameters, e.g., assessment of protein expression yield, thermal stability and aggregation propensity in fragment antigen binding (Fab) and IgG1 formats, and relative Fab display rate on phage. The framework regions are fixed and the diversified CDRs were designed based on a systematic analysis of a large set of rearranged human antibody sequences. Care was taken to minimize the occurrence of potential posttranslational modification sites within the CDRs. Phage selection was performed against various antigens and unique antibodies with excellent biophysical properties were isolated. Our results confirm that quality can be built into an antibody library by prudent selection of unmodified, fully human VH/VL pairs as scaffolds. PMID:23571156

  3. From Cell to Tissue Properties-Modeling Skin Electroporation With Pore and Local Transport Region Formation.

    Science.gov (United States)

    Dermol-Cerne, Janja; Miklavcic, Damijan

    2018-02-01

    Current models of tissue electroporation either describe tissue with its bulk properties or include cell level properties, but model only a few cells of simple shapes in low-volume fractions or are in two dimensions. We constructed a three-dimensional model of realistically shaped cells in realistic volume fractions. By using a 'unit cell' model, the equivalent dielectric properties of whole tissue could be calculated. We calculated the dielectric properties of electroporated skin. We modeled electroporation of single cells by pore formation on keratinocytes and on the papillary dermis which gave dielectric properties of the electroporated epidermis and papillary dermis. During skin electroporation, local transport regions are formed in the stratum corneum. We modeled local transport regions and increase in their radii or density which affected the dielectric properties of the stratum corneum. The final model of skin electroporation accurately describes measured electric current and voltage drop on the skin during electroporation with long low-voltage pulses. The model also accurately describes voltage drop on the skin during electroporation with short high-voltage pulses. However, our results indicate that during application of short high-voltage pulses additional processes may occur which increase the electric current. Our model connects the processes occurring at the level of cell membranes (pore formation), at the level of a skin layer (formation of local transport region in the stratum corneum) with the tissue (skin layers) and even level of organs (skin). Using a similar approach, electroporation of any tissue can be modeled, if the morphology of the tissue is known.

  4. Ultrafast Microscopy of Energy and Charge Transport

    Science.gov (United States)

    Huang, Libai

    The frontier in solar energy research now lies in learning how to integrate functional entities across multiple length scales to create optimal devices. Advancing the field requires transformative experimental tools that probe energy transfer processes from the nano to the meso lengthscales. To address this challenge, we aim to understand multi-scale energy transport across both multiple length and time scales, coupling simultaneous high spatial, structural, and temporal resolution. In my talk, I will focus on our recent progress on visualization of exciton and charge transport in solar energy harvesting materials from the nano to mesoscale employing ultrafast optical nanoscopy. With approaches that combine spatial and temporal resolutions, we have recently revealed a new singlet-mediated triplet transport mechanism in certain singlet fission materials. This work demonstrates a new triplet exciton transport mechanism leading to favorable long-range triplet exciton diffusion on the picosecond and nanosecond timescales for solar cell applications. We have also performed a direct measurement of carrier transport in space and in time by mapping carrier density with simultaneous ultrafast time resolution and 50 nm spatial precision in perovskite thin films using transient absorption microscopy. These results directly visualize long-range carrier transport of 220nm in 2 ns for solution-processed polycrystalline CH3NH3PbI3 thin films. The spatially and temporally resolved measurements reported here underscore the importance of the local morphology and establish an important first step towards discerning the underlying transport properties of perovskite materials.

  5. Mixing induced reactive transport in fractured crystalline rocks

    International Nuclear Information System (INIS)

    Martinez-Landa, Lurdes; Carrera, Jesus; Dentz, Marco; Fernàndez-Garcia, Daniel; Nardí, Albert; Saaltink, Maarten W.

    2012-01-01

    In this paper the solute retention properties of crystalline fractured rocks due to mixing-induced geochemical reactions are studied. While fractured media exhibit paths of fast flow and transport and thus short residence times for conservative solutes, at the same time they promote mixing and dilution due to strong heterogeneity, which leads to sharp concentration contrasts. Enhanced mixing and dilution have a double effect that favors crystalline fractured media as a possible host medium for nuclear waste disposal. Firstly, peak radionuclide concentrations are attenuated and, secondly, mixing-induced precipitation reactions are enhanced significantly, which leads to radionuclide immobilization. An integrated framework is presented for the effective modeling of these flow, transport and reaction phenomena, and the interaction between them. In a simple case study, the enhanced dilution and precipitation potential of fractured crystalline rocks are systematically studied and quantified and contrasted it to retention and attenuation in an equivalent homogeneous formation.

  6. Why Koreans are More Likely to Favor "Apology," While Americans are More Likely to Favor "Thank You"

    Science.gov (United States)

    Lee, Hye Eun; Park, Hee Sun

    2011-01-01

    Two studies investigated whether apologies or thanks are preferred in asking favors in the United States and Korea, and how this relates to perceptions of reduction in positive and negative face threats. In the first study (n = 224), participants composed an e-mail message where a favor was asked. In the second (n = 807), participants completed…

  7. On the statistical and transport properties of a non-dissipative Fermi-Ulam model

    Science.gov (United States)

    Livorati, André L. P.; Dettmann, Carl P.; Caldas, Iberê L.; Leonel, Edson D.

    2015-10-01

    The transport and diffusion properties for the velocity of a Fermi-Ulam model were characterized using the decay rate of the survival probability. The system consists of an ensemble of non-interacting particles confined to move along and experience elastic collisions with two infinitely heavy walls. One is fixed, working as a returning mechanism of the colliding particles, while the other one moves periodically in time. The diffusion equation is solved, and the diffusion coefficient is numerically estimated by means of the averaged square velocity. Our results show remarkably good agreement of the theory and simulation for the chaotic sea below the first elliptic island in the phase space. From the decay rates of the survival probability, we obtained transport properties that can be extended to other nonlinear mappings, as well to billiard problems.

  8. The Open Format and Citizen Participation in Transportation Planning

    DEFF Research Database (Denmark)

    Flyvbjerg, Bent

    1984-01-01

    Recent developments in transportation planning and policy indicate that citizen participation and openness may receive less emphasis in the future in favor of more closed methods of decision making and control. Have the merits and drawbacks of citizen participation and openness changed significan......Recent developments in transportation planning and policy indicate that citizen participation and openness may receive less emphasis in the future in favor of more closed methods of decision making and control. Have the merits and drawbacks of citizen participation and openness changed...... with the trend for considering social, environmental, and ethical issues in transportation planning and policy....

  9. Electron transport properties in InAs four-terminal ballistic junctions under weak magnetic fields

    International Nuclear Information System (INIS)

    Koyama, M.; Fujiwara, K.; Amano, N.; Maemoto, T.; Sasa, S.; Inoue, M.

    2009-01-01

    We report on the electron transport properties based on ballistic electrons under magnetic fields in four-terminal ballistic junctions fabricated on an InAs/AlGaSb heterostructure. The four-terminal junction structure is composed of two longitudinal stems with two narrow wires slanted with 30 degree from the perpendicular axis. The electron focusing peak was obtained with the bend resistance measurement. Then it was investigated the nonlinear electron transport property of potential difference between longitudinal stems due to ballistic electrons with applying direct current from narrow wires. Observed nonlinearity showed clear rectification effects which have negative polarity regardless of input voltage polarity. Although this nonlinearity was qualitatively changed due to the Lorentz force under magnetic fields, the degradation of ballistic effects on nonlinear properties were observed when the current increased to higher strength. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Literature Survey of Crude Oil Properties Relevant to Handling and Fire Safety in Transport.

    Energy Technology Data Exchange (ETDEWEB)

    Lord, David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Luketa, Anay [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Wocken, Chad [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Schlasner, Steve [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Aulich, Ted [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Allen, Ray [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Rudeen, David Keith [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-03-01

    Several fiery rail accidents in 2013-2015 in the U.S. and Canada carrying crude oil produced from the Bakken region of North Dakota have raised questions at many levels on the safety of transporting this, and other types of crude oil, by rail. Sandia National Laboratories was commissioned by the U.S. Department of Energy to investigate the material properties of crude oils, and in particular the so-called "tight oils" like Bakken that comprise the majority of crude oil rail shipments in the U.S. at the current time. The current report is a literature survey of public sources of information on crude oil properties that have some bearing on the likelihood or severity of combustion events that may occur around spills associated with rail transport. The report also contains background information including a review of the notional "tight oil" field operating environment, as well a basic description of crude oils and potential combustion events in rail transport. This page intentionally blank

  11. Modeling the transport properties of epitaxially grown thermoelectric oxide thin films using spectroscopic ellipsometry

    KAUST Repository

    Sarath Kumar, S. R.

    2012-02-01

    The influence of oxygen vacancies on the transport properties of epitaxial thermoelectric (Sr,La)TiO3 thin films is determined using electrical and spectroscopic ellipsometry (SE) measurements. Oxygen vacancy concentration was varied by ex-situ annealing in Ar and Ar/H2. All films exhibited degenerate semiconducting behavior, and electrical conductivity decreased (258–133 S cm−1) with increasing oxygen content. Similar decrease in the Seebeck coefficient is observed and attributed to a decrease in effective mass (7.8–3.2 me ), as determined by SE. Excellent agreement between transport properties deduced from SE and direct electrical measurements suggests that SE is an effective tool for studying oxide thin film thermoelectrics.

  12. Microstructural effects on the magnetic and magneto-transport properties of electrodeposited Ni nanowire arrays

    International Nuclear Information System (INIS)

    Chen, Shu-Fang; Wei, Hao Han; Liu, Chuan-Pu; Hsu, C Y; Huang, J C A

    2010-01-01

    The magnetic and magneto-transport properties of Ni nanowire (NW) arrays, fabricated by electrodeposition in anodic-aluminum-oxide (AAO) templates, have been investigated. The AAO pores have diameters ranging from 35 to 75 nm, and the crystallinity of the Ni NW arrays could change from poly-crystalline to single-crystalline with the [111] and [110] orientations based on the electrodeposition potential. Notably, double switching magnetization loops and double-peaked magnetoresistance curves were observed in [110]-oriented NWs. The crystalline orientation of the Ni NW arrays is found to influence the corresponding magnetic and magneto-transport properties significantly. These magnetic behaviors are dominated by the competition between the magneto-crystalline and shape anisotropy.

  13. Modeling the transport properties of epitaxially grown thermoelectric oxide thin films using spectroscopic ellipsometry

    KAUST Repository

    Sarath Kumar, S. R.; Abutaha, Anas I.; Hedhili, Mohamed N.; Alshareef, Husam N.

    2012-01-01

    The influence of oxygen vacancies on the transport properties of epitaxial thermoelectric (Sr,La)TiO3 thin films is determined using electrical and spectroscopic ellipsometry (SE) measurements. Oxygen vacancy concentration was varied by ex-situ annealing in Ar and Ar/H2. All films exhibited degenerate semiconducting behavior, and electrical conductivity decreased (258–133 S cm−1) with increasing oxygen content. Similar decrease in the Seebeck coefficient is observed and attributed to a decrease in effective mass (7.8–3.2 me ), as determined by SE. Excellent agreement between transport properties deduced from SE and direct electrical measurements suggests that SE is an effective tool for studying oxide thin film thermoelectrics.

  14. 11 CFR 7.20 - Gifts, entertainment, and favors.

    Science.gov (United States)

    2010-01-01

    ... 11 Federal Elections 1 2010-01-01 2010-01-01 false Gifts, entertainment, and favors. 7.20 Section... of Special Commission Employees § 7.20 Gifts, entertainment, and favors. Except as provided at 11 CFR... a gift, gratuity, loan, entertainment, or favor for himself or herself, or for another person...

  15. The influence of Ga{sup +} irradiation on the transport properties of mesoscopic conducting thin films

    Energy Technology Data Exchange (ETDEWEB)

    Barzola-Quiquia, J; Dusari, S; Bridoux, G; Bern, F; Molle, A; Esquinazi, P, E-mail: j.barzola@physik.uni-leipzig.de, E-mail: esquin@physik.uni-leipzig.de [Division of Superconductivity and Magnetism, Universitaet Leipzig, Linnestrasse 5, D-04103 Leipzig (Germany)

    2010-04-09

    We studied the influence of 30 keV Ga{sup +}-ions-commonly used in focused-ion-beam (FIB) devices-on the transport properties of thin crystalline graphite flakes, and La{sub 0.7}Ca{sub 0.3}MnO{sub 3} and Co thin films. The changes in electrical resistance were measured in situ during irradiation and also the temperature and magnetic field dependence before and after irradiation. Our results show that the transport properties of these materials strongly change at Ga{sup +} fluences much below those used for patterning and ion-beam-induced deposition (IBID), seriously limiting the use of FIB when the intrinsic properties of the materials of interest are of importance. We present a method that can be used to protect the sample as well as to produce selectively irradiation-induced changes.

  16. Enhancement in transport properties of seeded melt-textured YBCO by Cu-site doping

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Yu X. [Department of Physics, Hong Kong Baptist University, Kowloon (China); Texas Center for Superconductivity and Department of Mechanical Engineering, University of Houston, Houston, TX (United States); Lo, W.; Salama, Kamel [Texas Center for Superconductivity and Department of Mechanical Engineering, University of Houston, Houston, TX (United States); Tang, Tong B. [Department of Physics, Hong Kong Baptist University, Kowloon (China)

    2002-05-01

    A significant research effort has been made worldwide to introduce nanometre-scale weak superconducting regions into seeded melt-textured superconductors to enhance their critical current density, trapped magnetic field and levitation force. The enhancement in these properties is dependent on the pinning forces exerted on the magnetic flux lines. In this paper we present a substantial improvement in the transport properties of these materials by optimizing the fabrication conditions, controlling the oxygen deficiency, as well as adjusting the doping level of Zn in YBa{sub 2}(Cu{sub 1-x}Zn{sub x}){sub 3}O{sub 7-}{delta} large grains. The enhancement is found to be as much as 30% by doping between about x=0.001 25 and 0.002 53. The results strongly indicate that the introduction of local nanometre-scale weak superconducting regions by Zn substitution for Cu in the CuO{sub 2} plane enhances the transport properties. Due to the simplicity of the processing conditions, these doping techniques can have a significant potential for a variety of engineering applications. (author)

  17. Magnetoelectric and transport properties of (GaMn)Sb thin films: A ferrimagnetic phase in dilute alloys

    Energy Technology Data Exchange (ETDEWEB)

    Calderón, Jorge A. [Universidad Nacional de Colombia – Bogotá, Dpto. de Física, Grupo de Materiales Nanoestructurados y sus Aplicaciones, Cra. 30 No. 45-03 Edificio 404 Lab. 121C Ciudad Universitaria, Bogotá (Colombia); Mesa, F., E-mail: fredy.mesa@urosario.edu.co [Grupo NanoTech, Facultad de Ciencias Naturales y Matemáticas, Universidad del Rosario, Cra. 24 No. 63C-69, Bogotá (Colombia); Dussan, A. [Universidad Nacional de Colombia – Bogotá, Dpto. de Física, Grupo de Materiales Nanoestructurados y sus Aplicaciones, Cra. 30 No. 45-03 Edificio 404 Lab. 121C Ciudad Universitaria, Bogotá (Colombia)

    2017-02-28

    Highlights: • (GaMn)Sb thin films were fabricated using the direct current (DC) magnetron co-sputtering. • Presence of ferrimagnetic (Mn{sub 2}Sb) and ferromagnetic (Mn{sub 2}Sb{sub 2}) phases. • A minor difference of 1% was found with respect to percolation theory, which confirmed the validity of the diffusional model in semiconductor alloys with magnetic properties. • Increase in the localized states density (N{sub F}) with increasing substrate temperature. - Abstract: We studied the electrical, magnetic, and transport properties of (GaMn)Sb thin films fabricated by the direct current magnetron co-sputtering method. Using X-ray powder diffraction measurements, we identified the presence of ferrimagnetic (Mn{sub 2}Sb) and ferromagnetic (Mn{sub 2}Sb{sub 2}) phases within the films. We also measured the magnetization of the films versus an applied magnetic field as well as their hysteresis curves at room temperature. We determined the electrical and transport properties of the films through temperature-dependent resistivity measurements using the Van Der Pauw method. The main contribution to the transport process was variable range hopping. Hopping parameters were calculated using percolation theory and refined using the diffusional model. In addition, we determined that all samples had p type semiconductor behavior, that there was an increase in the density of localized states near the Fermi level, and that the binary magnetic phases influenced the electrical properties and transport mechanisms.

  18. Phase diagram and transport properties for hydrogen-helium fluid planets

    International Nuclear Information System (INIS)

    Stevenson, D.J.; Salpeter, E.E.

    1977-01-01

    Hydrogen and helium are the major constituents of Jupiter and Saturn, and phase transitions can have important effects on the planetary structure. In this paper, the relevant phase diagrams and microscopic transport properties are analyzed in detail. The following paper (Paper II) applies these results to the evolution and present dynamic structure of the Jovian planets.Pure hydrogen is first discussed, especially the nature of the molecular-metallic transition and the melting curves for the two phases. It is concluded that at the temperatures and pressures of interest (Tapprox. =10 4 K, Papprox. =1--10 Mbar), both phases are fluid, but the transition between them might nevertheless be first-order. The insulator-metal transition in helium occurs at a much higher pressure (approx.70 Mbars) and is not of interest.The phase diagrams for both molecular and metallic hydrogen-helium mixtures are discussed. In the metallic mixture, calculations indicate a miscibility gap for T9 or approx. =10 4 K. Immiscibility in the molecular mixture is more difficult to predict but almost certainly occurs at much lower temperatures. A fluid-state model is constructed which predicts the likely topology of the three-dimensional phase diagram. The greater solubility of helium in the molecular phase leads to the prediction that the He/H mass ratio is typically twice as large in the molecular phase as in the coexisting metallic phase. Under these circumstances a ''density inversion'' is possible in which the molecular phase becomes more dense than the metallic phase.The partitioning of minor constituents is also considered: The deuterium/hydrogen mass ratio is essentially the same for all coexisting hydrogen-helium phases, at least for T> or approx. =5000 K. The partitioning of H 2 O, CH 4 , and NH 3 probably favors the molecular (or helium-rich) phase. Substances with high conduction electron density (e.g., Al) may partition into the metallic phase

  19. Proton transport properties in zwitterion blends with Brønsted acids.

    Science.gov (United States)

    Yoshizawa-Fujita, Masahiro; Byrne, Nolene; Forsyth, Maria; MacFarlane, Douglas R; Ohno, Hiroyuki

    2010-12-16

    We describe zwitterion, 3-(1-butyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate (Bimps), mixtures with 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfoneamide (HN(Tf)(2)) as new proton transport electrolytes. We report proton transport mechanisms in the mixtures based on results from several methods including thermal analyses, the complex-impedance method, and the pulsed field gradient spin echo NMR (pfg-NMR) method. The glass transition temperature (Tg) of the mixtures decreased with increasing HN(Tf)(2) concentration up to 50 mol %. The Tg remained constant at -55 °C with further acid doping. The ionic conductivity of HN(Tf)(2) mixtures increased with the HN(Tf)(2) content up to 50 mol %. Beyond that ratio, the mixtures showed no increase in ionic conductivity (10(-4) S cm(-1) at room temperature). This tendency agrees well with that of Tg. However, the self-diffusion coefficients obtained from the pfg-NMR method increased with HN(Tf)(2) content even above 50 mol % for all component ions. At HN(Tf)(2) 50 mol %, the proton diffusion of HN(Tf)(2) was the fastest in the mixture. These results suggest that Bimps cannot dissociate excess HN(Tf)(2), that is, the excess HN(Tf)(2) exists as molecular HN(Tf)(2) in the mixtures. The zwitterion, Bimps, forms a 1:1 complex with HN(Tf)(2) and the proton transport property in this mixture is superior to those of other mixing ratios. Furthermore, CH(3)SO(3)H and CF(3)SO(3)H were mixed with Bimps for comparison. Both systems showed a similar tendency, which differed from that of the HN(Tf)(2) system. The Tg decreased linearly with increasing acid content for every mixing ratio, while the ionic conductivity increased linearly. Proton transport properties in zwitterion/acid mixtures were strongly affected by the acid species added.

  20. Low temperature carrier transport properties in isotopically controlled germanium

    Energy Technology Data Exchange (ETDEWEB)

    Itoh, Kohei [Univ. of California, Berkeley, CA (United States)

    1994-12-01

    Investigations of electronic and optical properties of semiconductors often require specimens with extremely homogeneous dopant distributions and precisely controlled net-carrier concentrations and compensation ratios. The previous difficulties in fabricating such samples are overcome as reported in this thesis by growing high-purity Ge single crystals of controlled 75Ge and 70Ge isotopic compositions, and doping these crystals by the neutron transmutation doping (NTD) technique. The resulting net-impurity concentrations and the compensation ratios are precisely determined by the thermal neutron fluence and the [74Ge]/[70Ge] ratios of the starting Ge materials, respectively. This method also guarantees unprecedented doping uniformity. Using such samples the authors have conducted four types of electron (hole) transport studies probing the nature of (1) free carrier scattering by neutral impurities, (2) free carrier scattering by ionized impurities, (3) low temperature hopping conduction, and (4) free carrier transport in samples close to the metal-insulator transition.

  1. Sodium-coupled neutral amino acid (System N/A) transporters of the SLC38 gene family.

    Science.gov (United States)

    Mackenzie, Bryan; Erickson, Jeffrey D

    2004-02-01

    The sodium-coupled neutral amino acid transporters (SNAT) of the SLC38 gene family resemble the classically-described System A and System N transport activities in terms of their functional properties and patterns of regulation. Transport of small, aliphatic amino acids by System A subtypes (SNAT1, SNAT2, and SNAT4) is rheogenic and pH sensitive. The System N subtypes SNAT3 and SNAT5 also countertransport H(+), which may be key to their operation in reverse, and have narrower substrate profiles than do the System A subtypes. Glutamine emerges as a favored substrate throughout the family, except for SNAT4. The SLC38 transporters undoubtedly play many physiological roles including the transfer of glutamine from astrocyte to neuron in the CNS, ammonia detoxification and gluconeogenesis in the liver, and the renal response to acidosis. Probing their regulation has revealed additional roles, and recent work has considered SLC38 transporters as therapeutic targets in neoplasia.

  2. Spin-dependent transport properties of oleic acid molecule self-assembled La0.7Sr0.3MnO3 nanoparticles

    International Nuclear Information System (INIS)

    Xi, L.; Du, J.H.; Ma, J.H.; Wang, Z.; Zuo, Y.L.; Xue, D.S.

    2013-01-01

    Highlights: ► Spin-dependent transport property of LSMO/oleic acid nanoparticles is investigated. ► Transport properties and MR measured by Cu/nanoparticle assembly/elargol device. ► Non-linear I–V curve indicates a tunneling type transport properties. ► Tunnel barrier height around 1.3 ± 0.15 eV was obtained by fitting I–V curves. ► LFMR of LSMO/oleic acid molecules value reaches −18% with current of 0.1 μA at 10 K. - Abstract: Spin-dependent transport property through molecules is investigated using a monolayer of oleic acid molecule self-assembled half metallic La 0.7 Sr 0.3 MnO 3 (LSMO) nanoparticles, which was synthesized using a coprecipitation method. Fourier transform infrared spectroscopy was used to confirm that one-monolayer oleic acid molecules chemically bond to the LSMO nanoparticles. The transport properties and magnetoresistance (MR) effect of the oleic acid molecule coated LSMO nanoparticles were measured by a direct current four probes method using a Cu/nanoparticle assembly/elargol electrode sandwich device with various temperatures and bias voltages. The non-linear I–V curve indicates a tunneling type transport properties. The tunnel barrier height around 1.3 ± 0.15 eV was obtained by fitting the I–V curve according to the Simmons equation. The magnetoresistance curves can be divided to high-field MR and low-field MR (LFMR) parts. The former is ascribed to the influence of spin disorder or canting within the LSMO nanoparticle surface and the latter one with strong bias dependence is attributed to the spin-dependent tunneling effect through the insulating surface layer of LSMO and oleic acid molecules. The enhanced LFMR effect for oleic acid coated LSMO with respect to the bare LSMO was attributed to the enhanced tunneling transport and weak spin scattering in oleic acid molecule barrier.

  3. Transport Properties of the Organic Conductor (TMTSF)2BrO4: Evidence of Variable Range Hopping

    DEFF Research Database (Denmark)

    Mortensen, Kell; Jacobsen, Claus Schelde; Bechgaard, Klaus

    1984-01-01

    A study of d.c. and microwave conductivity and thermoelectric power of the organic conductor (TMTSF)2BrO4 is presented. The transport properties are in qualitative agreement with charge transport via variable-range hopping among localized states. The localization is attributed to the anions, which...

  4. Influence of structural properties on ballistic transport in nanoscale epitaxial graphene cross junctions

    International Nuclear Information System (INIS)

    Bock, Claudia; Weingart, Sonja; Karaissaridis, Epaminondas; Kunze, Ulrich; Speck, Florian; Seyller, Thomas

    2012-01-01

    In this paper we investigate the influence of material and device properties on the ballistic transport in epitaxial monolayer graphene and epitaxial quasi-free-standing monolayer graphene. Our studies comprise (a) magneto-transport in two-dimensional (2D) Hall bars, (b) temperature- and magnetic-field-dependent bend resistance of unaligned and step-edge-aligned orthogonal cross junctions, and (c) the influence of the lead width of the cross junctions on ballistic transport. We found that ballistic transport is highly sensitive to scattering at the step edges of the silicon carbide substrate. A suppression of the ballistic transport is observed if the lead width of the cross junction is reduced from 50 nm to 30 nm. In a 50 nm wide device prepared on quasi-free-standing graphene we observe a gradual transition from the ballistic into the diffusive transport regime if the temperature is increased from 4.2 to about 50 K, although 2D Hall bars show a temperature-independent mobility. Thus, in 1D devices additional temperature-dependent scattering mechanisms play a pivotal role. (paper)

  5. Effect of surface roughness scattering on the transport properties of a 2DEG

    International Nuclear Information System (INIS)

    Yarar, Z.

    2004-01-01

    In this work surface roughness scattering of electrons in a two dimensional electron gas (2DEG) formed at heterojunction interfaces is investigated for various auto-correlation functions. Gaussian, exponential and Lorentzian auto-correlation functions are used to represent surface roughness. Poisson and Schrodinger equations are solved self consistently at the hetero interface to find the energy levels, the wave functions corresponding to each level and electron concentrations at each level. Using these wave functions and the auto-correlation functions mentioned above, the scattering rates due to surface roughness are calculated. Scattering rates resulting from acoustic and optical phonons are also calculated. These rates are used to study the transport properties of the two dimensional electrons using ensemble Monte Carlo method at various temperatures. Emphasis is given to the effect of surface roughness scattering on the transport properties of the electrons

  6. An Assessment of Transport Property Estimation Methods for Ammonia–Water Mixtures and Their Influence on Heat Exchanger Size

    DEFF Research Database (Denmark)

    Kærn, Martin Ryhl; Modi, Anish; Jensen, Jonas Kjær

    2015-01-01

    Transport properties of fluids are indispensable for heat exchanger design. The methods for estimating the transport properties of ammonia–water mixtures are not well established in the literature. The few existent methods are developed from none or limited, sometimes inconsistent experimental...... of ammonia–water mixtures. Firstly, the different methods are introduced and compared at various temperatures and pressures. Secondly, their individual influence on the required heat exchanger size (surface area) is investigated. For this purpose, two case studies related to the use of the Kalina cycle...... the interpolative methods in contrast to the corresponding state methods. Nevertheless, all possible mixture transport property combinations used herein resulted in a heat exchanger size within 4.3 % difference for the flue-gas heat recovery boiler, and within 12.3 % difference for the oil-based boiler....

  7. 1D-transport properties of single superconducting lead nanowires

    DEFF Research Database (Denmark)

    Michotte, S.; Mátéfi-Tempfli, Stefan; Piraux, L.

    2003-01-01

    of the nanowire is small enough to ensure a 1D superconducting regime in a wide temperature range below T. The non-zero resistance in the superconducting state and its variation caused by fluctuations of the superconducting order parameter were measured versus temperature, magnetic field, and applied DC current......We report on the transport properties of single superconducting lead nanowires grown by an electrodeposition technique, embedded in a nanoporous track-etched polymer membrane. The nanowires are granular, have uniform diameter of ̃40 nm and a very large aspect ratio (̃500). The diameter...

  8. Study of transport properties of bodies with a perovskite structure: application to the MgSiO3 perovskite

    International Nuclear Information System (INIS)

    Kapusta, Benedicte

    1990-01-01

    After some recalls on transport in ionic solids (Nernst-Einstein relationship, variation of ionic conductivity, hybrid conduction, fast ionic conduction), this research thesis presents the physical properties of perovskites and more particularly the structure and stability of the MgSiO 3 perovskite: structure and elastic properties, electric conductivity and transport properties in compounds with a perovskite structure. Then, the author reports the experimental study of the KZnF 3 perovskite (a structural analogous of MgSiO 3 ): measurements of electric conductivity under pressure, measurements under atmospheric pressure, result discussion. The next part addresses the numerical simulation of MgSiO 3 : simulation techniques (generalities on molecular dynamics, model description), investigation of structural, elastic and thermodynamic properties, diffusion properties in quadratic phase [fr

  9. Transport Properties of the Nuclear Pasta Phase with Quantum Molecular Dynamics

    Science.gov (United States)

    Nandi, Rana; Schramm, Stefan

    2018-01-01

    We study the transport properties of nuclear pasta for a wide range of density, temperature, and proton fractions, relevant for different astrophysical scenarios adopting a quantum molecular dynamics model. In particular, we estimate the values of shear viscosity as well as electrical and thermal conductivities by calculating the static structure factor S(q) using simulation data. In the density and temperature range where the pasta phase appears, the static structure factor shows irregular behavior. The presence of a slab phase greatly enhances the peak in S(q). However, the effect of irregularities in S(q) on the transport coefficients is not very dramatic. The values of all three transport coefficients are found to have the same orders of magnitude as found in theoretical calculations for the inner crust matter of neutron stars without the pasta phase; therefore, the values are in contrast to earlier speculations that a pasta layer might be highly resistive, both thermally and electrically.

  10. Transport phenomena

    International Nuclear Information System (INIS)

    Kirczenow, G.; Marro, J.

    1974-01-01

    Some simple remarks on the basis of transport theory. - Entropy, dynamics and scattering theory. - Response, relaxation and fluctuation. - Fluctuating hydrodynamics and renormalization of susceptibilities and transport coefficients. - Irreversibility of the transport equations. - Ergodic theory and statistical mechanics. - Correlation functions in Heisenberg magnets. - On the Enskog hard-sphere kinetic eqquation and the transport phenomena of dense simple gases. - What can one learn from Lorentz models. - Conductivity in a magnetic field. - Transport properties in gases in presence of external fields. - Transport properties of dilute gases with internal structure. (orig.) [de

  11. Promising reciprocity: When proposing a favor for a request increases compliance even if the favor is not accepted.

    Science.gov (United States)

    Guéguen, Nicolas; Meineri, Sébastien; Ruiz, Clément; Pascual, Alexandre

    2016-01-01

    Research has reported that reciprocity is an important social norm in relationships. In previous studies on reciprocity, participants' behavior was examined after receiving a favor from someone. In a series of field studies, we examined the effect of a statement that proved that a solicitor was someone who respected this principle. Confederates solicited participants for money or a cigarette in exchange for stamps or money, respectively. It was found that the participants complied more readily with the request in the promised favor condition, but most of them refused to take the promised favor. We conclude that individuals were led to help those who respected the putative norm of reciprocity in their social interaction.

  12. The electronic transport properties of defected bilayer sliding armchair graphene nanoribbons

    Science.gov (United States)

    Mohammadi, Amin; Haji-Nasiri, Saeed

    2018-04-01

    By applying non-equilibrium Green's functions (NEGF) in combination with tight-binding (TB) model, we investigate and compare the electronic transport properties of perfect and defected bilayer armchair graphene nanoribbons (BAGNRs) under finite bias. Two typical defects which are placed in the middle of top layer (i.e. single vacancy (SV) and stone wale (SW) defects) are examined. The results reveal that in both perfect and defected bilayers, the maximum current refers to β-AB, AA and α-AB stacking orders, respectively, since the intermolecular interactions are stronger in them. Moreover it is observed that a SV decreases the current in all stacking orders, but the effects of a SW defect is nearly unpredictable. Besides, we introduced a sequential switching behavior and the effects of defects on the switching performance is studied as well. We found that a SW defect can significantly improve the switching behavior of a bilayer system. Transmission spectrum, band structure, molecular energy spectrum and molecular projected self-consistent Hamiltonian (MPSH) are analyzed subsequently to understand the electronic transport properties of these bilayer devices which can be used in developing nano-scale bilayer systems.

  13. Molecular structure, photoluminescent and electroluminescent properties of bis(2-(4-methyl-2-hydroxyphenyl)benzothiazolate) zinc with excellent electron-transport characteristics

    International Nuclear Information System (INIS)

    Xu Huixia; Xu Bingshe; Fang Xiaohong; Yue Yan; Chen Liuqing; Wang Hua; Hao Yuying

    2011-01-01

    Highlights: → The synthesis, crystal structure and photophysical properties of Zn(4-MeBTZ) 2 were reported. → The electron-transport property was investigated by theoretical calculations and experimental. → We found that Zn(4-MeBTZ) 2 has a higher electron mobility than that of [Zn(BTZ) 2 ] 2 and the devices based on it have a lower turn-on voltage. - Abstract: In this article, the molecular structure, photoluminescent and electroluminescent properties of bis(2-(4-methyl-2-hydroxyphenyl) benzothiazolate) zinc (Zn(4-MeBTZ) 2 ) with good electron-transport characteristics were reported. This complex was identified as triclinic structure with the strong intermolecular π-π stacking interactions between the benzothiazolate/phenoxido rings and weak intramolecular hydrogen bonds by X-ray single-crystal diffraction. Quantum chemical method has been employed to investigate electron structure and charge transport property. The blue-green light emission was observed by fabricating double-layer devices using Zn(4-MeBTZ) 2 as electron-transport and NPB as hole-transport material. The performance of organic light-emitting devices based on Zn(4-MeBTZ) 2 is much better than that of the devices based on [Zn(BTZ) 2 ] 2 .

  14. Spent fuels transportation coming from Australia; Transport de combustible use en provenance d'Australie

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-07-01

    Maritime transportation of spent fuels from Australia to France fits into the contract between COGEMA and ANSTO, signed in 1999. This document proposes nine information cards in this domain: HIFAR a key tool of the nuclear, scientific and technological australian program; a presentation of the ANSTO Australian Nuclear Science and Technology Organization; the HIFAR spent fuel management problem; the COGEMA expertise in favor of the research reactor spent fuel; the spent fuel reprocessing at La Hague; the transports management; the transport safety (2 cards); the regulatory framework of the transports. (A.L.B.)

  15. Enhancement of transport properties of a Brownian particle due to quantum effects: Smoluchowski limit

    International Nuclear Information System (INIS)

    Shit, Anindita; Chattopadhyay, Sudip; Chaudhuri, Jyotipratim Ray

    2012-01-01

    Graphical abstract: By invoking physically motivated coordinate transformation into quantum Smoluchowski equation, we have presented a transparent treatment for the determination of the effective diffusion coefficient and current of a quantum Brownian particle. Substantial enhancement in the efficiency of the diffusive transport is envisaged due to the quantum correction effects. Highlights:: ► Transport of a quantum Brownian particle in a periodic potential has been addressed. ► Governing quantum Smoluchowski equation (QSE) includes state dependent diffusion. ► A coordinate transformation is used to recast QSE with constant diffusion. ► Transport properties increases in comparison to the corresponding classical result. ► This enhancement is purely a quantum effect. - Abstract: The transport property of a quantum Brownian particle that interacts strongly with a bath (in which a typical damping constant by far exceeds a characteristic frequency of the isolated system) under the influence of a tilted periodic potential has been studied by solving quantum Smoluchowski equation (QSE). By invoking physically motivated coordinate transformation into QSE, we have presented a transparent treatment for the determination of the effective diffusion coefficient of a quantum Brownian particle and the current (the average stationary velocity). Substantial enhancement in the efficiency of the diffusive transport is envisaged due to the quantum correction effects only if the bath temperature hovers around an appropriate range of intermediate values. Our findings also confirm the results obtained in the classical cases.

  16. Energy band and transport properties in magnetic aperiodic graphene superlattices of Thue-Morse sequence

    Science.gov (United States)

    Yin, Yiheng; Niu, Yanxiong; Zhang, Huiyun; Zhang, Yuping; Liu, Haiyue

    2016-02-01

    Utilizing the transfer matrix method, we develop the electronic band structure and transport properties in Thue-Morse aperiodic graphene superlattices with magnetic barriers. It is found that the normal transmission is blocked and the position of the Dirac point can be shifted along the wavevector axis by changing the height and width ratio of magnetic barriers, which is intrinsic different from electronic field modulated superlattices. In addition, the angular threshold property of the transmission spectra and the oscillatory property of the conductance have been studied.

  17. Favorable effect of moderate dose caffeine on the skeletal system in ovariectomized rats.

    Science.gov (United States)

    Folwarczna, Joanna; Pytlik, Maria; Zych, Maria; Cegieła, Urszula; Kaczmarczyk-Sedlak, Ilona; Nowińska, Barbara; Sliwiński, Leszek

    2013-10-01

    Caffeine, a methylxanthine present in coffee, has been postulated to be responsible for an increased risk of osteoporosis in coffee drinkers; however, the data are inconsistent. The aim of the present study was to investigate the effects of a moderate dose of caffeine on the skeletal system of rats with normal and decreased estrogen level (developing osteoporosis due to estrogen deficiency). The experiments were carried out on mature nonovariectomized and ovariectomized Wistar rats, divided into control rats and rats receiving caffeine once daily, 20 mg/kg p.o., for 4 wk. Serum bone turnover markers, bone mass, mass of bone mineral, calcium and phosphorus content, histomorphometric parameters, and bone mechanical properties were examined. Caffeine favorably affected the skeletal system of ovariectomized rats, slightly inhibiting the development of bone changes induced by estrogen deficiency (increasing bone mineralization, and improving the strength and structure of cancellous bone). Moreover, it favorably affected mechanical properties of compact bone. There were no significant effects of caffeine in rats with normal estrogen levels. In conclusion, results of the present study indicate that low-to-moderate caffeine intake may exert some beneficial effects on the skeletal system of mature organisms. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. U.S. Transportation Command's Reporting of Property, Plant, and Equipment Assets on the FY 2000 DoD Agency-Wide Financial Statements

    National Research Council Canada - National Science Library

    Granetto, Paul

    2001-01-01

    .... The accuracy of the $78 billion of property, plant, and equipment reported on the FY 2000 DoD Agency-Wide Financial Statements is essential to DoD receiving favorable audit opinions on its financial statements. The U.S...

  19. Pressure tuning of the electrical transport properties of the Weyl semimetal NbP

    Energy Technology Data Exchange (ETDEWEB)

    Reis, Ricardo dos; Ajeesh, M.O.; Sun, Yan; Shekhar, Chandra; Schmidt, Marcus; Felser, Claudia; Yan, Binghai; Nicklas, Michael [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany)

    2016-07-01

    Recently enormous attention has been given to a class of material called Weyl semimetal (WSM) due to the prediction of many exotic phenomena, in particular exceptional transport properties, making these systems not only interesting for fundamental research, but also promising materials for novel applications. WSM can be viewed as the hybrid of 3D graphene and topological insulators. The band crossing point, the so-called Weyl point, acts as a magnetic monopole (a singular point of Berry curvature) in momentum space, which always comes in a pairs. If the time-reversal and inversion symmetries are respected, a pair of Weyl points is degenerate in energy, forming another topological phase called Dirac semimetal. Owing this complex band structure the details of the electronic structure can play a significant role in the electrical transport properties of these materials. In this context, external pressure is an important control parameter to effectively tune lattice structures and the corresponding electronic states in a systematic fashion, avoiding the complexity brought by chemical doping. Here, we present a high pressure study of the magnetotransport properties of the Weyl semimetal NbP, which are particularly important to explore novel phenomena and understand the physics behind.

  20. Bulk-Like Electrical Properties Induced by Contact-Limited Charge Transport in Organic Diodes: Revised Space Charge Limited Current

    KAUST Repository

    Xu, Guangwei

    2018-02-22

    Charge transport governs the operation and performance of organic diodes. Illuminating the charge-transfer/transport processes across the interfaces and the bulk organic semiconductors is at the focus of intensive investigations. Traditionally, the charge transport properties of organic diodes are usually characterized by probing the current–voltage (I–V) curves of the devices. However, to unveil the landscape of the underlying potential/charge distribution, which essentially determines the I–V characteristics, still represents a major challenge. Here, the electrical potential distribution in planar organic diodes is investigated by using the scanning Kelvin probe force microscopy technique, a method that can clearly separate the contact and bulk regimes of charge transport. Interestingly, by applying to devices based on novel, high mobility organic materials, the space-charge-limited-current-like I–V curves, which are previously believed to be a result of the bulk transport, are surprisingly but unambiguously demonstrated to be caused by contact-limited conduction. A model accounting is developed for the transport properties of both the two metal/organic interfaces and the bulk. The results indicate that pure interface-dominated transport can indeed give rise to I–V curves similar to those caused by bulk transport. These findings provide a new insight into the charge injection and transport processes in organic diodes.

  1. A review on ab initio studies of static, transport, and optical properties of polystyrene under extreme conditions for inertial confinement fusion applications

    Science.gov (United States)

    Hu, S. X.; Collins, L. A.; Boehly, T. R.; Ding, Y. H.; Radha, P. B.; Goncharov, V. N.; Karasiev, V. V.; Collins, G. W.; Regan, S. P.; Campbell, E. M.

    2018-05-01

    Polystyrene (CH), commonly known as "plastic," has been one of the widely used ablator materials for capsule designs in inertial confinement fusion (ICF). Knowing its precise properties under high-energy-density conditions is crucial to understanding and designing ICF implosions through radiation-hydrodynamic simulations. For this purpose, systematic ab initio studies on the static, transport, and optical properties of CH, in a wide range of density and temperature conditions (ρ = 0.1 to 100 g/cm3 and T = 103 to 4 × 106 K), have been conducted using quantum molecular dynamics (QMD) simulations based on the density functional theory. We have built several wide-ranging, self-consistent material-properties tables for CH, such as the first-principles equation of state, the QMD-based thermal conductivity (κQMD) and ionization, and the first-principles opacity table. This paper is devoted to providing a review on (1) what results were obtained from these systematic ab initio studies; (2) how these self-consistent results were compared with both traditional plasma-physics models and available experiments; and (3) how these first-principles-based properties of polystyrene affect the predictions of ICF target performance, through both 1-D and 2-D radiation-hydrodynamic simulations. In the warm dense regime, our ab initio results, which can significantly differ from predictions of traditional plasma-physics models, compared favorably with experiments. When incorporated into hydrocodes for ICF simulations, these first-principles material properties of CH have produced significant differences over traditional models in predicting 1-D/2-D target performance of ICF implosions on OMEGA and direct-drive-ignition designs for the National Ignition Facility. Finally, we will discuss the implications of these studies on the current small-margin ICF target designs using a CH ablator.

  2. Investigation of transport properties of FeTe compound

    Science.gov (United States)

    Lodhi, Pavitra Devi; Solanki, Neha; Choudhary, K. K.; Kaurav, Netram

    2018-05-01

    Transport properties of FeTe parent compound has been investigated by measurements of electrical resistivity, magnetic susceptibility and Seebeck coefficient. The sample was synthesized through a standard solid state reaction route via vacuum encapsulation and characterized by x-ray diffraction, which indicated a tetragonal phase with space group P4/nmm. The parent FeTe compound does not exhibit superconductivity but shows an anomaly in the resistivity measurement at around 67 K, which corresponds to a structural phase transition along with in the vicinity of a magnetic phase transition. In the low temperature regime, Seebeck coefficient, S(T), exhibited an anomalous dip feature and negative throughout the temperature range, indicating electron-like charge carrier conduction mechanism.

  3. In-Plane Magnetic Field Effect on the Transport Properties in a Quasi-3D Quantum Well Structure

    International Nuclear Information System (INIS)

    Brooks, J.; Clark, R.; Lumpkin, N.; O'Brien, J.; Reno, J.; Simmons, J.; Wang, Z.; Zhang, B.

    1999-01-01

    The transport properties of a quasi-three-dimensional, 200 layer quantum well structure are investigated at integer filling in the quantum Hall state. We find that the transverse magnetoresistance R xx , the Hall resistance R xy , and the vertical resistance R zz all follow a similar behavior with both temperature and in-plane magnetic field. A general feature of the influence of increasing in-plane field B in is that the Hall conductance quantization first improves, but above a characteristic value B C in , the quantization is systematically removed. We consider the interplay of the chid edge state transport and the bulk (quantum Hall) transport properties. This mechanism may arise from the competition of the cyclotron energy with the superlattice band structure energies. A comparison of the resuIts with existing theories of the chiral edge state transport with in-plane field is also discussed

  4. The obtaining and properties of asymmetric ion transport membrane for separating of oxygen from air

    Science.gov (United States)

    Solovieva, A. A.; Kulbakin, I. V.

    2018-04-01

    The bilayer oxygen-permeable membrane, consisting of a thin-film dense composite based on Co3O4 - 36 wt. % Bi2O3, and of a porous ceramic substrate of Co2SiO4, was synthesized and characterized. The way for obtaining of porous ceramic based on cobalt silicate was found, while the microstructure and the mechanical properties of porous ceramic were studied. Layered casting with post-pressing was used to cover the surface of porous support of Co2SiO4 by the Co3O4 - 36 wt. % Bi2O3 - based film. Transport properties of the asymmetric membrane have been studied, the kinetic features of oxygen transport have been established, and the characteristic thickness of the membrane has been estimated. The methods to prevent the high-temperature creep of ion transport membranes based on solid/molten oxides, which are the promising ones for obtaining of pure oxygen from air, are proposed and discussed.

  5. Direct Simulation of Transport Properties from Three-Dimensional (3D) Reconstructed Solid-Oxide Fuel-Cell (SOFC) Electrode Microstructures

    International Nuclear Information System (INIS)

    Gunda, Naga Siva Kumar; Mitra, Sushanta K

    2012-01-01

    A well-known approach to develop a high efficiency solid-oxide fuel-cell (SOFC) consists of extracting the microstructure and transport properties such as volume fractions, internal surface area, geometric connectivity, effective gas diffusivity, effective electronic conductivity and geometric tortuosities from three-dimensional (3D) microstructure of the SOFC electrodes; thereafter, performing the SOFC efficiency calculations using previously mentioned quantities. In the present work, dual-beam focused ion beam - scanning electron microscopy (FIB-SEM) is applied on one of the SOFC cathodes, a lanthanum strontium manganite (LSM) electrode, to estimate the aforementioned properties. A framework for calculating transport properties is presented in this work. 3D microstructures of LSM electrode are reconstructed from a series of two-dimensional (2D) cross-sectional FIB-SEM images. Volume percentages of connected, isolated and dead-ends networks of pore and LSM phases are estimated. Different networks of pore and LSM phases are discretized with tetrahedral elements. Finally, the finite element method (FEM) is applied to calculate effective gas diffusivity and electronic conductivity of pore and LSM phases, respectively. Geometric tortuosities are estimated from the porosity and effective transport properties. The results obtained using FEM are compared with the finite volume method (FVM) results obtained by Gunda et al. [J. Power Sources, 196(7), 35929(2011)] and other numerical results obtained on randomly generated porous medium. Effect of consideration of dead-ends and isolated-ends networks on calculation of effective transport properties is studied.

  6. Effective Heat and Mass Transport Properties of Anisotropic Porous Ceria for Solar Thermochemical Fuel Generation

    Directory of Open Access Journals (Sweden)

    Sophia Haussener

    2012-01-01

    Full Text Available High-resolution X-ray computed tomography is employed to obtain the exact 3D geometrical configuration of porous anisotropic ceria applied in solar-driven thermochemical cycles for splitting H2O and CO2. The tomography data are, in turn, used in direct pore-level numerical simulations for determining the morphological and effective heat/mass transport properties of porous ceria, namely: porosity, specific surface area, pore size distribution, extinction coefficient, thermal conductivity, convective heat transfer coefficient, permeability, Dupuit-Forchheimer coefficient, and tortuosity and residence time distributions. Tailored foam designs for enhanced transport properties are examined by means of adjusting morphologies of artificial ceria samples composed of bimodal distributed overlapping transparent spheres in an opaque medium.

  7. Trap-mediated electronic transport properties of gate-tunable pentacene/MoS2 p-n heterojunction diodes.

    Science.gov (United States)

    Kim, Jae-Keun; Cho, Kyungjune; Kim, Tae-Young; Pak, Jinsu; Jang, Jingon; Song, Younggul; Kim, Youngrok; Choi, Barbara Yuri; Chung, Seungjun; Hong, Woong-Ki; Lee, Takhee

    2016-11-10

    We investigated the trap-mediated electronic transport properties of pentacene/molybdenum disulphide (MoS 2 ) p-n heterojunction devices. We observed that the hybrid p-n heterojunctions were gate-tunable and were strongly affected by trap-assisted tunnelling through the van der Waals gap at the heterojunction interfaces between MoS 2 and pentacene. The pentacene/MoS 2 p-n heterojunction diodes had gate-tunable high ideality factor, which resulted from trap-mediated conduction nature of devices. From the temperature-variable current-voltage measurement, a space-charge-limited conduction and a variable range hopping conduction at a low temperature were suggested as the gate-tunable charge transport characteristics of these hybrid p-n heterojunctions. Our study provides a better understanding of the trap-mediated electronic transport properties in organic/2-dimensional material hybrid heterojunction devices.

  8. 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.

  9. Electronic transport properties of (fluorinated) metal phthalocyanine

    KAUST Repository

    Fadlallah, M M

    2015-12-21

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

  10. Electrical transport and pinning properties of Nb films with washboard-like nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Dobrovolskiy, Oleksandr V. [Physikalisches Institut Goethe-University, Frankfurt am Main (Germany); Department of Physics, Kharkiv National University (Ukraine); Begun, Evgeniya; Huth, Michael [Physikalisches Institut Goethe-University, Frankfurt am Main (Germany); Shklovskij, Valerij A. [Department of Physics, Kharkiv National University (Ukraine); Institute for Theoretical Physics NSC-KIPT, Kharkiv (Ukraine)

    2013-07-01

    A careful analysis of the magneto-transport properties of epitaxial nanostructured Nb thin films in the normal and the mixed state is performed. The nanopatterns were prepared by focused ion beam (FIB) milling. They provide a washboard-like pinning potential landscape for vortices in the mixed state and simultaneously cause a resistivity anisotropy in the normal state. Two matching magnetic fields for the vortex lattice with the underlying nanostructures have been observed. By applying these fields, the most likely pinning sites along which the flux lines move through the samples have been selected. By this, either the background isotropic pinning of the pristine film or the enhanced isotropic pinning originating from the nanoprocessing have been probed. Via an Arrhenius analysis of the resistivity data the pinning activation energies for three vortex lattice parameters have been quantified. The changes in the electrical transport and the pinning properties have been correlated with the results of the microstructural and topographical characterization of the FIB-patterned samples. The obtained results provide further insight into the pinning mechanisms at work in FIB-nanopatterned superconductors for fluxonic applications.

  11. Ionic structures and transport properties of hot dense W and U plasmas

    Science.gov (United States)

    Hou, Yong; Yuan, Jianmin

    2016-10-01

    We have combined the average-atom model with the hyper-netted chain approximation (AAHNC) to describe the electronic and ionic structure of uranium and tungsten in the hot dense matter regime. When the electronic structure is described within the average-atom model, the effects of others ions on the electronic structure are considered by the correlation functions. And the ionic structure is calculated though using the hyper-netted chain (HNC) approximation. The ion-ion pair potential is calculated using the modified Gordon-Kim model based on the electronic density distribution in the temperature-depended density functional theory. And electronic and ionic structures are determined self-consistently. On the basis of the ion-ion pair potential, we perform the classical (CMD) and Langevin (LMD) molecular dynamics to simulate the ionic transport properties, such as ionic self-diffusion and shear viscosity coefficients, through the ionic velocity correlation functions. Due that the free electrons become more and more with increasing the plasma temperature, the influence of the electron-ion collisions on the transport properties become more and more important.

  12. Subcellular location of astrocytic calcium stores favors extrasynaptic neuron-astrocyte communication.

    Science.gov (United States)

    Patrushev, Ilya; Gavrilov, Nikolay; Turlapov, Vadim; Semyanov, Alexey

    2013-11-01

    Neuron-astrocyte interactions are important for brain computations and synaptic plasticity. Perisynaptic astrocytic processes (PAPs) contain a high density of transporters that are responsible for neurotransmitter clearance. Metabotropic glutamate receptors are thought to trigger Ca(2+) release from Ca(2+) stores in PAPs in response to synaptic activity. Our ultrastructural study revealed that PAPs are actually devoid of Ca(2+) stores and have a high surface-to-volume ratio favorable for uptake. Astrocytic processes containing Ca(2+) stores were located further away from the synapses and could therefore respond to changes in ambient glutamate. Thus, the anatomic data do not support communication involving Ca(2+) stores in tripartite synapses, but rather point to extrasynaptic communication. Copyright © 2013 Elsevier Ltd. All rights reserved.

  13. Transport properties of Lu.sub.2./sub.Fe.sub.17./sub. single crystals under extreme conditions

    Czech Academy of Sciences Publication Activity Database

    Skorokhod, Yuriy; Arnold, Zdeněk; Kamarád, Jiří; Andreev, Alexander V.

    2004-01-01

    Roč. 11, č. 3 (2004), s. 471-475 ISSN 1027-5495 R&D Projects: GA ČR(CZ) GA106/02/0943 Institutional research plan: CEZ:AV0Z1010914 Keywords : transport properties * magnetotransport properties * pressure effect * single crystals * intermetallic compounds Subject RIV: BM - Solid Matter Physics ; Magnetism

  14. Size distribution and optical properties of mineral dust aerosols transported in the western Mediterranean

    Directory of Open Access Journals (Sweden)

    C. Denjean

    2016-02-01

    Full Text Available This study presents in situ aircraft measurements of Saharan mineral dust transported over the western Mediterranean basin in June–July 2013 during the ChArMEx/ADRIMED (the Chemistry-Aerosol Mediterranean Experiment/Aerosol Direct Radiative Impact on the regional climate in the MEDiterranean region airborne campaign. Dust events differing in terms of source region (Algeria, Tunisia and Morocco, time of transport (1–5 days and height of transport were sampled. Mineral dust were transported above the marine boundary layer, which conversely was dominated by pollution and marine aerosols. The dust vertical structure was extremely variable and characterized by either a single layer or a more complex and stratified structure with layers originating from different source regions. Mixing of mineral dust with pollution particles was observed depending on the height of transport of the dust layers. Dust layers carried a higher concentration of pollution particles below 3 km above sea level (a.s.l. than above 3 km a.s.l., resulting in a scattering Ångström exponent up to 2.2 below 3 km a.s.l. However, the optical properties of the dust plumes remained practically unchanged with respect to values previously measured over source regions, regardless of the altitude. Moderate absorption of light by the dust plumes was observed with values of aerosol single scattering albedo at 530 nm ranging from 0.90 to 1.00. Concurrent calculations from the aerosol chemical composition revealed a negligible contribution of pollution particles to the absorption properties of the dust plumes that was due to a low contribution of refractory black carbon in regards to the fraction of dust and sulfate particles. This suggests that, even in the presence of moderate pollution, likely a persistent feature in the Mediterranean, the optical properties of the dust plumes could be assumed similar to those of native dust in radiative transfer simulations, modelling

  15. Pressure and irradiation effects on transport properties of samarium compounds with instable valence

    International Nuclear Information System (INIS)

    Morillo, J.

    1981-01-01

    Electron transport properties in samarium compounds with instable valence are studied in this thesis: from SmS in its integer valence phases at common pressure to SmB 6 compound IV at common pressure through SmSsub(1-x)Psub(x) (x 6 is presented [fr

  16. Atomistic Force Field for Pyridinium-Based Ionic Liquids: Reliable Transport Properties

    DEFF Research Database (Denmark)

    Voroshylova, I. V.; Chaban, V. V.

    2014-01-01

    Reliable force field (FF) is a central issue in successful prediction of physical chemical properties via computer simulations. This work introduces refined FF parameters for six popular ionic liquids (ILs) of the pyridinium family (butylpyridinium tetrafluoroborate, bis(trifluoromethanesulfonyl)......Reliable force field (FF) is a central issue in successful prediction of physical chemical properties via computer simulations. This work introduces refined FF parameters for six popular ionic liquids (ILs) of the pyridinium family (butylpyridinium tetrafluoroborate, bis......(trifluoromethanesulfonyl)imide, dicyanamide, hexafluorophosphate, triflate, chloride). We elaborate a systematic procedure, which allows accounting for specific cationanion interactions in the liquid phase. Once these interactions are described accurately, all experimentally determined transport properties can be reproduced. We prove...... and elevated temperature. The developed atomistic models provide a systematic refinement upon the well-known Canongia LopesPadua (CL&P) FF. Together with the original CL&P parameters the present models foster a computational investigation of ionic liquids....

  17. Equation of state and transport properties of uranium and plutonium carbides in the liquid region

    International Nuclear Information System (INIS)

    Sheth, A.; Leibowitz, L.

    1975-09-01

    By the use of available low-temperature data for various thermophysical and transport properties for uranium and plutonium carbides, values above the melting point were estimated. Sets of recommended values have been prepared for the compounds UC, PuC, and (U,Pu)C. The properties that have been evaluated are density, heat capacity, enthalpy, vapor pressure, thermal conductivity, viscosity, and emissivity

  18. 12 CFR 560.110 - Most favored lender usury preemption.

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 5 2010-01-01 2010-01-01 false Most favored lender usury preemption. 560.110... INVESTMENT Lending and Investment Provisions Applicable to all Savings Associations § 560.110 Most favored... permits its most favored lender to charge late fees, then a savings association located in that state may...

  19. Electrical and thermal transport properties of uranium and plutonium carbides

    International Nuclear Information System (INIS)

    Lewis, H.D.; Kerrisk, J.F.

    1976-09-01

    Contributions of many authors are outlined with respect to the experimental measurement methods used and characteristics of the sample materials. Discussions treat the qualitative effects of sample material composition; oxygen, nitrogen, and nickel concentrations; porosity; microstructural variations; and the variability in transport property values obtained by the various investigators. Temperature-dependent values are suggested for the electrical resistivities and thermal conductivities of selected carbide compositions based on a comparative evaluation of the available data and the effects of variation in the characteristics of sample materials

  20. Estimates of the Demand for Freight Transport in the Nigerian Food ...

    African Journals Online (AJOL)

    ... tested on data gathered by means of a sample survey conducted to Nigerian enterprises belonging to the food industry. The empirical findings showed that, all else equal, public transport is favored over private transport and that the probability of selecting purchased transport increases with transport costs and travel time.

  1. Optical and transport properties of single crystal rubrene: A theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Lipeng [Division of Materials Science, Nanyang Technological University, Singapore 639798 (Singapore); Lu, Jing [Division of Materials Science, Nanyang Technological University, Singapore 639798 (Singapore); Faculty of Chemistry, Northeast Normal University, Changchun (China); Long, Guankui; Zheng, Fulu [Division of Materials Science, Nanyang Technological University, Singapore 639798 (Singapore); Zhang, Jingping [Faculty of Chemistry, Northeast Normal University, Changchun (China); Zhao, Yang, E-mail: YZhao@ntu.edu.sg [Division of Materials Science, Nanyang Technological University, Singapore 639798 (Singapore)

    2016-12-20

    Optical and charge transport properties of single crystal rubrene are investigated using the multi-mode Brownian oscillator (MBO) model, the charge hopping model with quantum nuclear tunneling, and the Munn–Silbey approach. The MBO model is adopted to calculate absorption and photoluminescence spectra, yielding results in excellent agreement with measurements. In addition, temperature dependence of zero phonon lines (ZPL) and phonon sidebands (PSBs) of absorption spectra is also examined using the MBO model, revealing a nearly linear dependence of line widths of the ZPL and the PSBs on temperature. Model parameters obtained from MBO fitting and TD-DFT computation are then utilized for hole mobility calculations. It is found that temperature dependence of the calculated mobility is in general agreement with measurements, exhibiting “band-like” transport behavior.

  2. Physical, Hydraulic, and Transport Properties of Sediments and Engineered Materials Associated with Hanford Immobilized Low-Activity Waste

    Energy Technology Data Exchange (ETDEWEB)

    Rockhold, Mark L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zhang, Z. F. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Meyer, Philip D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Thomle, Jonathan N. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2015-02-28

    Current plans for treatment and disposal of immobilized low-activity waste (ILAW) from Hanford’s underground waste storage tanks include vitrification and storage of the glass waste form in a nearsurface disposal facility. This Integrated Disposal Facility (IDF) is located in the 200 East Area of the Hanford Central Plateau. Performance assessment (PA) of the IDF requires numerical modeling of subsurface flow and reactive transport processes over very long periods (thousands of years). The models used to predict facility performance require parameters describing various physical, hydraulic, and transport properties. This report provides updated estimates of physical, hydraulic, and transport properties and parameters for both near- and far-field materials, intended for use in future IDF PA modeling efforts. Previous work on physical and hydraulic property characterization for earlier IDF PA analyses is reviewed and summarized. For near-field materials, portions of this document and parameter estimates are taken from an earlier data package. For far-field materials, a critical review is provided of methodologies used in previous data packages. Alternative methods are described and associated parameters are provided.

  3. Stacking dependence of carrier transport properties in multilayered black phosphorous

    Science.gov (United States)

    Sengupta, A.; Audiffred, M.; Heine, T.; Niehaus, T. A.

    2016-02-01

    We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with generalized gradient approximation (GGA) and the bandstructure, carrier effective masses and optical properties evaluated with the meta-generalized gradient approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium green’s function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gaps, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous.

  4. Getting Bicycles on Trains - Inter-modal Transport Developments in Denmark

    DEFF Research Database (Denmark)

    Jørgensen, Ulrik; Pedersen, Bjørn Brix

    2001-01-01

    The combined use of bicycles and trains has been favored in contemporary public transport policies in Denmark. Although bicycling has played a major role in Danish personal transportation in more than hundred years, the attitude from public transport authorities towards supporting bicyclists has ...... varied quite a lot....

  5. Spent fuels transportation coming from Australia

    International Nuclear Information System (INIS)

    2002-01-01

    Maritime transportation of spent fuels from Australia to France fits into the contract between COGEMA and ANSTO, signed in 1999. This document proposes nine information cards in this domain: HIFAR a key tool of the nuclear, scientific and technological australian program; a presentation of the ANSTO Australian Nuclear Science and Technology Organization; the HIFAR spent fuel management problem; the COGEMA expertise in favor of the research reactor spent fuel; the spent fuel reprocessing at La Hague; the transports management; the transport safety (2 cards); the regulatory framework of the transports. (A.L.B.)

  6. Electronic, Magnetic, and Transport Properties of Polyacrylonitrile-Based Carbon Nanofibers of Various Widths: Density-Functional Theory Calculations

    Science.gov (United States)

    Partovi-Azar, P.; Panahian Jand, S.; Kaghazchi, P.

    2018-01-01

    Edge termination of graphene nanoribbons is a key factor in determination of their physical and chemical properties. Here, we focus on nitrogen-terminated zigzag graphene nanoribbons resembling polyacrylonitrile-based carbon nanofibers (CNFs) which are widely studied in energy research. In particular, we investigate magnetic, electronic, and transport properties of these CNFs as functions of their widths using density-functional theory calculations together with the nonequilibrium Green's function method. We report on metallic behavior of all the CNFs considered in this study and demonstrate that the narrow CNFs show finite magnetic moments. The spin-polarized electronic states in these fibers exhibit similar spin configurations on both edges and result in spin-dependent transport channels in the narrow CNFs. We show that the partially filled nitrogen dangling-bond bands are mainly responsible for the ferromagnetic spin ordering in the narrow samples. However, the magnetic moment becomes vanishingly small in the case of wide CNFs where the dangling-bond bands fall below the Fermi level and graphenelike transport properties arising from the π orbitals are recovered. The magnetic properties of the CNFs as well as their stability have also been discussed in the presence of water molecules and the hexagonal boron nitride substrate.

  7. Equilibrium and Transport Properties of Primary, Secondary and Tertiary Amines by Molecular Simulation

    International Nuclear Information System (INIS)

    Orozco, Gustavo A.; Nieto-Draghi, Carlos; Lachet, Veronique; Mackie, Allan D.

    2014-01-01

    Using molecular simulation techniques such as Monte Carlo (MC) and molecular dynamics (MD), we present several simulation results of thermodynamic and transport properties for primary, secondary and tertiary amines. These calculations are based on a recently proposed force field for amines that follows the Anisotropic United Atom approach (AUA). Different amine molecules have been studied, including n-Butylamine, di-n-Butylamine, tri-n-Butylamine and 1,4-Butanediamine for primary, secondary, tertiary and multi-functional amines respectively. For the transport properties, we have calculated the viscosity coefficients as a function of temperature using the isothermal-isobaric (NPT) ensemble. In the case of the pure components, we have investigated different thermodynamic properties using NVT Gibbs ensemble simulations such as liquid-vapor phase equilibrium diagrams, vaporization enthalpies, vapor pressures, normal boiling points, critical temperatures and critical densities. We have also calculated the excess enthalpies for water-n-Butylamine and n-heptane-n-Butylamine mixtures using Monte Carlo simulations in the NPT ensemble. In addition, we present the calculation of liquid-vapor surface tensions of n-Butylamine using a two-phase NVT simulation as well as the radial distribution functions. Finally, we have investigated the physical Henry constants of nitrous oxide (N 2 O) and nitrogen (N 2 ) in an aqueous solutions of n-Butylamine. In general, we found a good agreement between the available experimental information and our simulation results for all the studied properties, ratifying the predictive capability of the AUA force field for amines. (authors)

  8. Transport properties of a piecewise linear transformation and deterministic Levy flights

    International Nuclear Information System (INIS)

    Miyaguchi, Tomoshige

    2006-01-01

    The transport properties of a 1-dimensional piecewise linear dynamical system are investigated through the spectrum of its Frobenius-Perron operator. For a class of initial densities, eigenvalues and eigenfunctions of the Frobenius-Perron operator are obtained explicitly. It is also found that in the long length wave limit, this system exhibits normal diffusion and super diffusion called Levy flight. The diffusion constant and stable index are derived from the eigenvalues. (author)

  9. Elastic and transport properties of topological semimetal ZrTe

    Science.gov (United States)

    Guo, San-Dong; Wang, Yue-Hua; Lu, Wan-Li

    2017-11-01

    Topological semimetals may have substantial applications in electronics, spintronics, and quantum computation. Recently, ZrTe was predicted as a new type of topological semimetal due to the coexistence of Weyl fermions and massless triply degenerate nodal points. In this work, the elastic and transport properties of ZrTe are investigated by combining the first-principles calculations and semiclassical Boltzmann transport theory. Calculated elastic constants prove the mechanical stability of ZrTe, and the bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio also are calculated. It is found that spin-orbit coupling (SOC) has slightly enhanced effects on the Seebeck coefficient, which along the a(b) and c directions for pristine ZrTe at 300 K is 46.26 μVK-1 and 80.20 μVK-1, respectively. By comparing the experimental electrical conductivity of ZrTe (300 K) with the calculated value, the scattering time is determined as 1.59 × 10-14 s. The predicted room-temperature electronic thermal conductivity along the a(b) and c directions is 2.37 {{Wm}}-1{{{K}}}-1 and 2.90 {{Wm}}-1{{{K}}}-1, respectively. The room-temperature lattice thermal conductivity is predicted as 17.56 {{Wm}}-1{{{K}}}-1 and 43.08 {{Wm}}-1{{{K}}}-1 along the a(b) and c directions, showing very strong anisotropy. Calculated results show that isotope scattering produces an observable effect on lattice thermal conductivity. To observably reduce lattice thermal conductivity by nanostructures, the characteristic length should be smaller than 70 nm, based on cumulative lattice thermal conductivity with respect to the phonon mean free path (MFP) at 300 K. It is noted that the average room-temperature lattice thermal conductivity of ZrTe is slightly higher than that of isostructural MoP, which is due to larger phonon lifetimes and smaller Grüneisen parameters. Finally, the total thermal conductivity as a function of temperature is predicted for pristine ZrTe. Our works provide valuable

  10. 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.)

  11. Transport properties of ultrathin black phosphorus on hexagonal boron nitride

    Energy Technology Data Exchange (ETDEWEB)

    Doganov, Rostislav A.; Özyilmaz, Barbaros [Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 6 Science Drive 2, 117546 Singapore (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore (Singapore); Graduate School for Integrative Sciences and Engineering (NGS), National University of Singapore, 28 Medical Drive, 117456 Singapore (Singapore); Koenig, Steven P.; Yeo, Yuting [Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 6 Science Drive 2, 117546 Singapore (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore (Singapore); Watanabe, Kenji; Taniguchi, Takashi [National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan)

    2015-02-23

    Ultrathin black phosphorus, or phosphorene, is a two-dimensional material that allows both high carrier mobility and large on/off ratios. Similar to other atomic crystals, like graphene or layered transition metal dichalcogenides, the transport behavior of few-layer black phosphorus is expected to be affected by the underlying substrate. The properties of black phosphorus have so far been studied on the widely utilized SiO{sub 2} substrate. Here, we characterize few-layer black phosphorus field effect transistors on hexagonal boron nitride—an atomically smooth and charge trap-free substrate. We measure the temperature dependence of the field effect mobility for both holes and electrons and explain the observed behavior in terms of charged impurity limited transport. We find that in-situ vacuum annealing at 400 K removes the p-doping of few-layer black phosphorus on both boron nitride and SiO{sub 2} substrates and reduces the hysteresis at room temperature.

  12. Size Effect on Transport Properties of Gaseous Argon: A Molecular Dynamics Simulation Study

    International Nuclear Information System (INIS)

    Lee, Songhi

    2014-01-01

    We have carried out a series of equilibrium molecular dynamics (EMD) simulations of gaseous argon at 273.15 K and 1.00 atm for the calculation of transport properties as a function of the number of argon molecules (N). While the diffusion coefficients (D) of gaseous argon approach to the experimental measure with increasing N, the viscosities (η) and thermal conductivities (λ) obtained for N = 432 are unreliable due to the high fluctuation of the time correlation functions and those for N = 1728 are rather acceptable. Increasing further to N = 6912 has improved the MD results a little closer to the experimental measures for η and λ. Both the EMD results for η and λ for N = 6912 underestimate the experimental measures and it is not expected that the more increasing N makes the closer results to the experimental measures. One possible explanation for the large disagreement between MD results and the experimental measures for η and λ may be due to the use of LJ parameters which were used for liquid argon. In a recent study, we have examined the Green-Kubo formula for the calculation of transport properties (diffusion coefficient, viscosity, and thermal conductivity) of noble gases (He, Ne, Ar, Kr, and Xe) by carrying out a series of equilibrium molecular dynamics (EMD) simulations for the system of N=1728 at 273.15 K and 1.00 atm.1 While the diffusion coefficients (D) of noble gases were obtained through the original Green-Kubo formula, the viscosities (η) and thermal conductivities (λ) were obtained by utilizing the revised Green-Kubo formulas. The structural and dynamic properties of gaseous argon are completely different from those of liquid argon at 94.4 K and 1.374 g/cm 3 . The results for transport properties (D, η, and λ) at 273.15 K and 1.00 atm obtained from our EMD simulations are in general agreement with the experimental data and superior to the rigorous results of the kinetic theory

  13. Electrolyte-gated transistors based on phenyl-C61-butyric acid methyl ester (PCBM) films: bridging redox properties, charge carrier transport and device performance.

    Science.gov (United States)

    Lan, Tian; Soavi, Francesca; Marcaccio, Massimo; Brunner, Pierre-Louis; Sayago, Jonathan; Santato, Clara

    2018-05-24

    The n-type organic semiconductor phenyl-C61-butyric acid methyl ester (PCBM), a soluble fullerene derivative well investigated for organic solar cells and transistors, can undergo several successive reversible, diffusion-controlled, one-electron reduction processes. We exploited such processes to shed light on the correlation between electron transfer properties, ionic and electronic transport as well as device performance in ionic liquid (IL)-gated transistors. Two ILs were considered, based on bis(trifluoromethylsulfonyl)imide [TFSI] as the anion and 1-ethyl-3-methylimidazolium [EMIM] or 1-butyl-1-methylpyrrolidinium [PYR14] as the cation. The aromatic structure of [EMIM] and its lower steric hindrance with respect to [PYR14] favor a 3D (bulk) electrochemical doping. As opposed to this, for [PYR14] the doping seems to be 2D (surface-confined). If the n-doping of the PCBM is pursued beyond the first electrochemical process, the transistor current vs. gate-source voltage plots in [PYR14][TFSI] feature a maximum that points to the presence of finite windows of high conductivity in IL-gated PCBM transistors.

  14. Modification of Local Urban Aerosol Properties by Long-Range Transport of Biomass Burning Aerosol

    Directory of Open Access Journals (Sweden)

    Iwona S. Stachlewska

    2018-03-01

    Full Text Available During August 2016, a quasi-stationary high-pressure system spreading over Central and North-Eastern Europe, caused weather conditions that allowed for 24/7 observations of aerosol optical properties by using a complex multi-wavelength PollyXT lidar system with Raman, polarization and water vapour capabilities, based at the European Aerosol Research Lidar Network (EARLINET network urban site in Warsaw, Poland. During 24–30 August 2016, the lidar-derived products (boundary layer height, aerosol optical depth, Ångström exponent, lidar ratio, depolarization ratio were analysed in terms of air mass transport (HYSPLIT model, aerosol load (CAMS data and type (NAAPS model and confronted with active and passive remote sensing at the ground level (PolandAOD, AERONET, WIOS-AQ networks and aboard satellites (SEVIRI, MODIS, CATS sensors. Optical properties for less than a day-old fresh biomass burning aerosol, advected into Warsaw’s boundary layer from over Ukraine, were compared with the properties of long-range transported 3–5 day-old aged biomass burning aerosol detected in the free troposphere over Warsaw. Analyses of temporal changes of aerosol properties within the boundary layer, revealed an increase of aerosol optical depth and Ångström exponent accompanied by an increase of surface PM10 and PM2.5. Intrusions of advected biomass burning particles into the urban boundary layer seem to affect not only the optical properties observed but also the top height of the boundary layer, by moderating its increase.

  15. Structural, electronic and transport properties of armorphous/crystalline silicon heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Schulze, Tim Ferdinand

    2011-06-15

    The present dissertation is concerned with the physical aspects of the a-Si:H/c-Si heterojunction in the context of PV research. In a first step, the technological development which took place in the framework of the thesis is summarized. Its main constituent was the development and implementation of ultrathin ({<=}10 nm) undoped a-Si:H[(i)a-Si:H] layers to improve the passivation of the c-Si surface with the goal of increasing the open-circuit voltage of the solar cell. It is shown that the effect of (i)a-Si:H interlayers depends on the c-Si substrate doping type, and that challenges exist particularly on the technologically more relevant (n)c-Si substrate. A precise optimization of (i)a-Si:H thickness and the doping level of the following a-Si:H top layers is required to realize an efficiency gain in the solar cell. In this chapter, the key scientific questions to be tackled in the main part of the thesis are brought up by the technological development. In the next chapter, the charge carrier transport through a-Si:H/c-Si heterojunctions is investigated making use of current-voltage (I/V) characteristics taken at different temperatures. The dominant transport mechanisms in a-Si:H/c-Si heterojunctions are identified, and the relevance for solar cell operation is discussed. It is found that in the bias regime relevant for solar cell operation, the theoretical framework for the description of carrier transport in classical c-Si solar cells applies as well, which enables to use I/V curves for a simple characterization of a-Si:H/c-Si structures. The next chapter deals with the microscopic characterization of ultrathin a-Si:H layers. Employing infrared spectroscopy, spectroscopic ellipsometry, photoelectron spectroscopy and secondary ion mass spectroscopy, the structural, electronic and optical properties of (i)a-Si:H are analyzed. It is found that ultrathin a-Si:H essentially behaves like layers of 10..100 times the thickness. This represents the basis for the

  16. Physical and Transport Property Variations Within Carbonate-Bearing Fault Zones: Insights From the Monte Maggio Fault (Central Italy)

    Science.gov (United States)

    Trippetta, F.; Carpenter, B. M.; Mollo, S.; Scuderi, M. M.; Scarlato, P.; Collettini, C.

    2017-11-01

    The physical characterization of carbonate-bearing normal faults is fundamental for resource development and seismic hazard. Here we report laboratory measurements of density, porosity, Vp, Vs, elastic moduli, and permeability for a range of effective confining pressures (0.1-100 MPa), conducted on samples representing different structural domains of a carbonate-bearing fault. We find a reduction in porosity from the fault breccia (11.7% total and 6.2% connected) to the main fault plane (9% total and 3.5% connected), with both domains showing higher porosity compared to the protolith (6.8% total and 1.1% connected). With increasing confining pressure, P wave velocity evolves from 4.5 to 5.9 km/s in the fault breccia, is constant at 5.9 km/s approaching the fault plane and is low (4.9 km/s) in clay-rich fault domains. We find that while the fault breccia shows pressure sensitive behavior (a reduction in permeability from 2 × 10-16 to 2 × 10-17 m2), the cemented cataclasite close to the fault plane is characterized by pressure-independent behavior (permeability 4 × 10-17 m2). Our results indicate that the deformation processes occurring within the different fault structural domains influence the physical and transport properties of the fault zone. In situ Vp profiles match well the laboratory measurements demonstrating that laboratory data are valuable for implications at larger scale. Combining the experimental values of elastic moduli and frictional properties it results that at shallow crustal levels, M ≤ 1 earthquakes are less favored, in agreement with earthquake-depth distribution during the L'Aquila 2009 seismic sequence that occurred on carbonates.

  17. Transport properties in a monolayer graphene modulated by the realistic magnetic field and the Schottky metal stripe

    Science.gov (United States)

    Lu, Jian-Duo; Li, Yun-Bao; Liu, Hong-Yu; Peng, Shun-Jin; Zhao, Fei-Xiang

    2016-09-01

    Based on the transfer-matrix method, a systematic investigation of electron transport properties is done in a monolayer graphene modulated by the realistic magnetic field and the Schottky metal stripe. The strong dependence of the electron transmission and the conductance on the incident angle of carriers is clearly seen. The height, position as well as width of the barrier also play an important role on the electron transport properties. These interesting results are very useful for understanding the tunneling mechanism in the monolayer graphene and helpful for designing the graphene-based electrical device modulated by the realistic magnetic field and the electrical barrier.

  18. Influence of short range ordering and clustering on transport properties

    International Nuclear Information System (INIS)

    Vigier, G.; Pelletier, J.M.

    1982-01-01

    The influence of short range ordering and clustering phenomena on the electrical resistivity p and the thermopower S is investigated both theoretically and experimentally. According to the considered alloys either increases or decreases of transport properties may be observed when deviations from a random distribution of solute atoms occur. These observations are explained with a model based on free electrons and Born approximations the importance of the potential choice is underlined; two kinds of description of the structure factor are investigated. A good semiquantitative agreement is obtained between computed results and experimental observations

  19. 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...

  20. Influence of intermartensitic transitions on transport properties of Ni$_{2.16}Mn_{0.84}$Ga alloy

    CERN Document Server

    Khovailo, V V; Wedel, C; Takagi, T; Abe, T; Sugiyama, K

    2004-01-01

    Magnetic, transport, and x-ray diffraction measurements of ferromagnetic shape memory alloy Ni$_{2.16}$Mn$_{0.84}$Ga revealed that this alloy undergoes an intermartensitic transition upon cooling, whereas no such a transition is observed upon subsequent heating. The difference in the modulation of the martensite forming upon cooling from the high-temperature austenitic state [5-layered (5M) martensite], and the martensite forming upon the intermartensitic transition [7-layered (7M) martensite] strongly affects the magnetic and transport properties of the alloy and results in a large thermal hysteresis of the resistivity $\\rho$ and magnetization $M$. The intermartensitic transition has an especially marked influence on the transport properties, as is evident from a large difference in the resistivity of the 5M and 7M martensite, $(\\rho_{\\mathrm{5M}} - \\rho_{\\mathrm{7M}})/\\rho _{\\mathrm{5M}} \\approx 15%$, which is larger than the jump of resistivity at the martensitic transition from the cubic austenitic phase ...

  1. Efficient calculation of dissipative quantum transport properties in semiconductor nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Greck, Peter

    2012-11-26

    We present a novel quantum transport method that follows the non-equilibrium Green's function (NEGF) framework but side steps any self-consistent calculation of lesser self-energies by replacing them by a quasi-equilibrium expression. We termed this method the multi-scattering Buettiker-Probe (MSB) method. It generalizes the so-called Buettiker-Probe model but takes into account all relevant individual scattering mechanisms. It is orders of magnitude more efficient than a fully selfconsistent non-equilibrium Green's function calculation for realistic devices, yet accurately reproduces the results of the latter method as well as experimental data. This method is fairly easy to implement and opens the path towards realistic three-dimensional quantum transport calculations. In this work, we review the fundamentals of the non-equilibrium Green's function formalism for quantum transport calculations. Then, we introduce our novel MSB method after briefly reviewing the original Buettiker-Probe model. Finally, we compare the results of the MSB method to NEGF calculations as well as to experimental data. In particular, we calculate quantum transport properties of quantum cascade lasers in the terahertz (THz) and the mid-infrared (MIR) spectral domain. With a device optimization algorithm based upon the MSB method, we propose a novel THz quantum cascade laser design. It uses a two-well period with alternating barrier heights and complete carrier thermalization for the majority of the carriers within each period. We predict THz laser operation for temperatures up to 250 K implying a new temperature record.

  2. The role of free carbon in the transport and magnetic properties of boron carbide

    International Nuclear Information System (INIS)

    Bandyopadhyay, A.K.; Beuneu, F.; Zuppiroli, L.; Beauvy, M.

    1984-01-01

    Boron carbide is a ceramic which has a wide field of application because of its mechanical and nuclear properties. This material is difficult to characterise due to the presence of different levels of disorder and inhomogeneities which are found in the usual available samples. The transport and magnetic properties of several samples of boron carbide have been measured from liquid helium to room temperature as a function of temperature and composition. We have attempted to attribute the different features of these properties to the different levels of disorder. The role of free carbon, in form of thin layers of graphite within the disordered semi-conducting matrix, was investigated in particular details, because it was either ignored or neglected by others. Free carbon is found to dominate the D.C. transport when its concentration is larger than 5%; while the principal features of the electron spin resonance (E.S.R.) line show a dominance of free carbon when the concentration is larger than 3.5%. Below these concentrations conductivities as well as spin relaxation rates do not depend very much on free carbon; neither these have been found to be correlated in a simple way to the stoichiometry. (author)

  3. Effect of spin reorientation on magnetocaloric and transport properties of NdAl{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Souza, M.V. de, E-mail: marcos_vinicios@hotmail.com [Núcleo de Pós-Graduação em Física, Campus Prof. José Aloísio de Campos, UFS, 49100-000 São Cristóvão, SE (Brazil); Silva, J.A. da [Núcleo de Pós-Graduação em Física, Campus Prof. José Aloísio de Campos, UFS, 49100-000 São Cristóvão, SE (Brazil); Silva, L.S. [Núcleo de Pós-Graduação em Física, Campus Prof. José Aloísio de Campos, UFS, 49100-000 São Cristóvão, SE (Brazil); Instituto Federal de Tocantins, IFTO – Campus Colinas do Tocantins, AV. Bernardo Sayao S/N, Chácara Raio de Sol, Setor Santa Maria, CEP 77760-000 Colinas do Tocantins, TO (Brazil)

    2017-01-01

    We report the magneto-thermal and resistive properties of rare-earth dialuminide NdAl{sub 2}, including spin reorientation transition. To this purpose, we used a theoretical model that considers the interactions of exchange and Zeeman, besides the anisotropy due to the electrical crystal field. The theoretical results obtained were compared to experimental data of the NdAl{sub 2} in single crystal and bulk forms. Explicitly, we have calculated the anisotropic variation of magnetic entropy with the magnetic field oriented along the three principal crystallographic directions: [100], [110], and [111] of NdAl{sub 2} single crystal, where a signature of the spin reorientation is observed in the [110] and [111] directions. Moreover, of magnetoresistivity we consider the applied magnetic field along the crystallographic directions [100] and [110]. In turn, for the polycrystalline form, the good agreement between theory and experiment confirms the presence of spin reorientation, which was predicted theoretically in magnetization curves. - Highlights: • Modeling of the thermodynamics quantities in NdAl{sub 2} single crystal and policrystal. • Modeling of the transport properties in NdAl{sub 2} single crystal. • Effect of reorientation of spin on caloric and transport properties.

  4. Confinement and transport properties during current ramps in the ASDEX Upgrade tokamak

    Science.gov (United States)

    Fable, E.; Angioni, C.; Hobirk, J.; Pereverzev, G.; Fietz, S.; Hein, T.; ASDEX Upgrade Team

    2011-04-01

    A detailed analysis of experimental data from the ASDEX Upgrade tokamak is carried out to shed light on the properties of confinement and transport in the current ramp-up and ramp-down phases of the plasma discharge. The experimental database is used to identify the relevant ranges of parameters explored during the ramp-up and the ramp-down. The energy confinement time observed in the two ramps displays interesting evolution, in many cases attaining different values at the same current level between ramp-up and ramp-down. The possible reasons for this behaviour are investigated. Interpretative transport simulations are used as a tool to clarify the interplay between different parameters, which are coupled in a non-linear way. In addition, a theory-based transport model is used to understand the behaviour of confinement as observed in the experiment, evidencing the role of both turbulent and neoclassical transport. Linear gyrokinetic calculations are performed to identify the relevant turbulence regime, showing that a broad range of frequencies, in the trapped electron modes (TEMs) and in the ion temperature gradient modes (ITGs) regimes, is explored during both the ramp-up and ramp-down. In the same framework, a quasi-linear model is applied to calculate the value of the local logarithmic density gradient and compare it with the experimental value. Finally, first non-linear simulations of heat transport during the current ramps are presented.

  5. Transport and Fatigue Properties of Ferroelectric Polymer P(VDF-TrFE) For Nonvolatile Memory Applications

    KAUST Repository

    Hanna, Amir

    2012-06-01

    Organic ferroelectrics polymers have recently received much interest for use in nonvolatile memory devices. The ferroelectric copolymer poly(vinylidene fluoride- trifluoroethylene) , P(VDF-TrFE), is a promising candidate due to its relatively high remnant polarization, low coercive field, fast switching times, easy processability, and low Curie transition. However, no detailed study of charge injection and current transport properties in P(VDF-TrFE) have been reported in the literature yet. Charge injection and transport are believed to affect various properties of ferroelectric films such as remnant polarization values and polarization fatigue behavior.. Thus, this thesis aims to study charge injection in P(VDF-TrFE) and its transport properties as a function of electrode material. Injection was studied for Al, Ag, Au and Pt electrodes. Higher work function metals such as Pt have shown less leakage current compared to lower work function metals such as Al for more than an order of magnitude. That implied n-type conduction behavior for P(VDF-TrFE), as well as electrons being the dominant injected carrier type. Charge transport was also studied as a function of temperature, and two major transport regimes were identified: 1) Thermionic emission over a Schottky barrier for low fields (E < 25 MV/m). 2) Space-Charge-Limited regime at higher fields (25 < E <120 MV/m). We have also studied the optical imprint phenomenon, the polarization fatigue resulting from a combination of broad band optical illumination and DC bias near the switching field. A setup was designed for the experiment, and validated by reproducing the reported effect in polycrystalline Pb(Zr,Ti)O3 , PZT, film. On the other hand, P(VDF-TrFE) film showed no polarization fatigue as a result of optical imprint test, which could be attributed to the large band gap of the material, and the low intensity of the UV portion of the arc lamp white light used for the experiment. Results suggest using high work

  6. Heterolytic dissociative adsorption state of dihydrogen favored by interfacial defects

    Science.gov (United States)

    Song, Zhenjun; Hu, Hanshi; Xu, Hu; Li, Yong; Cheng, Peng; Zhao, Bin

    2018-03-01

    The atomic-scale insight into dihydrogen on MgO(001) surface deposited on molybdenum substrate with interfacial defects was investigated in detail by employing density functional methods Here we report novel dissociative adsorption behaviors of single hydrogen molecule on the usually inert oxide surfaces, with consideration of two types of dissociation schemes. The heterolytic dissociation state -Mg(H)-O(H)- of dihydrogen is impossible to obtain on neighboring O-Mg sites of perfect bulk MgO(001) terraces. Unusually, the hydrogen molecule can form heterolytic fragmentation states on metal supported MgO(001) films with very low activation barrier (0.398 eV), and the heterolytic dissociation state is much more favorable than homolytic dissociation state both energetically and kinetically in all cases. Electronic properties and bonding attribution of adsorbates and the oxide-metal hybrid structure are revealed by analyzing density of states, differential charge densities, orbital interaction and electron localization function. The characteristic changes to the property and activity of magnesia (001) can have potential application in catalytic reactions.

  7. The phase diagram and transport properties of MgO from theory and experiment

    Science.gov (United States)

    Shulenburger, Luke

    2013-06-01

    Planetary structure and the formation of terrestrial planets have received tremendous interest due to the discovery of so called super-earth exoplanets. MgO is a major constituent of Earth's mantle, the rocky cores of gas giants and is a likely component of the interiors of many of these exoplanets. The high pressure - high temperature behavior of MgO directly affects equation of state models for planetary structure and formation. In this work, we examine MgO under extreme conditions using experimental and theoretical methods to determine its phase diagram and transport properties. Using plate impact experiments on Sandia's Z facility the solid-solid phase transition from B1 to B2 is clearly determined. The melting transition, on the other hand, is subtle, involving little to no signal in us-up space. Theoretical work utilizing density functional theory (DFT) provides a complementary picture of the phase diagram. The solid-solid phase transition is identified through a series of quasi-harmonic phonon calculations and thermodynamic integration, while the melt boundary is found using phase coexistence calculations. One issue of particular import is the calculation of reflectivity along the Hugoniot and the influence of the ionic structure on the transport properties. Particular care is necessary because of the underestimation of the band gap and attendant overestimation of transport properties due to the use of semi-local density functional theory. We will explore the impact of this theoretical challenge and its potential solutions in this talk. The integrated use of DFT simulations and high-accuracy shock experiments together provide a comprehensive understanding of MgO under extreme conditions. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  8. Empirical investigation of topological and weighted properties of a bus transport network from China

    Science.gov (United States)

    Shu-Min, Feng; Bao-Yu, Hu; Cen, Nie; Xiang-Hao, Shen; Yu-Sheng, Ci

    2016-03-01

    Many bus transport networks (BTNs) have evolved into directed networks. A new representation model for BTNs is proposed, called directed-space P. The bus transport network of Harbin (BTN-H) is described as a directed and weighted complex network by the proposed representation model and by giving each node weights. The topological and weighted properties are revealed in detail. In-degree and out-degree distributions, in-weight and out-weight distributions are presented as an exponential law, respectively. There is a strong relation between in-weight and in-degree (also between out-weight and out-degree), which can be fitted by a power function. Degree-degree and weight-weight correlations are investigated to reveal that BTN-H has a disassortative behavior as the nodes have relatively high degree (or weight). The disparity distributions of out-degree and in-degree follow an approximate power-law. Besides, the node degree shows a near linear increase with the number of routes that connect to the corresponding station. These properties revealed in this paper can help public transport planners to analyze the status quo of the BTN in nature. Project supported by the National High Technology Research and Development Program of China (Grant No. 2014AA110304).

  9. Calculation of the coherent transport properties of a symmetric spin nanocontact

    International Nuclear Information System (INIS)

    Bourahla, B.; Khater, A.; Tigrine, R.

    2009-01-01

    A theoretical study is presented for the coherent transport properties of a magnetic nanocontact. In particular, we study a symmetric nanocontact between two identical waveguides composed of semi-infinite spin ordered ferromagnetic chains. The coherent transmission and reflection scattering cross sections via the nanocontact, for spin waves incident from the bulk waveguide, are calculated with the use of the matching method. The inter-atomic magnetic exchange on the nanocontact is allowed to vary to investigate the consequences of magnetic softening and hardening for the calculated spectra. Transmission spectra underline the filtering properties of the nanocontact. The localized spin density of states in the nanocontact domain is also calculated, and analyzed. The results yield an understanding of the relationship between coherent conductance and the structural configuration of the nanocontact.

  10. On calculating phase shifts and performing fits to scattering cross sections or transport properties

    International Nuclear Information System (INIS)

    Hepburn, J.W.; Roy, R.J. Le

    1978-01-01

    Improved methods of calculating quantum mechanical phase shifts and for performing least-squares fits to scattering cross sections or transport properties, are described. Their use in a five-parameter fit to experimental differential cross sections reduces the computer time by a factor of 4-7. (Auth.)

  11. Experimental characterization of the water transport properties of PEM fuel cells diffusion media

    Science.gov (United States)

    Ramos-Alvarado, Bladimir; Sole, Joshua D.; Hernandez-Guerrero, Abel; Ellis, Michael W.

    2012-11-01

    A full experimental characterization of the liquid water transport properties of Toray TGP-090 paper is carried out in this work. Porosity, capillary pressure curves (capillary pressure-saturation relationships), absolute permeability, and relative permeability are obtained via experimental procedures. Porosity was determined using two methods, both aimed to obtain the solid volume of the network of fibers comprising the carbon paper. Capillary pressure curves were obtained using a gas displacement porosimeter where liquid water is injected using a syringe pump and the capillary pressure is recorded using a differential pressure transducer. Absolute and relative permeability were also measured with an apparatus designed at Virginia Tech. Absolute permeability was calculated at different flow rates using nitrogen. On the other hand, relative permeability was a more complicated task to carry out giving the complexity (two-phase flow condition) of this property. All of the water transport properties of Toray TGP-090 were studied under the effects of wet-proofing (PTFE treatment) and compression. Some observations were that wet-proofing reduces the porosity of the raw material, increases the hydrophobicity (Pc-S curves), and reduces the permeability of the material. Similar effects were observed for compression, where compressed material exhibited trends similar to those of wet-proofing effects. The results presented here will allow a more accurate modeling of PEMFCs, providing an experimentally verified alternative to the assumptions frequently employed.

  12. Transport properties and Raman spectra of impurity substituted MgB2

    International Nuclear Information System (INIS)

    Masui, T.

    2007-01-01

    Recent advances in the study of MgB 2 are reviewed, with focus on the transport properties and Raman scattering measurements for impurity substituted crystals. Carbon and Aluminium substitution change band filling, introduce intraband and interband scattering. These effects are seen in the temperature dependence of resistivity, Hall coefficients, and phonon peak of Raman spectra. Manganese substitution introduces magnetic scattering, that increases resistivity but gives little change in Raman spectra. The effect of disorder in neutron irradiated samples is also discussed

  13. Symmetry-Dependent Spin Transport Properties and Spin-Filter Effects in Zigzag-Edged Germanene Nanoribbons

    Directory of Open Access Journals (Sweden)

    Can Cao

    2015-01-01

    Full Text Available We performed the first-principles calculations to investigate the spin-dependent electronic transport properties of zigzag-edged germanium nanoribbons (ZGeNRs. We choose of ZGeNRs with odd and even widths of 5 and 6, and the symmetry-dependent transport properties have been found, although the σ mirror plane is absent in ZGeNRs. Furthermore, even-N and odd-N ZGeNRs have very different current-voltage relationships. We find that the even 6-ZGeNR shows a dual spin-filter effect in antiparallel (AP magnetism configuration, but the odd 5-ZGeNR behaves as conventional conductors with linear current-voltage dependence. It is found that when the two electrodes are in parallel configuration, the 6-ZGeNR system is in a low resistance state, while it can switch to a much higher resistance state when the electrodes are in AP configuration, and the magnetoresistance of 270% can be observed.

  14. Fluid and ionic transport properties of deformed salt rock

    International Nuclear Information System (INIS)

    Peach, C.J.; Spiers, C.J.; Tankink, A.J.; Zwart, H.J.

    1987-01-01

    This is a final report on work done on the transport properties of salt during the period 1 January 1984 to 30 June 1985. This work was directed largely at the measurement of creep-induced permeability in salt rock, at determining the permeability persistence/decay characteristics of creep-dilated salt rock under hydrostatic conditions, and at ion migration/retention experiments on both deformed and undeformed material. The permeability work was carried out using both gas (argon) and brine, and involved the design and construction of corresponding permeametry systems for use in conjunction with dilatometric triaxial testing apparatus. Ion migration/retention studies involved the use of contaminant species such as Sr 2+ , Cs + , Fe 3+ and TcO 4

  15. Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations

    Science.gov (United States)

    Eskandari Nasrabad, A.; Laghaei, R.

    2018-04-01

    Computer simulations and various theories are applied to compute the thermodynamic and transport properties of nitrogen fluid. To model the nitrogen interaction, an existing potential in the literature is modified to obtain a close agreement between the simulation results and experimental data for the orthobaric densities. We use the Generic van der Waals theory to calculate the mean free volume and apply the results within the modified Cohen-Turnbull relation to obtain the self-diffusion coefficient. Compared to experimental data, excellent results are obtained via computer simulations for the orthobaric densities, the vapor pressure, the equation of state, and the shear viscosity. We analyze the results of the theory and computer simulations for the various thermophysical properties.

  16. Anisotropic surface hole-transport property of triphenylamine-derivative single crystal prepared by solution method

    Energy Technology Data Exchange (ETDEWEB)

    Umeda, Minoru, E-mail: mumeda@vos.nagaokaut.ac.jp [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Katagiri, Mitsuhiko; Shironita, Sayoko [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Nagayama, Norio [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Ricoh Company, Ltd., Nishisawada, Numazu, Shizuoka 410-0007 (Japan)

    2016-12-01

    Highlights: • A hole transport molecule was investigated based on its electrochemical redox characteristics. • The solubility and supersolubility curves of the molecule were measured in order to prepare a large crystal. • The polarization micrograph and XRD results revealed that a single crystal was obtained. • An anisotropic surface conduction, in which the long-axis direction exceeds that of the amorphous layer, was observed. • The anisotropic surface conduction was well explained by the molecular stacked structure. - Abstract: This paper reports the anisotropic hole transport at the triphenylamine-derivative single crystal surface prepared by a solution method. Triphenylamine derivatives are commonly used in a hole-transport material for organic photoconductors of laser-beam printers, in which the materials are used as an amorphous form. For developing organic photovoltaics using the photoconductor’s technology, preparation of a single crystal seems to be a specific way by realizing the high mobility of an organic semiconductor. In this study, a single crystal of 4-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)-benzenamine (TPA) was prepared and its anisotropic hole-transport property measured. First, the hole-transport property of the TPA was investigated based on its chemical structure and electrochemical redox characteristics. Next, a large-scale single crystal formation at a high rate was developed by employing a solution method based on its solubility and supersolubility curves. The grown TPA was found to be a single crystal based on the polarization micrograph observation and crystallographic analysis. For the TPA single crystal, an anisotropic surface conduction was found, which was well explained by its molecular stack structure. The measured current in the long-axis direction is one order of magnitude greater than that of amorphous TPA.

  17. Polarization and charge-transfer effect on the transport properties in two-dimensional electron gases/LaNiO3 heterostructure

    Science.gov (United States)

    Chen, M. J.; Ning, X. K.; Wang, Z. J.; Liu, P.; Wang, S. F.; Wang, J. L.; Fu, G. S.; Ma, S.; Liu, W.; Zhang, Z. D.

    2018-01-01

    The film thickness dependent transport properties of the LaNiO3 (LNO) layer epitaxially grown on LaAlO3/SrTiO3 (LAO) 2-dimensional electronic gas (2DEG) have been investigated. The ultrathin LNO films grown on the 2DEG have a sheet resistance below the values of h/e2 in all temperature ranges. The electron density is enhanced by more than one order of magnitude by capping LNO films. X-ray photoelectron spectroscopy shows that the interface undergoes unambiguous charge transfer and electronic reconstruction, leading to modulation doping of such atomically engineered complex oxide heterointerfaces. The polar-catastrophe of the 2DEG is directly linked to the electronic structure and transport properties of the LNO. The transport properties can be well modulated by the thickness of the LAO in the 2DEG, and the data can be well fitted with the polar-catastrophe scenario. These results suggest a general approach to tunable functional films in oxide heterostructures with the 2DEG.

  18. Effects of interfacial Fe electronic structures on magnetic and electronic transport properties in oxide/NiFe/oxide heterostructures

    International Nuclear Information System (INIS)

    Liu, Qianqian; Chen, Xi; Zhang, Jing-Yan; Yang, Meiyin; Li, Xu-Jing; Jiang, Shao-Long; Liu, Yi-Wei; Cao, Yi; Wu, Zheng-Long; Feng, Chun; Ding, Lei; Yu, Guang-Hua

    2015-01-01

    Highlights: • The magnetic and transport properties of oxide/NiFe/oxide films were studied. • The oxide (SiO 2 , MgO and HfO 2 ) has different elemental electronegativity. • Redox reaction at different NiFe/oxide interface is dependent on the oxide layer. • Different interfacial electronic structures shown by XPS influence the properties. - Abstract: We report that the magnetic and electronic transport properties in oxide/NiFe(2 nm)/oxide film (oxide = SiO 2 , MgO or HfO 2 ) are strongly influenced by the electronic structure of NiFe/oxide interface. Magnetic measurements show that there exist magnetic dead layers in the SiO 2 sandwiched film and MgO sandwiched film, whereas there is no magnetic dead layer in the HfO 2 sandwiched film. Furthermore, in the ultrathin SiO 2 sandwiched film no magnetoresistance (MR) is detected, while in the ultrathin MgO sandwiched film and HfO 2 sandwiched film the MR ratios reach 0.35% and 0.88%, respectively. The investigation by X-ray photoelectron spectroscopy reveals that the distinct interfacial redox reactions, which are dependent on the oxide layers, lead to the variation of magnetic and transport properties in different oxide/NiFe/oxide heterostructures

  19. Blue emitting 1,8-naphthalimides with electron transport properties for organic light emitting diode applications

    Science.gov (United States)

    Ulla, Hidayath; Kiran, M. Raveendra; Garudachari, B.; Ahipa, T. N.; Tarafder, Kartick; Adhikari, Airody Vasudeva; Umesh, G.; Satyanarayan, M. N.

    2017-09-01

    In this article, the synthesis, characterization and use of two novel naphthalimides as electron-transporting emitter materials for organic light emitting diode (OLED) applications are reported. The molecules were obtained by substituting electron donating chloro-phenoxy group at the C-4 position. A detailed optical, thermal, electrochemical and related properties were systematically studied. Furthermore, theoretical calculations (DFT) were performed to get a better understanding of the electronic structures. The synthesized molecules were used as electron transporters and emitters in OLEDs with three different device configurations. The devices with the molecules showed blue emission with efficiencies of 1.89 cdA-1, 0.98 lmW-1, 0.71% at 100 cdm-2. The phosphorescent devices with naphthalimides as electron transport materials displayed better performance in comparison to the device without any electron transporting material and were analogous with the device using standard electron transporting material, Alq3. The results demonstrate that the naphthalimides could play a significant part in the progress of OLEDs.

  20. Thermal transport properties of niobium and some niobium-based alloys from 80 to 1600 K

    Energy Technology Data Exchange (ETDEWEB)

    Moore, J P; Graves, R S; Williams, R K [Oak Ridge National Lab., TN (USA)

    1980-01-01

    The electric resistivity, rho, and Seebeck coefficient, S, of 99.8 at% niobium, and Nb-4.8 at% W, Nb-5 at% Mo, Nb-10 at% Mo, and Nb-2.4 at% Mo-2.4 at% Zr alloys were measured from 80 to 1600 K, and the thermal conductivity, lambda, of the niobium and the Nb-5 at% W alloy was measured from 80 to 1300 K. A technique is described for measuring rho and S of a specimen during radial-heat-flow measurements of lambda. The transport property results, which had uncertainties of +-0.4% for rho and +-1.4% for lambda, showed the influence of tungsten and molybdenum solutes on the transport properties of niobium and were used to obtain the electronic Lorenz function of pure niobium, which was found to approach the Sommerfeld value at high temperatures.

  1. Evaluating the hydraulic and transport properties of peat soil using pore network modeling and X-ray micro computed tomography

    Science.gov (United States)

    Gharedaghloo, Behrad; Price, Jonathan S.; Rezanezhad, Fereidoun; Quinton, William L.

    2018-06-01

    Micro-scale properties of peat pore space and their influence on hydraulic and transport properties of peat soils have been given little attention so far. Characterizing the variation of these properties in a peat profile can increase our knowledge on the processes controlling contaminant transport through peatlands. As opposed to the common macro-scale (or bulk) representation of groundwater flow and transport processes, a pore network model (PNM) simulates flow and transport processes within individual pores. Here, a pore network modeling code capable of simulating advective and diffusive transport processes through a 3D unstructured pore network was developed; its predictive performance was evaluated by comparing its results to empirical values and to the results of computational fluid dynamics (CFD) simulations. This is the first time that peat pore networks have been extracted from X-ray micro-computed tomography (μCT) images of peat deposits and peat pore characteristics evaluated in a 3D approach. Water flow and solute transport were modeled in the unstructured pore networks mapped directly from μCT images. The modeling results were processed to determine the bulk properties of peat deposits. Results portray the commonly observed decrease in hydraulic conductivity with depth, which was attributed to the reduction of pore radius and increase in pore tortuosity. The increase in pore tortuosity with depth was associated with more decomposed peat soil and decreasing pore coordination number with depth, which extended the flow path of fluid particles. Results also revealed that hydraulic conductivity is isotropic locally, but becomes anisotropic after upscaling to core-scale; this suggests the anisotropy of peat hydraulic conductivity observed in core-scale and field-scale is due to the strong heterogeneity in the vertical dimension that is imposed by the layered structure of peat soils. Transport simulations revealed that for a given solute, the effective

  2. Research Update: Structural and transport properties of (Ca,La)FeAs{sub 2} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Caglieris, F.; Pallecchi, I.; Lamura, G.; Putti, M. [CNR-SPIN and Università di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Sala, A. [CNR-SPIN and Università di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8565 (Japan); Fujioka, M. [National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047 (Japan); Hokkaido University, Sapporo, Hokkaido 001-0020 (Japan); Hummel, F.; Johrendt, D. [Ludwig-Maximilians-Universität München, Department Chemie, Butenandtstr. 5-13, 81377 München (Germany); Takano, Y. [National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047 (Japan); Ishida, S.; Iyo, A.; Eisaki, H. [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8565 (Japan); Ogino, H.; Yakita, H. [Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); Shimoyama, J. [Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physics and Mathematics, Aoyama Gakuin University, 5-10-1 Fuchinobe, Chuo-ku, Sagamihara 252-5258 (Japan)

    2016-02-01

    Structural and transport properties in the normal and superconducting states are investigated in a Ca{sub 0.8}La{sub 0.2}FeAs{sub 2} single crystal with T{sub c} = 27 K, belonging to the newly discovered 112 family of iron based superconductors. The transport critical current density J{sub c} for both field directions measured in a focused ion beam patterned microbridge reveals a weakly field dependent and low anisotropic behaviour with a low temperature value as high as J{sub c}(B = 0) ∼ 10{sup 5} A/cm{sup 2}. This demonstrates not only bulk superconductivity but also the potential of 112 superconductors towards applications. Interestingly, this superconducting compound undergoes a structural transition below 100 K which is evidenced by temperature-dependent X-ray diffraction measurements. Data analysis of Hall resistance and magnetoresistivity indicate that magnetotransport properties are largely dominated by an electron band, with a change of regime observed in correspondence of the onset of a structural transition. In the low temperature regime, the contribution of a hole band to transport is suggested, possibly playing a role in determining the superconducting state.

  3. The local structure, magnetic, and transport properties of Cr-doped In2O3 films

    International Nuclear Information System (INIS)

    Wang Shiqi; An Yukai; Feng Deqiang; Liu Jiwen; Wu Zhonghua

    2013-01-01

    Cr-doped In 2 O 3 films were deposited on Si (100) substrates by RF-magnetron sputtering technique. The local structure, magnetic, and transport properties of films are investigated by X-ray diffraction, X-ray photoelectron spectroscopy, X-ray absorption fine structure, Hall effect, R-T, and magnetic measurements. Structural analysis clearly indicates that Cr ions substitute for In 3+ sites of the In 2 O 3 lattice in the valence of +2 states and Cr-related secondary phases or clusters as the source of ferromagnetism is safely ruled out. The films with low Cr concentration show a crossover from semiconducting to metallic transport behavior, whereas only semiconducting behavior is observed in high Cr concentration films. The transport property of all films is governed by Mott variable range hopping behavior, suggesting that the carriers are strongly localized. Magnetic characterizations show that the saturated magnetization of films increases first, and then decreases with Cr doping, while carrier concentration n c decreases monotonically, implying that the ferromagnetism is not directly induced by the mediated carriers. It can be concluded the ferromagnetism of films is intrinsic and originates from electrons bound in defect states associated with oxygen vacancies.

  4. Transport properties of dense matter

    International Nuclear Information System (INIS)

    Itoh, Naoki; Mitake, Shinichi; Iyetomi, Hiroshi; Ichimaru, Setsuo

    1983-01-01

    Transport coefficients, electrical and thermal conductivities in particular, are essential physical quantities for the theories of stellar structure. Since the discoveries of pulsars and X-ray stars, an accurate evaluation of the transport coefficients in the dense matter has become indispensable to the quantitative understanding of the observed neutron stars. The authors present improved calculations of the electrical and thermal conductivities of the dense matter in the liquid metal phase, appropriate to white dwarfs and neutron stars. (Auth.)

  5. Local charge transport properties of hydrazine reduced monolayer graphene oxide sheets prepared under pressure condition

    DEFF Research Database (Denmark)

    Ryuzaki, Sou; Meyer, Jakob Abild Stengaard; Petersen, Søren Vermehren

    2014-01-01

    Charge transport properties of chemically reduced graphene oxide (RGO) sheets prepared by treatment with hydrazine were examined using conductive atomic force microscopy. The current-voltage (I-V) characteristics of monolayer RGO sheets prepared under atmospheric pressure followed an exponentially...

  6. The shielding properties of the newly developed container for transport of samples contaminated with CBRN substances

    International Nuclear Information System (INIS)

    Fisera, O.; Kares, J.

    2014-01-01

    A container for transport of environmental samples to the analytical laboratory is being developed as part of the development of system for collection and transport of samples contaminated with chemical, biological, radioactive and nuclear (CBRN) substances after CBRN incidents. The proposed system corresponds with current requirements of NATO publication AEP-66. The proposed container will meet the requirements of mechanical stability and tightness for the packaging of the chemical, biological and radioactive substances. Verification of shielding properties and satisfaction of requirements of radiation protection during transport of potentially relatively high active samples was the aim of this part of research. The results, together with a wall thickness of the inner steel container, the inner lining and the outer transport package, give excellent assumption that the radiation protection requirements for the proposed container and transport package will be satisfied. (authors)

  7. Favorability for uranium in tertiary sedimentary rocks, southwestern Montana

    International Nuclear Information System (INIS)

    Wopat, M.A.; Curry, W.E.; Robins, J.W.; Marjaniemi, D.K.

    1977-10-01

    Tertiary sedimentary rocks in the basins of southwestern Montana were studied to determine their favorability for potential uranium resources. Uranium in the Tertiary sedimentary rocks was probably derived from the Boulder batholith and from silicic volcanic material. The batholith contains numerous uranium occurrences and is the most favorable plutonic source for uranium in the study area. Subjective favorability categories of good, moderate, and poor, based on the number and type of favorable criteria present, were used to classify the rock sequences studied. Rocks judged to have good favorability for uranium deposits are (1) Eocene and Oligocene strata and undifferentiated Tertiary rocks in the western Three Forks basin and (2) Oligocene rocks in the Helena basin. Rocks having moderate favorability consist of (1) Eocene and Oligocene strata in the Jefferson River, Beaverhead River, and lower Ruby River basins, (2) Oligocene rocks in the Townsend and Clarkston basins, (3) Miocene and Pliocene rocks in the Upper Ruby River basin, and (4) all Tertiary sedimentary formations in the eastern Three Forks basin, and in the Grasshopper Creek, Horse Prairie, Medicine Lodge Creek, Big Sheep Creek, Deer Lodge, Big Hole River, and Bull Creek basins. The following have poor favorability: (1) the Beaverhead Conglomerate in the Red Rock and Centennial basins, (2) Eocene and Oligocene rocks in the Upper Ruby River basin, (3) Miocene and Pliocene rocks in the Townsend, Clarkston, Smith River, and Divide Creek basins, (4) Miocene through Pleistocene rocks in the Jefferson River, Beaverhead River, and Lower Ruby River basins, and (5) all Tertiary sedimentary rocks in the Boulder River, Sage Creek, Muddy Creek, Madison River, Flint Creek, Gold Creek, and Bitterroot basins

  8. Local transport properties, morphology and microstructure of ZnO decorated SiO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Van Nostrand, Joseph E [Air Force Research Laboratory, Information Directorate, Rome, NY (United States); Cortez, Rebecca [Union College, Schenectady, NY (United States); Rice, Zachary P; Cady, Nathaniel C; Bergkvist, Magnus, E-mail: Joseph.VanNostrand@rl.af.mil [Albany College of Nanoscale Science and Engineering, Albany, NY (United States)

    2010-10-15

    We report on a novel, surfactant free method for achieving nanocrystalline ZnO decoration of an SiO{sub 2} nanoparticle at ambient temperature. The size distributions of the naked and decorated SiO{sub 2} nanoparticles are measured by means of dynamic light scattering, and a monodisperse distribution is observed for each. The morphology and microstructure of the nanoparticles are explored using atomic force microscopy and high resolution transmission electron microscopy. Investigation of the optical properties of the ZnO decorated SiO{sub 2} nanoparticles shows absorption at 350 nm. This blue shift in absorption as compared to bulk ZnO is shown to be consistent with quantum confinement effects due to the small size of the ZnO nanocrystals. Finally, the local electronic transport properties of the nanoparticles are explored by scanning conductance atomic force microscopy. A memristive hysteresis in the transport properties of the individual ZnO decorated SiO{sub 2} nanoparticles is observed. Optical absorption measurements suggest the presence of oxygen vacancies, whose migration and annihilation appear to contribute to the dynamic conduction properties of the ZnO decorated nanoparticles. We believe this to be the first demonstration of a ZnO decorated SiO{sub 2} nanoparticle, and this represents a simple yet powerful way of achieving the optical and electrical properties of ZnO in combination with the simplicity of SiO{sub 2} synthesis.

  9. Policies in favor of the bicycle development.; Politiques en faveur du developpement du velo. Bonnes pratiques de villes europeennes

    Energy Technology Data Exchange (ETDEWEB)

    Vallar, J.P.; Kerveillan, A.

    2001-07-01

    This study presents, ten cases of european towns which realized a policy in favor of the bicycle development. With the incitation to the displacement on foot and the public transportation, it is a good and efficient way of environmental quality. For each case, the following points are presented: global policy of the local government, technical aspects and organization, economic, environmental aspects and behavior, future orientations and contacts. (A.L.B.)

  10. Thermodynamic properties and transport coefficients of a two-temperature polytetrafluoroethylene vapor plasma for ablation-controlled discharge applications

    International Nuclear Information System (INIS)

    Wang, Haiyan; Qi, Haiyang; Wang, Weizong; Yan, Joseph D; Geng, Jinyue; Wu, Yaowu

    2017-01-01

    Ablation-controlled plasmas have been used in a range of technical applications where local thermodynamic equilibrium (LTE) is often violated near the wall due to the strong cooling effect caused by the ablation of wall materials. The thermodynamic and transport properties of ablated polytetrafluoroethylene (PTFE) vapor, which determine the flowing plasma behavior in such applications, are calculated based on a two-temperature model at atmospheric pressure. To our knowledge, no data for PTFE have been reported in the literature. The species composition and thermodynamic properties are numerically determined using the two-temperature Saha equation and the Guldberg–Waage equation according to van de Sanden et al ’s derivation. The transport coefficients, including viscosity, thermal conductivity and electrical conductivity, are calculated with the most recent collision interaction potentials using Devoto’s electron and heavy-particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) in the frame of the Chapman–Enskog method. Results are computed for different degrees of thermal non-equilibrium, i.e. the ratio of electron to heavy-particle temperatures, from 1 to 10, with electron temperature ranging from 300 to 40 000 K. Plasma transport properties in the LTE state obtained from the present work are compared with existing published results and the causes for the discrepancy analyzed. The two-temperature plasma properties calculated in the present work enable the modeling of wall ablation-controlled plasma processes. (paper)

  11. Thermodynamic properties and transport coefficients of a two-temperature polytetrafluoroethylene vapor plasma for ablation-controlled discharge applications

    Science.gov (United States)

    Wang, Haiyan; Wang, Weizong; Yan, Joseph D.; Qi, Haiyang; Geng, Jinyue; Wu, Yaowu

    2017-10-01

    Ablation-controlled plasmas have been used in a range of technical applications where local thermodynamic equilibrium (LTE) is often violated near the wall due to the strong cooling effect caused by the ablation of wall materials. The thermodynamic and transport properties of ablated polytetrafluoroethylene (PTFE) vapor, which determine the flowing plasma behavior in such applications, are calculated based on a two-temperature model at atmospheric pressure. To our knowledge, no data for PTFE have been reported in the literature. The species composition and thermodynamic properties are numerically determined using the two-temperature Saha equation and the Guldberg-Waage equation according to van de Sanden et al’s derivation. The transport coefficients, including viscosity, thermal conductivity and electrical conductivity, are calculated with the most recent collision interaction potentials using Devoto’s electron and heavy-particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) in the frame of the Chapman-Enskog method. Results are computed for different degrees of thermal non-equilibrium, i.e. the ratio of electron to heavy-particle temperatures, from 1 to 10, with electron temperature ranging from 300 to 40 000 K. Plasma transport properties in the LTE state obtained from the present work are compared with existing published results and the causes for the discrepancy analyzed. The two-temperature plasma properties calculated in the present work enable the modeling of wall ablation-controlled plasma processes.

  12. Transport properties of metal-metal and metal-insulator heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Fadlallah Elabd, Mohamed Mostafa

    2010-06-09

    In this study we present results of electronic structure and transport calculations for metallic and metal-insulator interfaces, based on density functional theory and the non-equilibrium Green's function method. Starting from the electronic structure of bulk Al, Cu, Ag, and Au interfaces, we study the effects of different kinds of interface roughness on the transmission coefficient (T(E)) and the I-V characteristic. In particular, we compare prototypical interface distortions, including vacancies, metallic impurities, non-metallic impurities, interlayer, and interface alloy. We find that vacancy sites have a huge effect on transmission coefficient. The transmission coefficient of non-metallic impurity systems has the same behaviour as the transmission coefficient of vacancy system, since these systems do not contribute to the electronic states at the Fermi energy. We have also studied the transport properties of Au-MgO-Au tunnel junctions. In particular, we have investigated the influence of the thickness of the MgO interlayer, the interface termination, the interface spacing, and O vacancies. Additional interface states appear in the O-terminated configuration due to the formation of Au-O bonds. An increasing interface spacing suppresses the Au-O bonding. Enhancement of T(E) depends on the position and density of the vacancies (the number of vacancies per unit cell). (orig.)

  13. Probabilistic finite-size transport models for fusion: Anomalous transport and scaling laws

    International Nuclear Information System (INIS)

    Milligen, B.Ph. van; Sanchez, R.; Carreras, B.A.

    2004-01-01

    Transport in fusion plasmas in the low confinement mode is characterized by several remarkable properties: the anomalous scaling of transport with system size, stiff (or 'canonical') profiles, power degradation, and rapid transport phenomena. The present article explores the possibilities of constructing a unified transport model, based on the continuous-time random walk, in which all these phenomena are handled adequately. The resulting formalism appears to be sufficiently general to provide a sound starting point for the development of a full-blown plasma transport code, capable of incorporating the relevant microscopic transport mechanisms, and allowing predictions of confinement properties

  14. Thermal transport properties of niobium and some niobium base alloys from 80 to 16000K

    International Nuclear Information System (INIS)

    Moore, J.P.; Graves, R.S.; Williams, R.K.

    1980-01-01

    The electrical resistivities and absolute Seebeck coefficients of 99.8 at. % niobium with a RRR of 36, Nb-4.8 at. % W, Nb-5 at. % Mo, Nb-10 at. % Mo, and Nb-2.4 at. % Mo-2.4 at. % Zr were measured from 80 to 1600 0 K, and the thermal conductivities of the niobium and Nb-5 at. % W were measured from 80 to 1300 0 K. A technique is described for measuring the electrical resistivity and Seebeck coefficient of a specimen during radial heat flow measurements of the thermal conductivity. The transport property results, which had uncertainties of +-0.4%for electrical resistivity and +-1.4% for thermal conductivity, showed the influence of tungsten and molybdenum solutes on the transport properties of niobium and were used to obtain the electronic Lorenz function of pure niobium, which was found to approach the Sommerfeld value at high temperatures

  15. properties of the SN - equivalent integral transport operator in slab geometry and the iterative acceleration of neutron transport methods

    International Nuclear Information System (INIS)

    Massimiliano, Rosa; Azmy, Y.Y.; Morel, J.E.

    2005-01-01

    The general expressions for the matrix elements of the discrete Sn-equivalent integral transport operator have been derived in slab geometry. Their asymptotic behavior has been investigated both for a homogeneous slab and for a heterogeneous slab characterized by a periodic material discontinuity wherein each optically thick cell is surrounded by two optically thin cells in a repeating pattern. In the case of a homogeneous slab, the asymptotic analysis conducted in a diffusive limit obtained as the thick limit of computational cell size for a highly scattering medium, has shown that the discretized integral transport operator is approximated by a sparse matrix characterized by a tri-diagonal diffusion-like coupling stencil. Also, the tri-diagonal matrix structure, characteristic of the diffusion coupling stencil, is approached at a fast exponential rate. In the case of periodically heterogeneous slab configurations, the asymptotic behavior investigated is that in which the cells' optical thicknesses are pushed apart, i.e. the thick is made thicker while the thin is made thinner at a prescribed rate. It has been shown that in this limit the discretized integral transport operator is approximated by a penta-diagonal structure. Notwithstanding, the discrete operator is amenable to algebraic transformations leading to a matrix representation still asymptotically approaching a tri-diagonal structure at a fast exponential rate. The existence of a low order tri-diagonal approximation to the full discrete integral transport operator in the case of a periodically heterogeneous slab might provide a basic understanding of the superior convergence properties of diffusion-based acceleration schemes observed in slab geometry, even in the presence of sharp material discontinuities. The obtained results also suggest that a sparse approximation to the S n -equivalent integral transport operator might itself be used as the low-order operator in an acceleration scheme for the

  16. Laser patterning: A new approach to measure local magneto-transport properties in multifilamentary superconducting tapes

    International Nuclear Information System (INIS)

    Sanchez Valdes, C.F.; Perez-Penichet, C.; Noda, C.; Arronte, M.; Batista-Leyva, A.J.; Haugen, O.; Johansen, T.H.; Han, Z.; Altshuler, E.

    2007-01-01

    The determination of inter- and intra-filament characteristics in superconducting composites such as BSCCO-Ag tapes is of great importance for material evaluation towards applications. Most attempts to separate the two contributions have relied on indirect methods based on magnetic measurements such as SQUID or magneto-optic imaging techniques. Here we show that laser patterning of superconducting BSCCO-Ag tapes constitutes a simple approach to measure local transport properties in a direct way, even able to separate inter- and intra-filament contributions to the overall transport behavior of the sample

  17. Defect chemistry of ''BaCuO2''. Pt. 2. Transport properties and nature of defects

    International Nuclear Information System (INIS)

    Chiodelli, G.; Consiglio Nazionale delle Ricerche, Pavia; Anselmi-Tamburini, U.; Consiglio Nazionale delle Ricerche, Pavia; Arimondi, M.; Consiglio Nazionale delle Ricerche, Pavia; Spinolo, G.; Consiglio Nazionale delle Ricerche, Pavia; Flor, G.; Consiglio Nazionale delle Ricerche, Pavia

    1995-01-01

    The charge transport properties of ''BaCuO 2 '' with 88:90 (Ba:Cu) cation ratio were characterized by thermopower, electrical conductivity and ionic transport number measurements in a wide range of temperature and oxygen partial pressure conditions. The nature of carriers is always represented by small polarons due to self-trapping of the electronic holes generated by the oxygen non-stoichiometry equilibrium. Some anomalies in carrier mobility as a function of temperature are shown not to be related to incomplete ionization of oxygen atoms on interstitial sites (orig.)

  18. Transport properties of damaged materials. Cementitious barriers partnership

    Energy Technology Data Exchange (ETDEWEB)

    Langton, C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2014-11-01

    The objective of the Cementitious Barriers Partnership (CBP) project is to develop tools to improve understanding and prediction of the long-term structural, hydraulic, and chemical performance of cementitious barriers used in low-level waste storage applications. One key concern for the long-term durability of concrete is the degradation of the cementitious matrix, which occurs as a result of aggressive chemical species entering the material or leaching out in the environment, depending on the exposure conditions. The objective of the experimental study described in this report is to provide experimental data relating damage in cementitious materials to changes in transport properties, which can eventually be used to support predictive model development. In order to get results within a reasonable timeframe and to induce as much as possible uniform damage level in materials, concrete samples were exposed to freezing and thawing (F/T) cycles. The methodology consisted in exposing samples to F/T cycles and monitoring damage level with ultrasonic pulse velocity measurements. Upon reaching pre-selected damage levels, samples were tested to evaluate changes in transport properties. Material selection for the study was motivated by the need to get results rapidly, in order to assess the relevance of the methodology. Consequently, samples already available at SIMCO from past studies were used. They consisted in three different concrete mixtures cured for five years in wet conditions. The mixtures had water-to-cement ratios of 0.5, 0.65 and 0.75 and were prepared with ASTM Type I cement only. The results showed that porosity is not a good indicator for damage caused by the formation of microcracks. Some materials exhibited little variations in porosity even for high damage levels. On the other hand, significant variations in tortuosity were measured in all materials. This implies that damage caused by internal pressure does not necessarily create additional pore space in

  19. Transport properties of damaged materials. Cementitious barriers partnership

    International Nuclear Information System (INIS)

    Langton, C.

    2014-01-01

    The objective of the Cementitious Barriers Partnership (CBP) project is to develop tools to improve understanding and prediction of the long-term structural, hydraulic, and chemical performance of cementitious barriers used in low-level waste storage applications. One key concern for the long-term durability of concrete is the degradation of the cementitious matrix, which occurs as a result of aggressive chemical species entering the material or leaching out in the environment, depending on the exposure conditions. The objective of the experimental study described in this report is to provide experimental data relating damage in cementitious materials to changes in transport properties, which can eventually be used to support predictive model development. In order to get results within a reasonable timeframe and to induce as much as possible uniform damage level in materials, concrete samples were exposed to freezing and thawing (F/T) cycles. The methodology consisted in exposing samples to F/T cycles and monitoring damage level with ultrasonic pulse velocity measurements. Upon reaching pre-selected damage levels, samples were tested to evaluate changes in transport properties. Material selection for the study was motivated by the need to get results rapidly, in order to assess the relevance of the methodology. Consequently, samples already available at SIMCO from past studies were used. They consisted in three different concrete mixtures cured for five years in wet conditions. The mixtures had water-to-cement ratios of 0.5, 0.65 and 0.75 and were prepared with ASTM Type I cement only. The results showed that porosity is not a good indicator for damage caused by the formation of microcracks. Some materials exhibited little variations in porosity even for high damage levels. On the other hand, significant variations in tortuosity were measured in all materials. This implies that damage caused by internal pressure does not necessarily create additional pore space in

  20. Interpreting equilibrium-conductivity and conductivity-relaxation measurements to establish thermodynamic and transport properties for multiple charged defect conducting ceramics.

    Science.gov (United States)

    Zhu, Huayang; Ricote, Sandrine; Coors, W Grover; Kee, Robert J

    2015-01-01

    A model-based interpretation of measured equilibrium conductivity and conductivity relaxation is developed to establish thermodynamic, transport, and kinetics parameters for multiple charged defect conducting (MCDC) ceramic materials. The present study focuses on 10% yttrium-doped barium zirconate (BZY10). In principle, using the Nernst-Einstein relationship, equilibrium conductivity measurements are sufficient to establish thermodynamic and transport properties. However, in practice it is difficult to establish unique sets of properties using equilibrium conductivity alone. Combining equilibrium and conductivity-relaxation measurements serves to significantly improve the quantitative fidelity of the derived material properties. The models are developed using a Nernst-Planck-Poisson (NPP) formulation, which enables the quantitative representation of conductivity relaxations caused by very large changes in oxygen partial pressure.

  1. A whole range hygric material model: Modelling liquid and vapour transport properties in porous media

    DEFF Research Database (Denmark)

    Scheffler, Gregor Albrecht; Plagge, Rudolf

    2010-01-01

    This paper addresses the modelling of hygric material coefficients bridging the gap between measured material properties and the non-linear storage and transport coefficients in the transfer equation. The conductivity approach and a bundle of tubes model are the basis. By extending this model wit...

  2. 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.

  3. 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)

  4. Current Transport Properties of Monolayer Graphene/n-Si Schottky Diodes

    Science.gov (United States)

    Pathak, C. S.; Garg, Manjari; Singh, J. P.; Singh, R.

    2018-05-01

    The present work reports on the fabrication and the detailed macroscopic and nanoscale electrical characteristics of monolayer graphene/n-Si Schottky diodes. The temperature dependent electrical transport properties of monolayer graphene/n-Si Schottky diodes were investigated. Nanoscale electrical characterizations were carried out using Kelvin probe force microscopy and conducting atomic force microscopy. Most the values of ideality factor and barrier height are found to be in the range of 2.0–4.4 and 0.50–0.70 eV for monolayer graphene/n-Si nanoscale Schottky contacts. The tunneling of electrons is found to be responsible for the high value of ideality factor for nanoscale Schottky contacts.

  5. Interrelationship between structural, optical and transport properties of InP.sub.1-x./sub.Bi.sub.x./sub.: DFT approach

    Czech Academy of Sciences Publication Activity Database

    Khan, S.A.; Azam, S.; Šipr, Ondřej

    2016-01-01

    Roč. 41, Jan (2016), 45-53 ISSN 1369-8001 Institutional support: RVO:68378271 Keywords : electronic structure * optical properties * transport properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.359, year: 2016

  6. A Review of Hydrothermal Liquefaction Bio-Crude Properties and Prospects for Upgrading to Transportation Fuels

    Directory of Open Access Journals (Sweden)

    Jerome A. Ramirez

    2015-07-01

    Full Text Available Hydrothermal liquefaction (HTL presents a viable route for converting a vast range of materials into liquid fuel, without the need for pre-drying. Currently, HTL studies produce bio-crude with properties that fall short of diesel or biodiesel standards. Upgrading bio-crude improves the physical and chemical properties to produce a fuel corresponding to diesel or biodiesel. Properties such as viscosity, density, heating value, oxygen, nitrogen and sulphur content, and chemical composition can be modified towards meeting fuel standards using strategies such as solvent extraction, distillation, hydrodeoxygenation and catalytic cracking. This article presents a review of the upgrading technologies available, and how they might be used to make HTL bio-crude into a transportation fuel that meets current fuel property standards.

  7. Electronic structure and transport properties of Ba2Cd2Pn3 (Pn = As and Sb): An efficient materials for energy conversion

    International Nuclear Information System (INIS)

    Reshak, A.H.

    2016-01-01

    The full potential method within the recently modified Becke-Johnson potential explore that the Ba 2 Cd 2 Pn 3 (Pn = As and Sb) compounds are narrow band gap semiconductors of about 0.49 and 0.32 eV, which confute the finding of the previous TB-LMTO-ASA calculation that Ba 2 Cd 2 Sb 3 is a poor metal. It has been found that there are subtle difference in band desperations of the two compounds, resulting in significant influence on the electronic and transport properties, taking into account the size and the electro-negativity differences between As and Sb atoms. Calculation show that there exists a strong hybridization between the orbitals which may lead to form covalent bonding which is more favorable for the transport of the carriers than ionic one. The electronic structure, the anisotropy and the inter-atomic interactions are further analyzed by calculating the valence electronic charge density distribution in two crystallographic planes. The semi-classical Boltzmann theory as incorporated in BoltzTraP code was used to calculate the transport properties of Ba 2 Cd 2 As 3 and Ba 2 Cd 2 Sb 3 at different temperatures and chemical potentials to ascertain the influence of temperatures and substituting As by Sb on the transport properties. The carries mobility decreases with increasing the temperature also with increasing the carriers concentration. We have observed that substituting As by Sb lead to increase the carries mobility of Ba 2 Cd 2 Sb 3 along the whole temperature interval and the carries concentration range. It has been found that Ba 2 Cd 2 As 3 exhibit higher carriers concentration, electronic electrical conductivity and Seebeck coefficient than that of Ba 2 Cd 2 Sb 3 along the investigated temperature range. The highest value of Seebeck coefficient occurs at 300 K, which show good agreement with the experimental data. The power factor increases linearly with increasing the temperature and Ba 2 Cd 2 As 3 exhibit a bit higher power factor than that of Ba

  8. Transport properties of liquids

    International Nuclear Information System (INIS)

    Rajagopal, K.

    1976-07-01

    The transport coefficients, self diffusivity, dinamical viscosity,total viscosity (i.e., the first and second viscosity coefficient) and thermal conductivity, are calculated at several temperatures and saturation pressures for the Argon, Krypton and Xenon liquids, from the Mie otential and the hard sphere theory. (L.C.) [pt

  9. Magnetic and transport properties of PrRu.sub.2./sub.Si.sub.2./sub. single crystal under high pressure

    Czech Academy of Sciences Publication Activity Database

    Vejpravová, J.; Kamarád, Jiří; Prchal, J.; Sechovsky, V.

    2007-01-01

    Roč. 76, suppl. A (2007), s. 49-50 ISSN 0031-9015 Institutional research plan: CEZ:AV0Z10100521 Keywords : pressure effect * magnetic properties * transport properties * single crystal Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.212, year: 2007

  10. Improvement of thermoelectric properties induced by uniquely ordered lattice field in Bi2Se0.5Te2.5 pillar array

    International Nuclear Information System (INIS)

    Tan, Ming; Hao, Yanming; Wang, Gangzhi

    2014-01-01

    In this study, it was found that uniquely ordered lattice field favors transport of carriers but hinder that of phonons. The n-Bi 2 Se 0.5 Te 2.5 pillar array film was successfully achieved by a simple ion beam assisted deposition technique. This oriented pillar array structure is clear with pillar diameter of about 30 nm, exhibiting a uniquely ordered lattice field. The properties of the ordered Bi 2 Se 0.5 Te 2.5 pillar array were greatly enhanced in comparison with those of the ordinary film. The Bi 2 Se 0.5 Te 2.5 pillar array with a thermoelectric dimensionless figure-of-merit ZT=1.28 was obtained at room temperature. The in-plane transport mechanisms of the ordered pillar array and the ordinary structures, lattice field model, are proposed and investigated. The specially ordered lattice field is the main reason for the properties enhancement observed in the Bi 2 Se 0.5 Te 2.5 film. Introduction of such ordered lattice field into TE films is therefore a very promising approach. - Graphical abstract: In this study, it was found that uniquely ordered lattice field favors transport of carriers but hinder that of phonons. The Bi 2 Se 0.5 Te 2.5 pillar array film with a thermoelectric dimensionless figure-of-merit ZT=1.28 was obtained at room temperature. The in-plane transport mechanisms of the ordered pillar array and the ordinary structures, the lattice field model, are proposed and investigated. The specially ordered lattice field is the main reason for the properties enhancement observed in the Bi 2 Se 0.5 Te 2.5 pillar array. Introduction of such uniquely ordered lattice field into TE films is therefore a very promising approach. In (a) TEM and (b) HRTEM images of the ordered Bi 2 Se 0.5 Te 2.5 column array. - Highlights: • Uniquely ordered Bi 2 Se 0.5 Te 2.5 pillar array was achieved by an IBAD method. • The pillar array with an ordered lattice field exhibits attractive TE property. • The transport mechanism of such ordered pillar array is proposed and

  11. Investigation of magnetic and magneto-transport properties of ferromagnetic-charge ordered core-shell nanostructures

    Science.gov (United States)

    Das, Kalipada

    2017-10-01

    In our present study, we address in detail the magnetic and magneto-transport properties of ferromagnetic-charge ordered core-shell nanostructures. In these core-shell nanostructures, well-known half metallic La0.67Sr0.33MnO3 nanoparticles (average particle size, ˜20 nm) are wrapped by the charge ordered antiferromagnetic Pr0.67Ca0.33MnO3 (PCMO) matrix. The intrinsic properties of PCMO markedly modify it into such a core-shell form. The robustness of the PCMO matrix becomes fragile and melts at an external magnetic field (H) of ˜20 kOe. The analysis of magneto-transport data indicates the systematic reduction of the electron-electron and electron-magnon interactions in the presence of an external magnetic field in these nanostructures. The pronounced training effect appears in this phase separated compound, which was analyzed by considering the second order tunneling through the grain boundaries of the nanostructures. Additionally, the analysis of low field magnetoconductance data supports the second order tunneling and shows the close value of the universal limit (˜1.33).

  12. Transport properties of hydrogen passivated silicon nanotubes and silicon nanotube field effect transistors

    KAUST Repository

    Montes Muñoz, Enrique

    2017-01-24

    We investigate the electronic transport properties of silicon nanotubes attached to metallic electrodes from first principles, using density functional theory and the non-equilibrium Green\\'s function method. The influence of the surface termination is studied as well as the dependence of the transport characteristics on the chirality, diameter, and length. Strong electronic coupling between nanotubes and electrodes is found to be a general feature that results in low contact resistance. The conductance in the tunneling regime is discussed in terms of the complex band structure. Silicon nanotube field effect transistors are simulated by applying a uniform potential gate. Our results demonstrate very high values of transconductance, outperforming the best commercial silicon field effect transistors, combined with low values of sub-threshold swing.

  13. Solution processable semiconductor thin films: Correlation between morphological, structural, optical and charge transport properties

    Science.gov (United States)

    Isik, Dilek

    This Ph.D. thesis is a result of multidisciplinary research bringing together fundamental concepts in thin film engineering, materials science, materials processing and characterization, electrochemistry, microfabrication, and device physics. Experiments were conducted by tackling scientific problems in the field of thin films and interfaces, with the aim to correlate the morphology, crystalline structure, electronic structure of thin films with the functional properties of the films and the performances of electronic devices based thereon. Furthermore, novel strategies based on interfacial phenomena at electrolyte/thin film interfaces were explored and exploited to control the electrical conductivity of the thin films. Three main chemical systems were the object of the studies performed during this Ph.D., two types of organic semiconductors (azomethine-based oligomers and polymers and soluble pentacene derivatives) and one metal oxide semiconductor (tungsten trioxide, WO3). To explore the morphological properties of the thin films, atomic force microscopy was employed. The morphological properties were further investigated by hyperspectral fluorescence microscopy and tentatively correlated to the charge transport properties of the films. X-ray diffraction (Grazing incidence XRD, GIXRD) was used to investigate the crystallinity of the film and the effect of the heat treatment on such crystallinity, as well as to understand the molecular arrangement of the organic molecules in the thin film. The charge transport properties of the films were evaluated in thin film transistor configuration. For electrolyte gated thin film transistors, time dependent transient measurements were conducted, in parallel to more conventional transistor characterizations, to explore the specific effects played on the gating by the anion and cation constituting the electrolyte. The capacitances of the electrical double layers at the electrolyte/WO3 interface were obtained from

  14. Anisotropic transport in the quasi-one-dimensional semiconductor Li{sub 0.33}MoO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Moshfeghyeganeh, S.; Cote, A. N.; Cohn, J. L., E-mail: cohn@physics.miami.edu [Department of Physics, University of Miami, Coral Gables, Florida 33124 (United States); Neumeier, J. J. [Department of Physics, Montana State University, Bozeman, Montana 59717 (United States)

    2016-03-07

    Transport measurements (electrical resistivity, Seebeck coefficient, and thermal conductivity) in the temperature range 80–500 K are presented for single crystals of the quasi-one-dimensional (Q1D) semiconductor Li{sub 0.33}MoO{sub 3}. Opposite signs are observed for the Seebeck coefficient along the trinclinic a and c axes, with S{sub c} − S{sub a} ≃ 250 μV/K near room temperature and ≃100 μV/K at 380 K. The thermal conductivity at room temperature in the a-c planes was ∼2 W/m K and ∼10 times smaller along b*. A weak structural anomaly at T{sub s} ≈ 355 K, identified in the temperature-dependent lattice constants, coincides with anomalies in the electrical properties. Analysis of the electronic transport at T > T{sub s} favors an intrinsic semiconductor picture for transport along the most conducting Q1D axis and small-polaronic transport along the other directions, providing insight into the origin of the Seebeck anisotropy.

  15. Evaluation of transport properties of nanofiltration membranes exposed to radioactive liquid waste

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Elizabeth E.M.; Barbosa, Celina C.R.; Bastos, Edna T.R., E-mail: eemo@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeira, RJ (Brazil); Afonso, Julio C., E-mail: Julio@iq.ufrj.br [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Inst. de Quimica. Dept. de Quimica Analitica

    2011-07-01

    The application of membrane separation processes (PSM) for treatment of radioactive waste requires the selection of a suitable membrane for the treatment of waste, as the membrane will be directly exposed to the radioactive liquid waste, and also exposed to ionizing radiation. The nanofiltration membrane is most suitable for treatment of radioactive waste, since it has high rejection of multivalent ions. Usually the membranes are made of polymers and depending on the composition of the waste, type and dose of radiation absorbed may be changes in the structure of the membrane, resulting in loss of its transport properties. We tested two commercial nanofiltration membranes: NF and SW Dow/Filmtec. The waste liquid used was obtained in the process of conversion of uranium hexafluoride gas to solid uranium dioxide, known as 'carbonated water'. The membranes were characterized as their transport properties (hydraulic permeability, permeate flux and salt rejection) before and after their immersion in the waste for 24 hours. The surface of the membranes was also evaluated by SEM and FTIR. It was observed that in both the porosity of the membrane selective layer was altered, but not the membrane surface charge, which is responsible for the selectivity of the membrane. The NF membranes and SW showed uranium ion rejection of 64% and 55% respectively. (author)

  16. Synthesis and Gas Transport Properties of Hyperbranched Polyimide–Silica Hybrid/Composite Membranes

    Directory of Open Access Journals (Sweden)

    Masako Miki

    2013-12-01

    Full Text Available Hyperbranched polyimide–silica hybrids (HBPI–silica HBDs and hyperbranched polyimide–silica composites (HBPI–silica CPTs were prepared, and their general and gas transport properties were investigated to clarify the effect of silica sources and preparation methods. HBPI–silica HBDs and HBPI–silica CPTs were synthesized by two-step polymerization of A2 + B3 monomer system via polyamic acid as precursor, followed by hybridizing or blending silica sources. Silica components were incorporated by the sol-gel reaction with tetramethoxysilane (TMOS or the addition of colloidal silica. In HBPI-silica HBDs, the aggregation of silica components is controlled because of the high affinity of HBPI and silica caused by the formation of covalent bonds between HBPI and silica. Consequently, HBPI-silica HBDs had good film formability, transparency, and mechanical properties compared with HBPI-silica CPTs. HBPI-silica HBD and CPT membranes prepared via the sol-gel reaction with TMOS showed specific gas permeabilities and permselectivities for CO2/CH4 separation, that is, both CO2 permeability and CO2/CH4 selectivity increased with increasing silica content. This result suggests that gas transport can occur through a molecular sieving effect of the porous silica network derived from the sol-gel reaction and/or through the narrow interfacial region between the silica networks and the organic matrix.

  17. Bronchial Mucus as a Complex Fluid: Molecular Interactions and Influence of Nanostructured Particles on Rheological and Transport Properties

    Directory of Open Access Journals (Sweden)

    Odziomek Marcin

    2017-06-01

    Full Text Available Transport properties of bronchial mucus are investigated by two-stage experimental approach focused on: (a rheological properties and (b mass transfer rate through the stagnant layer of solutions of mucus components (mucine, DNA, proteins and simulated multi-component mucus. Studies were done using thermostated horizontal diffusion cells with sodium cromoglycate and carminic acid as transferred solutes. Rheological properties of tested liquids was studied by a rotational viscometer and a cone-plate rheometer (dynamic method. First part of the studies demonstrated that inter-molecular interactions in these complex liquids influence both rheological and permeability characteristics. Transfer rate is governed not only by mucus composition and concentration but also by hydrophobic/hydrophilic properties of transported molecules. Second part was focused on the properties of such a layer in presence of selected nanostructured particles (different nanoclays and graphene oxide which may be present in lungs after inhalation. It was shown that most of such particles increase visco-elasticity of the mucus and reduce the rate of mass transfer of model drugs. Measured effects may have adverse impact on health, since they will reduce mucociliary clearance in vivo and slow down drug penetration to the bronchial epithelium during inhalation therapy.

  18. Calculation of electrical transport properties and electron entanglement in inhomogeneous quantum wires

    Directory of Open Access Journals (Sweden)

    A A Shokri

    2013-10-01

    Full Text Available In this paper, we have investigated the spin-dependent transport properties and electron entanglement in a mesoscopic system, which consists of two semi-infinite leads (as source and drain separated by a typical quantum wire with a given potential. The properties studied include current-voltage characteristic, electrical conductivity, Fano factor and shot noise, and concurrence. The calculations are based on the transfer matrix method within the effective mass approximation. Using the Landauer formalism and transmission coefficient, the dependence of the considered quantities on type of potential well, length and width of potential well, energy of transmitted electron, temperature and the voltage have been theoretically studied. Also, the effect of the above-mentioned factors has been investigated in the nanostructure. The application of the present results may be useful in designing spintronice devices.

  19. Transport of Cryptosporidium parvum Oocysts in Charge Heterogeneous Porous Media: Microfluidics Experiment and Numerical Simulation

    Science.gov (United States)

    Liu, Y.; Meng, X.; Guo, Z.; Zhang, C.; Nguyen, T. H.; Hu, D.; Ji, J.; Yang, X.

    2017-12-01

    Colloidal attachment on charge heterogeneous grains has significant environmental implications for transport of hazardous colloids, such as pathogens, in the aquifer, where iron, manganese, and aluminium oxide minerals are the major source of surface charge heterogeneity of the aquifer grains. A patchwise surface charge model is often used to describe the surface charge heterogeneity of the grains. In the patchwise model, the colloidal attachment efficiency is linearly correlated with the fraction of the favorable patches (θ=λ(θf - θu)+θu). However, our previous microfluidic study showed that the attachment efficiency of oocysts of Cryptosporidium parvum, a waterborne protozoan parasite, was not linear correlated with the fraction of the favorable patches (λ). In this study, we developed a pore scale model to simulate colloidal transport and attachment on charge heterogeneous grains. The flow field was simulated using the LBM method and colloidal transport and attachment were simulated using the Lagrange particle tracking method. The pore scale model was calibrated with experimental results of colloidal and oocyst transport in microfluidic devices and was then used to simulate oocyst transport in charge heterogeneous porous media under a variety of environmental relative conditions, i.e. the fraction of favorable patchwise, ionic strength, and pH. The results of the pore scale simulations were used to evaluate the effect of surface charge heterogeneity on upscaling of oocyst transport from pore to continuum scale and to develop an applicable correlation between colloidal attachment efficiency and the fraction of the favorable patches.

  20. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-11-15

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

  2. Exploring emergent properties in cellular homeostasis using OnGuard to model K+ and other ion transport in guard cells.

    Science.gov (United States)

    Blatt, Michael R; Wang, Yizhou; Leonhardt, Nathalie; Hills, Adrian

    2014-05-15

    It is widely recognized that the nature and characteristics of transport across eukaryotic membranes are so complex as to defy intuitive understanding. In these circumstances, quantitative mathematical modeling is an essential tool, both to integrate detailed knowledge of individual transporters and to extract the properties emergent from their interactions. As the first, fully integrated and quantitative modeling environment for the study of ion transport dynamics in a plant cell, OnGuard offers a unique tool for exploring homeostatic properties emerging from the interactions of ion transport, both at the plasma membrane and tonoplast in the guard cell. OnGuard has already yielded detail sufficient to guide phenotypic and mutational studies, and it represents a key step toward 'reverse engineering' of stomatal guard cell physiology, based on rational design and testing in simulation, to improve water use efficiency and carbon assimilation. Its construction from the HoTSig libraries enables translation of the software to other cell types, including growing root hairs and pollen. The problems inherent to transport are nonetheless challenging, and are compounded for those unfamiliar with conceptual 'mindset' of the modeler. Here we set out guidelines for the use of OnGuard and outline a standardized approach that will enable users to advance quickly to its application both in the classroom and laboratory. We also highlight the uncanny and emergent property of OnGuard models to reproduce the 'communication' evident between the plasma membrane and tonoplast of the guard cell. Copyright © 2014 The Authors. Published by Elsevier GmbH.. All rights reserved.

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

    Science.gov (United States)

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

    2018-04-01

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

  4. Characterizing and modelling the radionuclide transport properties of fracture zones in plutonic rocks of the Canadian Shield

    International Nuclear Information System (INIS)

    Davison, C.C.; Kozak, E.T.; Frost, L.H.; Everitt, R.A.; Brown, A.; Gascoyne, M.; Scheier, N.W.

    1999-01-01

    Plutonic rocks of the Canadian Shield were investigated as a potential host medium for nuclear fuel waste disposal of used CANDU nuclear fuel. Field investigations at several geologic research areas on the Shield have shown that major fracture zones are the dominant pathways for the large scale movement of groundwater and solutes through plutonic rock bodies. Because of this, a significant amount of the geoscience work has focused on methods to identify, characterize and model the radionuclide transport properties of major fracture zones in the fractured plutonic rocks of the Shield. In order to quantify the transport properties of such fracture zones a series of, groundwater tracer tests were performed over a period of several years in several major, low dipping fracture zones. Sixteen tracer tests were performed using dipole recirculation methods to evaluate transport over distance scales ranging from 17 m to 700 m. It was concluded that only tracer tests can provide useful estimates of the effective porosity and dispersivity characteristics of these large fracture zones in plutonic rocks of the Canadian Shield. (author)

  5. Analysis of aerosol absorption properties and transport over North Africa and the Middle East using AERONET data

    Directory of Open Access Journals (Sweden)

    A. Farahat

    2016-11-01

    Full Text Available In this paper particle categorization and absorption properties were discussed to understand transport mechanisms at different geographic locations and possible radiative impacts on climate. The long-term Aerosol Robotic Network (AERONET data set (1999–2015 is used to estimate aerosol optical depth (AOD, single scattering albedo (SSA, and the absorption Ångström exponent (αabs at eight locations in North Africa and the Middle East. Average variation in SSA is calculated at four wavelengths (440, 675, 870, and 1020 nm, and the relationship between aerosol absorption and physical properties is used to infer dominant aerosol types at different locations. It was found that seasonality and geographic location play a major role in identifying dominant aerosol types at each location. Analyzing aerosol characteristics among different sites using AERONET Version 2, Level 2.0 data retrievals and the Hybrid Single Particle Lagrangian Integrated Trajectory model (HYSPLIT backward trajectories shows possible aerosol particle transport among different locations indicating the importance of understanding transport mechanisms in identifying aerosol sources.

  6. Lattice dynamics and substrate-dependent transport properties of (In, Yb)-doped CoSb3 skutterudite thin films

    KAUST Repository

    Sarath Kumar, S. R.; Cha, Dong Kyu; Alshareef, Husam N.

    2011-01-01

    Lattice dynamics, low-temperature electrical transport, and high-temperature thermoelectric properties of (In, Yb)-doped CoSb3thin films on different substrates are reported. Pulsed laser deposition under optimized conditions yielded single

  7. Electron transport properties in ZnO nanowires/poly(3-hexylthiophene) hybrid nanostructure

    International Nuclear Information System (INIS)

    Cheng Ke; Cheng Gang; Wang Shujie; Fu Dongwei; Zou Bingsuo; Du Zuliang

    2010-01-01

    The ZnO nanowires (NWs) array/poly(3-hexylthiophene) (P3HT) hybrid prototype device was fabricated. An ultraviolet (UV) light of λ = 350 nm is used to investigate the photo-electric properties of the ZnO NWs array and hybrid structure. In this way, we can avoid the excitation of P3HT, which can give us a real electron transport ability of ZnO NWs itself. Our results demonstrated a higher and faster photo-electric response of 3 s for the hybrid structure while 9 s for the ZnO NWs array. The surface states related slow photo-electric response was also observed for them. The charge transfer mechanism and the influence of surface states were discussed. The current work provides us profound understandings on the electron transport ability of ZnO NWs array in a working hybrid polymer solar cell, which is crucial for optimizing the device performance.

  8. Meta-analysis of the effects of soil properties, site factors and experimental conditions on solute transport

    Directory of Open Access Journals (Sweden)

    J. K. Koestel

    2012-06-01

    Full Text Available Preferential flow is a widespread phenomenon that is known to strongly affect solute transport in soil, but our understanding and knowledge is still poor of the site factors and soil properties that promote it. To investigate these relationships, we assembled a database from the peer-reviewed literature containing information on 733 breakthrough curve experiments under steady-state flow conditions. Most of the collected experiments (585 of the 733 datasets had been conducted on undisturbed soil columns, although some experiments on repacked soil, clean sands, and glass beads were also included. In addition to the apparent dispersivity, we focused our attention on three indicators of preferential solute transport: namely the 5%-arrival time, the holdback factor, and the ratio of piston-flow and average transport velocities. Our results suggest that, in contrast to the 5%-arrival time and the holdback factor, the piston-flow to transport velocity ratio is not related to preferential macropore transport but rather to the exclusion or retardation of the applied tracer. Confirming that the apparent longitudinal dispersivity is positively correlated with the travel distance of the tracer, our results also illustrate that this relationship is refined if the normalized 5%-tracer arrival time is also taken into account. In particular, we found that the degree of preferential solute transport increases with apparent dispersivity and decreases with travel distance. A similar but weaker relationship was observed between apparent dispersivity, 5%-tracer arrival time, and lateral observation scale, such that the degree of preferential transport increases with lateral observation scale. However, we also found that the travel distance and the lateral observation scale in the investigated dataset are correlated, which makes it difficult to distinguish their influence on these transport characteristics. We also found that the strength of preferential transport

  9. Magnetic and transport properties of Fe-based nanocrystalline materials

    Science.gov (United States)

    Barandiarán, J. M.

    1994-01-01

    Fe-rich amorphous alloys containing late transition metals like Nb, V, Zr,..., sometimes with the addition of Cu, can crystallize in ultrafine grains of a crystalline phase, a few nanometers in diameter, embedded in a disordered matrix. In such state they have shown excellent soft magnetic properties for technical applications, rising the interest for deep studies. In this paper, recent work on some Fe-Nb and Fe-Zr based alloys both in amorphous state and after several degrees of nanocrystallization is presented. The nanocrystallization process has been achieved by conventional heat treatments (about 1 h at temperatures around 400-500 °C in a controlled atmosphere furnance) as well as by Joule heating using an electrical current flowing through the sample. Magnetic measurements, electrical resistivity, x-rays diffraction and 57Fe Mössbauer spectroscopy were used in the study of the crystalline phases appearing after the thermal treatments. The basic magnetic and transport properties of the nanocrystals do not differ appreciably from their bulk values. The magnetic anisotropy, however, is very sensitive to grain size and to the intergranular magnetic coupling. The effect of such coupling is deduced from the coercivity changes at the Curie Temperature of the amorphous matrix remaining after nanocrystallization.

  10. Charge transport properties in microcrystalline KDyFe(China)6

    International Nuclear Information System (INIS)

    Aubert, P.H.; Goubard, F.; Chevrot, C.; Tabuteau, A.

    2007-01-01

    Microcrystalline solid dysprosium(III) hexacyanoferrate(II) was synthesized by co-precipitation in aqueous solution. The resulting solid has been studied by Fourier transform infrared spectroscopy, X-ray analysis and solid state electrochemistry. The use of a cavity microelectrode was necessary to explore a wide range of time scale and minimize the (undesired) capacitive currents. Cyclic voltametric experiments were very helpful to understand the kinetic of charge transfer in such microstructure. A structure-properties relationship has been established from the crystallographic and the electrochemical properties. A square-scheme is presented to explain the unique electrochemical behavior of hexacyanoferrate containing dysprosium since this compound exhibits a second redox system. The solid presents an open channel-like morphology in which the motion of charged species occurs during the redox processes. Precisely, the electronic transfer is accompanied by a cation diffusion inside the microcrystalline structure. The size of these channels strongly suggests that the kinetic of charge transfer is limited by the cation transport into these structures. - Graphical abstract: Dy and Fe polyhedra packing in the cell of KDyFe(China) 6 .3.5H 2 O shows occluded water molecules and potassium ions forming a pseudohexagonal 2D sub-lattice connected to each other by diffusion channels

  11. TASK 7 DEMONSTRATION OF THAMES FOR MICROSTRUCTURE AND TRANSPORT PROPERTIES

    Energy Technology Data Exchange (ETDEWEB)

    Langton, C.; Bullard, J.; Stutzman, P.; Snyder, K.; Garboczi, E.

    2010-03-29

    The goal of the Cementitious Barriers Partnership (CBP) is to develop a reasonable and realible set of tools to reduce the uncertainty in predicting the structural, hydraulic and chemical performance of cement barriers used in nuclear applications that are exposed to dynamic environmental conditions over extended time frames. One of these tools, the responsibility of NIST, is THAMES (Thermodynamic Hydration and Microstructure Evolution Simulator), which is being developed to describe cementitious binder microstructures and calculate important engineering properties during hydration and degradation. THAMES is designed to be a 'micro-probe', used to evaluate changes in microstructure and properties occurring over time because of hydration or degradation reactions in a volume of about 0.001 mm{sup 3}. It will be used to map out microstructural and property changes across reaction fronts, for example, with spatial resolution adequate to be input into other models (e.g., STADIUM{reg_sign}, LeachSX{trademark}) in the integrated CBP package. THAMES leverages thermodynamic predictions of equilibrium phase assemblages in aqueous geochemical systems to estimate 3-D virtual microstructures of a cementitious binder at different times during the hydration process or potentially during degradation phenomena. These virtual microstructures can then be used to calculate important engineering properties of a concrete made from that binder at prescribed times. In this way, the THAMES model provides a way to calculate the time evolution of important material properties such as elastic stiffness, compressive strength, diffusivity, and permeability. Without this model, there would be no way to update microstructure and properties for the barrier materials considered as they are exposed to the environment, thus greatly increasing the uncertainty of long-term transport predictions. This Task 7 report demonstrates the current capabilities of THAMES. At the start of the CBP

  12. Comparison of Themodynamic and Transport Property Models for Computing Equilibrium High Enthalpy Flows

    Science.gov (United States)

    Ramasahayam, Veda Krishna Vyas; Diwakar, Anant; Bodi, Kowsik

    2017-11-01

    To study the flow of high temperature air in vibrational and chemical equilibrium, accurate models for thermodynamic state and transport phenomena are required. In the present work, the performance of a state equation model and two mixing rules for determining equilibrium air thermodynamic and transport properties are compared with that of curve fits. The thermodynamic state model considers 11 species which computes flow chemistry by an iterative process and the mixing rules considered for viscosity are Wilke and Armaly-Sutton. The curve fits of Srinivasan, which are based on Grabau type transition functions, are chosen for comparison. A two-dimensional Navier-Stokes solver is developed to simulate high enthalpy flows with numerical fluxes computed by AUSM+-up. The accuracy of state equation model and curve fits for thermodynamic properties is determined using hypersonic inviscid flow over a circular cylinder. The performance of mixing rules and curve fits for viscosity are compared using hypersonic laminar boundary layer prediction on a flat plate. It is observed that steady state solutions from state equation model and curve fits match with each other. Though curve fits are significantly faster the state equation model is more general and can be adapted to any flow composition.

  13. Magneto-transport properties of oriented Mn{sub 2}CoAl films sputtered on thermally oxidized Si substrates

    Energy Technology Data Exchange (ETDEWEB)

    Xu, G. Z.; Du, Y.; Zhang, X. M.; Liu, E. K.; Wang, W. H., E-mail: wenhong.wang@iphy.ac.cn; Wu, G. H. [State Key Laboratory for Magnetism, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Zhang, H. G. [College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China)

    2014-06-16

    Spin gapless semiconductors are interesting family of materials by embracing both magnetism and semiconducting due to their unique band structure. Its potential application in future spintronics requires realization in thin film form. In this Letter, we report fabrication and transport properties of spin gapless Mn{sub 2}CoAl films prepared on thermally oxidized Si substrates by magnetron sputtering deposition. The films deposited at 673 K are well oriented to (001) direction and display a uniform-crystalline surface. Magnetotransport measurements on the oriented films reveal a semiconducting-like resistivity, small anomalous Hall conductivity, and linear magnetoresistance representative of the transport signatures of spin gapless semiconductors. The magnetic properties of the films have also been investigated and compared to that of bulk Mn{sub 2}CoAl, showing small discrepancy induced by the composition deviation.

  14. Bayesian estimation of the hydraulic and solute transport properties of a small-scale unsaturated soil column

    NARCIS (Netherlands)

    Moreira, Paulo H S; Van Genuchten, Martinus Th; Orlande, Helcio R B; Cotta, Renato M.

    2016-01-01

    In this study the hydraulic and solute transport properties of an unsaturated soil were estimated simultaneously from a relatively simple small-scale laboratory column infiltration/outflow experiment. As governing equations we used the Richards equation for variably saturated flow and a physical

  15. Characterization of transport phenomena in porous transport layers using X-ray microtomography

    Science.gov (United States)

    Hasanpour, S.; Hoorfar, M.; Phillion, A. B.

    2017-06-01

    Among different methods available for estimating the transport properties of porous transport layers (PTLs) of polymer electrolyte membrane fuel cells, X-ray micro computed tomography (X-μCT) imaging in combination with image-based numerical simulation has been recognized as a viable tool. In this study, four commercially-available single-layer and dual-layer PTLs are analyzed using this method in order to compare and contrast transport properties between different PTLs, as well as the variability within a single sheet. Complete transport property datasets are created for each PTL. The simulation predictions indicate that PTLs with high porosity show considerable variability in permeability and effective diffusivity, while PTLs with low porosity do not. Furthermore, it is seen that the Tomadakis-Sotirchos (TS) analytical expressions for porous media match the image-based simulations when porosity is relatively low but predict higher permeability and effective diffusivity for porosity values greater than 80%. Finally, the simulations show that cracks within MPL of dual-layer PTLs have a significant effect on the overall permeability and effective diffusivity of the PTLs. This must be considered when estimating the transport properties of dual-layer PTLs. These findings can be used to improve macro-scale models of product and reactant transport within fuel cells, and ultimately, fuel cell efficiency.

  16. ANALYISIS OF TRANSPORTATION SYSTEMS AND TRANSPORTATION POLICIES IN TURKEY

    OpenAIRE

    Ali Payıdar AKGÜNGÖR; Abdulmuttalip DEMİREL

    2004-01-01

    Transportation systems have to be considered and analysed as a whole while transportation demand, becoming as a natural outcome of socioeconomic and socio-cultural structure, is being evaluated. It is desired that transportation system, which will be selected for both passenger and freight transport, should be rapid, economic, safe, causing least harm to environment and appropriate for the conditions of a country. However, it is difficult for a transportation system to have all these properti...

  17. Effect of lithium and sodium ion adsorption on the electronic transport properties of Ti3C2 MXene

    International Nuclear Information System (INIS)

    Berdiyorov, G.R.

    2015-01-01

    Highlights: • Effect of Li and Na ion adsorption on the electronic transport in Ti 3 C 2 MXene is studied. • Fluorinated, oxidized and hydroxylated surfaces are considered. • Enhanced charge transport is obtained for fluorinated and hydroxylated samples. • Electronic transmission is reduced in the oxidized sample. • The pristine and oxidized MXene samples are found to be sensitive to the ions adsorption. - Abstract: MXenes are found to be promising electrode materials for energy storage applications. Recent theoretical and experimental studies indicate the possibility of using these novel low dimensional materials for metal-ion batteries. Herein, we use density-functional theory in combination with the nonequilibrium Green's function formalism to study the effect of lithium and sodium ion adsorption on the electronic transport properties of the MXene, Ti 3 C 2 . Oxygen, hydroxyl and fluorine terminated species are considered and the obtained results are compared with the ones for the pristine MXene. We found that the ion adsorption results in reduced electronic transport in the pristine MXene: depending on the type of the ions and the bias voltage, the current in the system can be reduced by more than 30%. On the other hand, transport properties of the oxygen terminated sample can be improved by the ion adsorption: for both types of ions the current in the system can be increased by more than a factor of 4. However, the electronic transport is less affected by the ions in fluorinated and hydroxylated samples. These two samples show enhanced electronic transport as compared to the pristine MXene. The obtained results are explained in terms of electron localization in the system.

  18. Charge transport in metal oxide nanocrystal-based materials

    Science.gov (United States)

    Runnerstrom, Evan Lars

    There is probably no class of materials more varied, more widely used, or more ubiquitous than metal oxides. Depending on their composition, metal oxides can exhibit almost any number of properties. Of particular interest are the ways in which charge is transported in metal oxides: devices such as displays, touch screens, and smart windows rely on the ability of certain metal oxides to conduct electricity while maintaining visible transparency. Smart windows, fuel cells, and other electrochemical devices additionally rely on efficient transport of ionic charge in and around metal oxides. Colloidal synthesis has enabled metal oxide nanocrystals to emerge as a relatively new but highly tunable class of materials. Certain metal oxide nanocrystals, particularly highly doped metal oxides, have been enjoying rapid development in the last decade. As in myriad other materials systems, structure dictates the properties of metal oxide nanocrystals, but a full understanding of how nanocrystal synthesis, the processing of nanocrystal-based materials, and the structure of nanocrystals relate to the resulting properties of nanocrystal-based materials is still nascent. Gaining a fundamental understanding of and control over these structure-property relationships is crucial to developing a holistic understanding of metal oxide nanocrystals. The unique ability to tune metal oxide nanocrystals by changing composition through the introduction of dopants or by changing size and shape affords a way to study the interplay between structure, processing, and properties. This overall goal of this work is to chemically synthesize colloidal metal oxide nanocrystals, process them into useful materials, characterize charge transport in materials based on colloidal metal oxide nanocrystals, and develop ways to manipulate charge transport. In particular, this dissertation characterizes how the charge transport properties of metal oxide nanocrystal-based materials depend on their processing and

  19. Theoretical and Numerical Properties of a Gyrokinetic Plasma: Issues Related to Transport Time Scale Simulation

    International Nuclear Information System (INIS)

    Lee, W.W.

    2003-01-01

    Particle simulation has played an important role for the recent investigations on turbulence in magnetically confined plasmas. In this paper, theoretical and numerical properties of a gyrokinetic plasma as well as its relationship with magnetohydrodynamics (MHD) are discussed with the ultimate aim of simulating microturbulence in transport time scale using massively parallel computers

  20. Consequences of Debt Capitalization: Property Ownership and Debt/Tax Choice

    OpenAIRE

    Reiner Eichenberger; David Stadelmann

    2009-01-01

    Public debts capitalize into property prices. Therefore, property owners tend to favor tax over debt financing for government spending. In contrast, tenants do not suffer from debt capitalization. Thus, they tend to favor debt over tax financing. Our model of the resulting democratic fight between property owners and tenants over public debts and taxes predicts that the property ownership rate in a jurisdiction negatively effects the debt level. We provide empirical support for this hypothesi...

  1. EFFECT OF SANDSTONE ANISOTROPY ON ITS HEAT AND MOISTURE TRANSPORT PROPERTIES

    Directory of Open Access Journals (Sweden)

    Jan Fořt

    2015-09-01

    Full Text Available Each type of natural stone has its own geological history, formation conditions, different chemical and mineralogical composition, which influence its possible anisotropy. Knowledge in the natural stones anisotropy represents crucial information for the process of stone quarrying, its correct usage and arrangement in building applications. Because of anisotropy, many natural stones exhibit different heat and moisture transport properties in various directions. The main goal of this study is to analyse several anisotropy indices and their effect on heat transport and capillary absorption. For the experimental determination of the anisotropy effect, five types of sandstone coming from different operating quarries in the Czech Republic are chosen. These materials are often used for restoration of culture heritage monuments as well as for other building applications where they are used as facing slabs, facade panels, decoration stones, paving, etc. For basic characterization of studied materials, determination of their bulk density, matrix density and total open porosity is done. Chemical composition of particular sandstones is analysed by X-Ray Fluorescence. Anisotropy is examined by the non-destructive measurement of velocity of ultrasonic wave propagation. On the basis of ultrasound testing data, the relative anisotropy, total anisotropy and anisotropy coefficient are calculated. Then, the measurement of thermal conductivity and thermal diffusivity in various directions of samples orientation is carried out. The obtained results reveal significant differences between the parameters characterizing the heat transport in various directions, whereas these values are in accordance with the indices of anisotropy. Capillary water transport is described by water absorption coefficient measured using a sorption experiment, which is performed for distilled water and 1M NaCl water solution.  The measured data confirm the effect of anisotropy which is

  2. Accuracy of the Government-Owned Contractor-Occupied Real Property in the Military Departments' Real Property Databases

    National Research Council Canada - National Science Library

    2000-01-01

    .... Accurate reporting of real property on the Military Departments' real property databases is essential to DoD and the Federal Government receiving favorable audit opinions on their financial statements...

  3. Triphenylamine-Thienothiophene Organic Charge-Transport Molecular Materials: Effect of Substitution Pattern on their Thermal, Photoelectrochemical, and Photovoltaic Properties.

    Science.gov (United States)

    Le, Thi Huong; Dao, Quang-Duy; Nghiêm, Mai-Phuong; Péralta, Sébastien; Guillot, Regis; Pham, Quoc Nghi; Fujii, Akihiko; Ozaki, Masanori; Goubard, Fabrice; Bui, Thanh-Tuân

    2018-04-25

    Two readily accessible thienothiophene-triphenylamine charge-transport materials have been synthesized by simply varying the substitution pattern of the triphenylamine groups on a central thienothiophene π-linker. The impact of the substitution pattern on the thermal, photoelectrochemical, and photovoltaic properties of these materials was evaluated and, based on theoretical and experimental studies, we found that the isomer in which the triphenylamine groups were located at the 2,5-positions of the thienothiophene core (TT-2,5-TPA) had better π-conjugation than the 3,6-isomer (TT-3,6-TPA). Whilst the thermal, morphological, and hydrophobic properties of the two materials were similar, their optoelectrochemical and photovoltaic properties were noticeably impacted. When applied as hole-transport materials in hybrid perovskite solar cells, the 2,5-isomer exhibited a power-conversion efficiency of 13.6 %, much higher than that of its 3,6-counterpart (0.7 %) under the same standard conditions. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Structural, magnetic and electrical transport properties in cold-drawn thin Fe-rich wires

    International Nuclear Information System (INIS)

    Garcia, C.; Chizhik, A.; Val, J.J. del; Zhukov, A.; Blanco, J.M.; Gonzalez, J.

    2005-01-01

    Microstructural (X-ray diffraction), magnetic properties (hysteresis loop), electrical resistivity, magneto-impedance and stress impedance effects have been investigated in cold-drawn Fe 77.5 B 15 Si 7.5 amorphous wire. Initial amorphous wire (obtained by the in-rotating-water technique) with diameter of 125 μm was submitted to cold-drawn process decreasing the diameter to 50 μm. Such cold-drawn wire was treated by current annealing (currents of 190, 210, 220 and 230 mA during times between 1 and 45 min) for tailoring the magnetic and electrical transport properties. A qualitative analysis of the magnetoimpedance and stress impedance effects is given by considering the influence of the magnetoelastic anisotropy and frequency of the AC driving electrical current on the circular permeability

  5. Transport in Halobacterium Halobium: Light-Induced Cation-Gradients, Amino Acid Transport Kinetics, and Properties of Transport Carriers

    Science.gov (United States)

    Lanyi, Janos K.

    1977-01-01

    Cell envelope vesicles prepared from H. halobium contain bacteriorhodopsin and upon illumination protons are ejected. Coupled to the proton motive force is the efflux of Na(+). Measurements of Na-22 flux, exterior pH change, and membrane potential, Delta(psi) (with the dye 3,3'-dipentyloxadicarbocyanine) indicate that the means of Na(+) transport is sodium/proton exchange. The kinetics of the pH changes and other evidence suggests that the antiport is electrogenic (H(+)/Na(++ greater than 1). The resulting large chemical gradient for Na(+) (outside much greater than inside), as well as the membrane potential, will drive the transport of 18 amino acids. The I9th, glutamate, is unique in that its accumulation is indifferent to Delta(psi): this amino acid is transported only when a chemical gradient for Na(+) is present. Thus, when more and more NaCl is included in the vesicles glutamate transport proceeds with longer and longer lags. After illumination the gradient of H+() collapses within 1 min, while the large Na(+) gradient and glutamate transporting activity persists for 10- 15 min, indicating that proton motive force is not necessary for transport. A chemical gradient of Na(+), arranged by suspending vesicles loaded with KCl in NaCl, drives glutamate transport in the dark without other sources of energy, with V(sub max) and K(sub m) comparable to light-induced transport. These and other lines of evidence suggest that the transport of glutamate is facilitated by symport with Na(+), in an electrically neutral fashion, so that only the chemical component of the Na(+) gradient is a driving force.

  6. Measurement of Effect of Chemical Reactions on the Hydrologic Properties of Fractured Glass Media Using a Tri-axial Flow and Transport Apparatus

    International Nuclear Information System (INIS)

    Saripalli, Prasad; Lindberg, Michael J.; Meyer, P. D.

    2006-01-01

    Understanding the effect of chemical reactions on the hydrologic properties of sub-surface media is critical to many natural and engineered sub-surface systems. Methods and information for such characterization of fractured media are severely lacking. Influence of glass corrosion (precipitation and dissolution) reactions on fractured glass blocks HAN28 and LAWBP1, two candidate waste glass forms for a proposed immobilized low-activity waste (ILAW) disposal facility at the Hanford, WA site, was investigated. Flow and tracer transport experiments were conducted in such randomly and multiply fractured ILAW glass blocks, before and after subjecting them to corrosion using Vapor Hydration Testing (VHT) at 200 C temperature and 200 psig (1379 KPa) pressure, causing the precipitation of alteration products. A tri-axial fractured media flow and transport experimental apparatus, which allows the simultaneous measurement of flow and transport properties and their anisotropy, has been designed and built for this purpose. Such apparatus for fractured media characterization are being reported in the literature only recently. Hydraulic properties of fractured blocks were measured in different orientations and along different cardinal directions, before and after glass corrosion reactions. Miscible displacement experiments using a non-reactive dye were also conducted, before and after glass corrosion reactions, to study the tracer transport behavior through such media. Initial efforts to analyze breakthrough curve (BTC) data using a 1D Advection Dispersion Equation (ADE) solution revealed that a different fractured media transport model may be necessary for such interpretation. It was found that glass reactions can have a significant influence on the hydrologic properties of fractured ILAW glass media. The methods and results are unique and useful to better understand the effect of chemical reactions on the hydrologic properties of fractured geomedia in general and glass media in

  7. Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons

    International Nuclear Information System (INIS)

    Cardia, R.; Malloci, G.; Bosin, A.; Serra, G.; Cappellini, G.

    2016-01-01

    We present a systematic computational study of the effects of perfluorination on the charge-transport properties of three homologous classes of polyaromatic hydrocarbons of interest for molecular electronics: acenes, pyrenes, and circumacenes. By means of Density Functional Theory calculations we first obtained the key molecular properties for transport of both holes and electrons. We then used these parameters in the framework of Marcus theory to compare charge-transfer rates in the high temperatures regime for both unsubstituted and perfluorinated molecules. We additionally estimated the relative charge-mobility of each unsubstituted (perfluorinated) molecule with respect to unsubstituted (perfluorinated) pentacene. We found in all cases that perfluorination reduces the charge-transfer rate in absolute terms. This is largely due to the higher values of the molecular reorganization energies predicted for perfluorinated compounds. Interestingly, however, the charge-transfer rates for both holes and electrons of perfluorinated species are remarkably similar, especially for the larger species. In addition, in the case of the larger circumacenes the charge-mobility values relative to pentacene values are found to increase upon perfluorination.

  8. Manipulation of magnetic and magneto-transport properties of amorphous CoO1–v films

    International Nuclear Information System (INIS)

    Cao, Yan-ling; Zhang, Kun; Li, Huan-huan; Tian, Yu-feng; Yan, Shi-shen; Xiao, Shu-qin; Chen, Yan-xue; Kang, Shi-shou; Liu, Guo-lei; Mei, Liang-mo

    2015-01-01

    The magnetic and magneto-transport properties of amorphous CoO 1−v films have been systematically studied and manipulated by changing the concentration of oxygen vacancies. A giant exchange bias field H E ≈4380 Oe and a large coercivity H C ≈8500 Oe are observed at 5 K for the composite films. And, a metal to insulator transition has been demonstrated in CoO 1−v films by decreasing the concentration of oxygen vacancies. Moreover, a remarkable decrease of the exchange bias and a slight increase of the saturation magnetization can be obtained by modifying the microstructures through post-thermal annealing. - Highlights: • Magnetic and magneto-transport properties of amorphous CoO 1−v are studied. • A giant exchange bias effect with H E ≈4380 Oe and H C ≈8500 Oe is observed at 5 K. • A metal–insulator transition is observed in CoO 1−v by changing the oxygen pressure. • The exchange bias decreases while saturation magnetization increases with annealing

  9. Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Cardia, R. [Università degli studi di Cagliari, Dipartimento di Fisica, Cittadella Universitaria, I-09042 Monserrato (Cagliari) (Italy); Istituto Officina dei Materiali (CNR – IOM), UOS di Cagliari, Cittadella Universitaria, I-09042 Monserrato, Cagliari (Italy); Malloci, G., E-mail: giuliano.malloci@dsf.unica.it [Università degli studi di Cagliari, Dipartimento di Fisica, Cittadella Universitaria, I-09042 Monserrato (Cagliari) (Italy); Bosin, A.; Serra, G. [Università degli studi di Cagliari, Dipartimento di Fisica, Cittadella Universitaria, I-09042 Monserrato (Cagliari) (Italy); Cappellini, G., E-mail: giancarlo.cappellini@dsf.unica.it [Università degli studi di Cagliari, Dipartimento di Fisica, Cittadella Universitaria, I-09042 Monserrato (Cagliari) (Italy); Istituto Officina dei Materiali (CNR – IOM), UOS di Cagliari, Cittadella Universitaria, I-09042 Monserrato, Cagliari (Italy)

    2016-10-20

    We present a systematic computational study of the effects of perfluorination on the charge-transport properties of three homologous classes of polyaromatic hydrocarbons of interest for molecular electronics: acenes, pyrenes, and circumacenes. By means of Density Functional Theory calculations we first obtained the key molecular properties for transport of both holes and electrons. We then used these parameters in the framework of Marcus theory to compare charge-transfer rates in the high temperatures regime for both unsubstituted and perfluorinated molecules. We additionally estimated the relative charge-mobility of each unsubstituted (perfluorinated) molecule with respect to unsubstituted (perfluorinated) pentacene. We found in all cases that perfluorination reduces the charge-transfer rate in absolute terms. This is largely due to the higher values of the molecular reorganization energies predicted for perfluorinated compounds. Interestingly, however, the charge-transfer rates for both holes and electrons of perfluorinated species are remarkably similar, especially for the larger species. In addition, in the case of the larger circumacenes the charge-mobility values relative to pentacene values are found to increase upon perfluorination.

  10. Epigenetic modulation of the biophysical properties of drug-resistant cell lipids to restore drug transport and endocytic functions.

    Science.gov (United States)

    Vijayaraghavalu, Sivakumar; Peetla, Chiranjeevi; Lu, Shan; Labhasetwar, Vinod

    2012-09-04

    In our recent studies exploring the biophysical characteristics of resistant cell lipids, and the role they play in drug transport, we demonstrated the difference of drug-resistant breast cancer cells from drug-sensitive cells in lipid composition and biophysical properties, suggesting that cancer cells acquire a drug-resistant phenotype through the alteration of lipid synthesis to inhibit intracellular drug transport to protect from cytotoxic effect. In cancer cells, epigenetic changes (e.g., DNA hypermethylation) are essential to maintain this drug-resistant phenotype. Thus, altered lipid synthesis may be linked to epigenetic mechanisms of drug resistance. We hypothesize that reversing DNA hypermethylation in resistant cells with an epigenetic drug could alter lipid synthesis, changing the cell membrane's biophysical properties to facilitate drug delivery to overcome drug resistance. Herein we show that treating drug-resistant breast cancer cells (MCF-7/ADR) with the epigenetic drug 5-aza-2'-deoxycytidine (decitabine) significantly alters cell lipid composition and biophysical properties, causing the resistant cells to acquire biophysical characteristics similar to those of sensitive cell (MCF-7) lipids. Following decitabine treatment, resistant cells demonstrated increased sphingomyelinase activity, resulting in a decreased sphingomyelin level that influenced lipid domain structures, increased membrane fluidity, and reduced P-glycoprotein expression. Changes in the biophysical characteristics of resistant cell lipids facilitated doxorubicin transport and restored endocytic function for drug delivery with a lipid-encapsulated form of doxorubicin, enhancing the drug efficacy. In conclusion, we have established a new mechanism for efficacy of an epigenetic drug, mediated through changes in lipid composition and biophysical properties, in reversing cancer drug resistance.

  11. Electrical transport properties of large, individual NiCo{sub 2}O{sub 4} nanoplates

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Linfeng; Wu, Limin; Hu, Xinhua; Fang, Xiaosheng [Department of Materials Science, Fudan University, Shanghai (China); Liao, Meiyong [Optical and Electronic Materials Unit, National Institute for Materials Science (NIMS), Namiki, Tsukuba, Ibaraki (Japan)

    2012-03-07

    Understanding the electrical transport properties of individual semiconductor nanostructures is crucial to advancing their practical applications in high-performance nanodevices. Large-sized individual nanostructures with smooth surfaces are preferred because they can be easily made into nanodevices using conventional photolithography procedures rather than having to rely on costly and complex electron-beam lithography techniques. In this study, micrometer-sized NiCo{sub 2}O{sub 4} nanoplates are successfully prepared from their corresponding hydroxide precursor using a quasi-topotactic transformation. The Co/Ni atomic arrangement shows no changes during the transformation from the rhombohedral LDH precursor (space group R anti 3 m) to the cubic NiCo{sub 2}O{sub 4} spinel (space group Fd anti 3 m), and the nanoplate retains its initial morphology during the conversion process. In particular, electrical transport within an individual NiCo{sub 2}O{sub 4} nanoplate is further investigated. The mechanisms of electrical conduction in the low-temperature range (T < 100 K) can be explained in terms of the Mott's variable-range hopping model. At high temperatures (T > 100 K), both the variable-range hopping and nearest-neighbor hopping mechanisms contribute to the electrical transport properties of the NiCo{sub 2}O{sub 4} nanoplate. These initial results will be useful to understanding the fundamental characteristics of these nanoplates and to designing functional nanodevices from NiCo{sub 2}O{sub 4} nanostructures. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Accurate ab initio potential for the krypton dimer and transport properties of the low-density krypton gas.

    Science.gov (United States)

    Waldrop, Jonathan M; Song, Bo; Patkowski, Konrad; Wang, Xiaopo

    2015-05-28

    A new highly accurate potential energy curve for the krypton dimer was constructed using coupled-cluster calculations up to the singles, doubles, triples, and perturbative quadruples level, including corrections for core-core and core-valence correlation and for relativistic effects. The ab initio data points were fitted to an analytic potential which was used to compute the most important transport properties of the krypton gas. The viscosity, thermal conductivity, self-diffusion coefficient, and thermal diffusion factor were calculated by the kinetic theory at low density and temperatures from 116 to 5000 K. The comparisons with literature experimental data as well as with values from other pair potentials indicate that our new potential is superior to all previous ones. The transport property values computed in this work are recommended as standard values over the complete temperature range.

  13. First-principles study on the electronic, optical, and transport properties of monolayer α - and β -GeSe

    Science.gov (United States)

    Xu, Yuanfeng; Zhang, Hao; Shao, Hezhu; Ni, Gang; Li, Jing; Lu, Hongliang; Zhang, Rongjun; Peng, Bo; Zhu, Yongyuan; Zhu, Heyuan; Soukoulis, Costas M.

    2017-12-01

    The extraordinary properties and the novel applications of black phosphorene induce the research interest in the monolayer group-IV monochalcogenides. Here using first-principles calculations, we systematically investigate the electronic, transport, and optical properties of monolayer α - and β -GeSe, revealing a direct band gap of 1.61 eV for monolayer α -GeSe and an indirect band gap of 2.47 eV for monolayer β -GeSe. For monolayer β -GeSe, the electronic/hole transport is anisotropic, with an extremely high electron mobility of 2.93 ×104cm2/Vs along the armchair direction, comparable to that of black phosphorene. Furthermore, for β -GeSe, robust band gaps nearly independent of the applied tensile strain along the armchair direction are observed. Both monolayer α - and β -GeSe exhibit anisotropic optical absorption in the visible spectrum.

  14. Transport in stellarators

    International Nuclear Information System (INIS)

    Maassberg, H.; Brakel, R.; Burhenn, R.; Gasparino, U.; Grigull, P.; Kick, M.; Kuehner, G.; Ringler, H.; Sardei, F.; Stroth, U.; Weller, A.

    1993-01-01

    The local electron and ion heat transport as well as the particle and impurity transport properties in stellarators are reviewed. In this context, neoclassical theory is used as a guideline for the comparison of the experimental results of the quite different confinement concepts. At sufficiently high temperatures depending on the specific magnetic configuration, neoclassical predictions are confirmed by experimental findings. The confinement properties in the LMFP collisionality regime are discussed with respect to the next stellarator generation, for which at higher temperatures the neoclassical transport is expected to become more important. (orig.)

  15. Perovskite solid electrolytes: Structure, transport properties and fuel cell applications

    DEFF Research Database (Denmark)

    Bonanos, N.; Knight, K.S.; Ellis, B.

    1995-01-01

    Doped barium cerate perovskites, first investigated by Iwahara and co-workers, have ionic conductivities of the order of 20 mS/cm at 800 degrees C making them attractive as fuel cell electrolytes for this temperature region. They have been used to construct laboratory scale fuel cells, which...... vapour transfer in a cell in which the perovskite is exposed to wet hydrogen on both sides. The evolution of transport properties with temperature is discussed in relation to structure. Neutron diffraction studies of doped and undoped barium cerate are reported, revealing a series of phase transitions...... between ambient temperature and 1000 degrees C. The available literature on chemical stability of cerate perovskites to reduction and attack by carbon dioxide is reviewed in brief....

  16. Influence of co-deposited active layers on carrier transport and luminescent properties in organic light emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Murata, Masaya; Yamamoto, Takayuki; Haishi, Motoki; Ohtani, Naoki [Department of Electronics, Doshisha University, Tatara-Miyakodani, Kyotanabe-shi, Kyoto (Japan); Ando, Taro [Central Research Laboratory, Hamamatsu Photonics, Hirakuchi, Hamakita-ku, Hamamatsu-shi, Shizuoka (Japan)

    2009-01-15

    We have investigated the influence of a co-deposited active layer in organic light-emitting diodes (OLEDs) on carrier transport and optical properties to improve radiative characteristics of OLEDs. The co-deposited layer consists of two organic materials; one is a hole transport material (TPD) and the other is an electron transport/emissive material (Alq3). We evaluated current-voltage characteristics and electroluminescence (EL) properties of various samples in which the thicknesses and compound ratios of the co-deposited layers are different. The results indicate that the devices consisting of TPD:Alq3 co-deposited layer sandwiched between TPD and Alq3 layers exhibit lower starting voltages for the light emission than the sample of simple TPD/Alq3 heterojunction structure. In addition, the starting voltage is independent of the thickness of TPD:Alq3 co-deposited layer. These samples have two interfaces at both surfaces of TPD:Alq3 co-deposited layer. Thus, we estimated the radiative recombination occurs at the interfaces. Nevertheless, we found that the radiative recombination occurs only at the interface of TPD:Alq3 co-deposited layer and Alq3 layer. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Epigenetic Modulation of the Biophysical Properties of Drug-Resistant Cell Lipids to Restore Drug Transport and Endocytic Functions

    OpenAIRE

    Vijayaraghavalu, Sivakumar; Peetla, Chiranjeevi; Lu, Shan; Labhasetwar, Vinod

    2012-01-01

    In our recent studies exploring the biophysical characteristics of resistant cell lipids, and the role they play in drug transport, we demonstrated the difference of drug-resistant breast cancer cells from drug-sensitive cells in lipid composition and biophysical properties, suggesting that cancer cells acquire a drug-resistant phenotype through the alteration of lipid synthesis to inhibit intracellular drug transport to protect from cytotoxic effect. In cancer cells, epigenetic changes (e.g....

  18. Thermodynamic and transport properties of YbNi 4Cd

    Science.gov (United States)

    Lee, J.; Park, H.; Lee-Hone, N. R.; Broun, D. M.; Mun, E.

    2018-05-01

    The single crystal growth and the physical properties of the intermetallic compounds R Ni4Cd (R =Y and Yb) which crystallize in the face-centered cubic (fcc) MgCu4Sn -type structure (space group F 4 ¯3 m ) are discussed. Thermodynamic and transport properties of YbNi4Cd are studied by measuring the magnetization, electrical resistivity, and specific heat. The magnetic susceptibility measurement shows that the 4 f electrons of Yb3 + ions are well localized. The electrical resistivity and specific heat exhibits an antiferromagnetic ordering below TN=0.97 K. Applying the field along the [111] direction results in the suppression of TN below 0.4 K at the critical field Hc˜4.5 kOe. No non-Fermi liquid behavior has been observed in the vicinity of Hc. Above Hc, the magnetoresistivity shows an unconventional temperature dependence ρ (T ) =ρ0+A Tn with n >2 , suggesting that an additional scattering mechanism in the resistivity needs to be considered. Based on the analysis of experimental results, we conclude that the Yb3 + moments and conduction electrons are weakly coupled. Despite the antiferromagnetic ordering below TN, YbNi4Cd exhibits a large frustration parameter | θp/TN|˜16 , where the magnetic Yb3 + ions occupy the tetrahedra on the fcc lattice.

  19. A Favorable Course of Palliative Sedation: Searching for Indicators Using Caregivers' Perspectives

    NARCIS (Netherlands)

    Brinkkemper, T.; Rietjens, J.A.C.; Deliens, L.; Ribbe, M.W.; Swart, S.J.; Loer, S.A.; Zuurmond, W.W.A.; Perez, R.S.G.M.

    2015-01-01

    Objective:Comparing characteristics of a favorable sedation course during palliative sedation to a less favorable course based on the reports Dutch physicians and nurses.Results:Cases identified as having a favorable sedation course less often concerned a male patient (P = .019 nurses' cases),

  20. Bayesian estimation of the hydraulic and solute transport properties of a small-scale unsaturated soil column

    Directory of Open Access Journals (Sweden)

    Moreira Paulo H. S.

    2016-03-01

    Full Text Available In this study the hydraulic and solute transport properties of an unsaturated soil were estimated simultaneously from a relatively simple small-scale laboratory column infiltration/outflow experiment. As governing equations we used the Richards equation for variably saturated flow and a physical non-equilibrium dual-porosity type formulation for solute transport. A Bayesian parameter estimation approach was used in which the unknown parameters were estimated with the Markov Chain Monte Carlo (MCMC method through implementation of the Metropolis-Hastings algorithm. Sensitivity coefficients were examined in order to determine the most meaningful measurements for identifying the unknown hydraulic and transport parameters. Results obtained using the measured pressure head and solute concentration data collected during the unsaturated soil column experiment revealed the robustness of the proposed approach.

  1. Frictional behaviour and transport properties of simulated fault gouges derived from a natural CO2 reservoir

    NARCIS (Netherlands)

    Bakker, E.; Hangx, S.J.T.|info:eu-repo/dai/nl/30483579X; Niemeijer, A.R.|info:eu-repo/dai/nl/370832132; Spiers, C.J.|info:eu-repo/dai/nl/304829323

    2016-01-01

    We investigated the effects of long-term CO2-brine-rock interactions on the frictional and transport properties of reservoir-derived fault gouges, prepared from both unexposed and CO2-exposed sandstone, and from aragonite-cemented fault rock of an active CO2-leaking conduit, obtained from a natural

  2. Airborne measurements of aerosol optical properties related to early spring transport of mid-latitude sources into the Arctic

    Directory of Open Access Journals (Sweden)

    R. A. de Villiers

    2010-06-01

    Full Text Available Airborne lidar and in-situ measurements of the aerosol properties were conducted between Svalbard Island and Scandinavia in April 2008. Evidence of aerosol transport from Europe and Asia is given. The analysis of the aerosol optical properties based on a multiwavelength lidar (355, 532, 1064 nm including volume depolarization at 355 nm aims at distinguishing the role of the different aerosol sources (Siberian wild fires, Eastern Asia and European anthropogenic emissions. Combining, first aircraft measurements, second FLEXPART simulations with a calculation of the PBL air fraction originating from the three different mid-latitude source regions, and third level-2 CALIPSO data products (i.e. backscatter coefficient 532 nm,volume depolarization and color ratio between 1064 and 532 nm in aerosol layers along the transport pathways, appears a valuable approach to identify the role of the different aerosol sources even after a transport time larger than 4 days. Optical depth of the aerosol layers are always rather small (<4% while transported over the Arctic and ratio of the total attenuated backscatter (i.e. including molecular contribution provide more stable result than conventional aerosol backscatter ratio. Above Asia, CALIPSO data indicate more depolarization (up to 15% and largest color ratio (>0.5 for the northeastern Asia emissions (i.e. an expected mixture of Asian pollution and dust, while low depolarization together with smaller and quasi constant color ratio (≈0.3 are observed for the Siberian biomass burning emissions. A similar difference is visible between two layers observed by the aircraft above Scandinavia. The analysis of the time evolution of the aerosol optical properties revealed by CALIPSO between Asia and Scandinavia shows a gradual decrease of the aerosol backscatter, depolarization ratio and color ratio which suggests the removal of the largest particles in the accumulation mode. A similar study conducted for a European

  3. Identifying the Critical Links in Road Transportation Networks: Centrality-based approach utilizing structural properties

    Energy Technology Data Exchange (ETDEWEB)

    Chinthavali, Supriya [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-04-01

    Surface transportation road networks share structural properties similar to other complex networks (e.g., social networks, information networks, biological networks, and so on). This research investigates the structural properties of road networks for any possible correlation with the traffic characteristics such as link flows those determined independently. Additionally, we define a criticality index for the links of the road network that identifies the relative importance in the network. We tested our hypotheses with two sample road networks. Results show that, correlation exists between the link flows and centrality measures of a link of the road (dual graph approach is followed) and the criticality index is found to be effective for one test network to identify the vulnerable nodes.

  4. Transport properties of ruthenophanes – A theoretical insight

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, Leone C., E-mail: leoqmc@ifsc.edu.br [Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC 88040-900 (Brazil); Instituto Federal de Educação Ciência e Tecnologia de Santa Catarina – Campus São José, São José, SC 88103-310 (Brazil); Caramori, Giovanni F. [Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC 88040-900 (Brazil); Bergamo, Pedro A.S. [Núcleo de Pesquisa em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP 14404-600 (Brazil); Parreira, Renato L.T., E-mail: renato.parreira@unifran.edu.br [Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC 88040-900 (Brazil)

    2016-10-20

    In this article, the electron transport properties of a series of ruthenophanes, 1–4, containing electron-donor and electron-acceptor substituents are studied. The electronic transmission at zero bias is mainly driven by only one eigenchannel. The substitutions constrain the energies in which the probability of electronic transmission is significant. The results suggest that the conductance at zero bias is dependent on the nature of the employed substituent. The eigenchannel wave functions show that the central molecules are preferentially coupled with right electrode. The calculated molecular projected self-consistent hamiltonian states also suggest that there is a dependence of the conductance at zero bias with the nature of the employed substituent. The current–voltage analyses suggest that the negative differential resistance effect is present in ruthenophanes, but it is dependent on both the nature of the substituent and the bias. Despite the moderate rectification ratio of the ruthenophanes, they present non-ohmic behaviour, indicating that they can be used as potential candidates in electronic molecular devices such as switches, oscillators, and frequency multipliers.

  5. Improving charge transport property and energy transfer with carbon quantum dots in inverted polymer solar cells

    International Nuclear Information System (INIS)

    Liu, Chunyu; Chang, Kaiwen; Guo, Wenbin; Li, Hao; Shen, Liang; Chen, Weiyou; Yan, Dawei

    2014-01-01

    Carbon quantum dots (Cdots) are synthesized by a simple method and introduced into active layer of polymer solar cells (PSCs). The performance of doped devices was apparently improved, and the highest power conversion efficiency of 7.05% was obtained, corresponding to a 28.2% enhancement compared with that of the contrast device. The charge transport properties, resistance, impedance, and transient absorption spectrum are systematically investigated to explore how the Cdots affect on PSCs performance. This study reveals the importance of Cdots in enhancing the efficiency of PSCs and gives insight into the mechanism of charge transport improvement.

  6. First-Principles Calculations of Electronic, Optical, and Transport Properties of Materials for Energy Applications

    Science.gov (United States)

    Shi, Guangsha

    Solar electricity is a reliable and environmentally friendly method of sustainable energy production and a realistic alternative to conventional fossil fuels. Moreover, thermoelectric energy conversion is a promising technology for solid-state refrigeration and efficient waste-heat recovery. Predicting and optimizing new photovoltaic and thermoelectric materials composed of Earth-abundant elements that exceed the current state of the art, and understanding how nanoscale structuring and ordering improves their energy conversion efficiency pose a challenge for materials scientists. I approach this challenge by developing and applying predictive high-performance computing methods to guide research and development of new materials for energy-conversion applications. Advances in computer-simulation algorithms and high-performance computing resources promise to speed up the development of new compounds with desirable properties and significantly shorten the time delay between the discovery of new materials and their commercial deployment. I present my calculated results on the extraordinary properties of nanostructured semiconductor materials, including strong visible-light absorbance in nanoporous silicon and few-layer SnSe and GeSe. These findings highlight the capability of nanoscale structuring and ordering to improve the performance of Earth-abundant materials compared to their bulk counterparts for solar-cell applications. I also successfully identified the dominant mechanisms contributing to free-carrier absorption in n-type silicon. My findings help evaluate the impact of the energy loss from this absorption mechanism in doped silicon and are thus important for the design of silicon solar cells. In addition, I calculated the thermoelectric transport properties of p-type SnSe, a bulk material with a record thermoelectric figure of merit. I predicted the optimal temperatures and free-carrier concentrations for thermoelectric energy conversion, as well the

  7. Transport properties and device-design of Z-shaped MoS2 nanoribbon planar junctions

    Science.gov (United States)

    Zhang, Hua; Zhou, Wenzhe; Liu, Qi; Yang, Zhixiong; Pan, Jiangling; Ouyang, Fangping; Xu, Hui

    2017-09-01

    Based on MoS2 nanoribbons, metal-semiconductor-metal planar junction devices were constructed. The electronic and transport properties of the devices were studied by using density function theory (DFT) and nonequilibrium Green's functions (NEGF). It is found that a band gap about 0.4 eV occurs in the planar junction. The electron and hole transmissions of the devices are mainly contributed by the Mo atomic orbitals. The electron transport channel is located at the edge of armchair MoS2 nanoribbon, while the hole transport channel is delocalized in the channel region. The I-V curve of the two-probe device shows typical transport behavior of Schottky barrier, and the threshold voltage is of about 0.2 V. The field effect transistors (FET) based on the planar junction turn out to be good bipolar transistors, the maximum current on/off ratio can reach up to 1 × 104, and the subthreshold swing is 243 mV/dec. It is found that the off-state current is dependent on the length and width of the channel, while the on-state current is almost unaffected. The switching performance of the FET is improved with increasing the length of the channel, and shows oscillation behavior with the change of the channel width.

  8. Computer codes for the evaluation of thermodynamic and transport properties for equilibrium air to 30000 K

    Science.gov (United States)

    Thompson, Richard A.; Lee, Kam-Pui; Gupta, Roop N.

    1991-01-01

    The computer codes developed here provide self-consistent thermodynamic and transport properties for equilibrium air for temperatures from 500 to 30000 K over a temperature range of 10 (exp -4) to 10 (exp -2) atm. These properties are computed through the use of temperature dependent curve fits for discrete values of pressure. Interpolation is employed for intermediate values of pressure. The curve fits are based on mixture values calculated from an 11-species air model. Individual species properties used in the mixture relations are obtained from a recent study by the present authors. A review and discussion of the sources and accuracy of the curve fitted data used herein are given in NASA RP 1260.

  9. ECRH and electron heat transport in tokamaks

    International Nuclear Information System (INIS)

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

    2003-01-01

    non- local. It can be concluded that the profile resilience mainly results from two effects: the first one is that the lower order Eigenmode are more favored than the higher order; the second one (volume effect) is that the central source (ohmic heating) is favored with respect to the off-axis source (ECRH) in the contribution to the temperature profile shape. We emphasize that the resilience effect on the temperature profile is a basic and natural property of the diffusion equation in cylindrical geometry. All additional effects, as the heat pinch, critical gradient, etc, can reinforce this resilience. Finally, this analytical solution has been used with success for the determination of the transport coefficient and the polarization of the EC waves during ECRH experiments in the Tore Supra tokamak. (authors)

  10. Konrad transport study: Safety analysis of the transportation of radioactive waste to the Konrad waste disposal site

    International Nuclear Information System (INIS)

    Lange, F.; Gruendler, D.; Schwarz, G.

    1992-05-01

    For the purpose of the study the anticipated waste transport volume and the waste properties were analysed in detail. This included information on the transport containers, waste product properties, activity inventories and local dose rates of the waste packages being transported. The envisaged practical implementation, i.e. the transport arrangements including shunting operations at the Braunschweig marshalling yard and the Beddingen interchange station, were also included. The two shipping scenarios 100% transportation by rail and 80% transportation by rail, 20% by road, which could be considered to bound the real conditions, were analysed. The relevant transport regulations contain the requirements to be met by the transport of shipping units carrying radioactive waste. In addition, the ''Konrad preliminary waste acceptance criteria'' contain activity limits for waste packages being disposed of in conjunction with further requirements relating to the properties of waste products and waste containers. (orig./DG)

  11. Effect of microstructure on the electronic transport properties of epitaxial CaRuO{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Daptary, Gopi Nath; Sow, Chanchal; Sarkar, Suman; Chiniwar, Santosh; Kumar, P.S. Anil [Department of Physics, Indian Institute of Science, Bangalore 560012 (India); Sil, Anomitra [Center For Nano Science And Engineering, Indian Institute of Science, Bangalore 560012 (India); Bid, Aveek, E-mail: aveek.bid@physics.iisc.ernet.in [Department of Physics, Indian Institute of Science, Bangalore 560012 (India)

    2017-04-15

    We have carried out extensive comparative studies of the structural and transport properties of CaRuO{sub 3} thin films grown under various oxygen pressure. We find that the preferred orientation and surface roughness of the films are strongly affected by the oxygen partial pressure during growth. This in turn affects the electrical and magnetic properties of the films. Films grown under high oxygen pressure have the least surface roughness and show transport characteristics of a good metal down to the lowest temperature measured. On the other hand, films grown under low oxygen pressures have high degree of surface roughness and show signatures of ferromagnetism. We could verify that the low frequency resistance fluctuations (noise) in these films arise due to thermally activated fluctuations of local defects and that the defect density matches with the level of disorder seen in the films through structural characterizations.

  12. The Effects of Different Electron-Phonon Couplings on the Spectral and Transport Properties of Small Molecule Single-Crystal Organic Semiconductors

    Directory of Open Access Journals (Sweden)

    Carmine Antonio Perroni

    2014-03-01

    Full Text Available Spectral and transport properties of small molecule single-crystal organic semiconductors have been theoretically analyzed focusing on oligoacenes, in particular on the series from naphthalene to rubrene and pentacene, aiming to show that the inclusion of different electron-phonon couplings is of paramount importance to interpret accurately the properties of prototype organic semiconductors. While in the case of rubrene, the coupling between charge carriers and low frequency inter-molecular modes is sufficient for a satisfactory description of spectral and transport properties, the inclusion of electron coupling to both low-frequency inter-molecular and high-frequency intra-molecular vibrational modes is needed to account for the temperature dependence of transport properties in smaller oligoacenes. For rubrene, a very accurate analysis in the relevant experimental configuration has allowed for the clarification of the origin of the temperature-dependent mobility observed in these organic semiconductors. With increasing temperature, the chemical potential moves into the tail of the density of states corresponding to localized states, but this is not enough to drive the system into an insulating state. The mobility along different crystallographic directions has been calculated, including vertex corrections that give rise to a transport lifetime one order of magnitude smaller than the spectral lifetime of the states involved in the transport mechanism. The mobility always exhibits a power-law behavior as a function of temperature, in agreement with experiments in rubrene. In systems gated with polarizable dielectrics, the electron coupling to interface vibrational modes of the gate has to be included in addition to the intrinsic electron-phonon interaction. While the intrinsic bulk electron-phonon interaction affects the behavior of mobility in the coherent regime below room temperature, the coupling with interface modes is dominant for the

  13. 45 CFR 73.735-502 - Permissible acceptance of gifts, entertainment, and favors.

    Science.gov (United States)

    2010-10-01

    ... acceptance of gifts, entertainment, and favors. (a) An employee may accept a gift, gratuity, favor, entertainment, loan or similar favor of monetary value which stems from a family relationship such as that between the employee and his or her parents, spouse or children, if it is clear that the relationship is...

  14. i-CELIV technique for investigation of charge carriers transport properties

    Energy Technology Data Exchange (ETDEWEB)

    Važgėla, J., E-mail: julius.vazgela@ff.vu.lt; Genevičius, K.; Juška, G.

    2016-10-20

    The extraction of the injected charge carriers by linearly increasing voltage (i-CELIV) is a promising method for separate analysis of the holes and electrons transport properties in the bulk heterojunction layers. We are demonstrating how to establish the mobility dependence on the electric field and obtain more precise results by performing corrections in transit time by this technique. [6,6]-Phenyl C61 butyric acid methyl ester (PCBM) and poly[2,6-(4,4-bis-(2-ethylhexyl)-4H-cyclopenta [2,1-b;3,4-b′]dithiophene)-alt-4,7(2,1,3-benzothiadiazole)] (PCPDTBT) bulk heterojunctions with different blend ratios were experimentally tested with i-CELIV method. The hole and electron mobilities were found to be heavily imbalanced in the optimised 3:1 PCBM:PCPDTBT bulk heterojunction.

  15. Effect of thickness and cold substrate on transport properties of thermally evaporated CdTe thin films

    International Nuclear Information System (INIS)

    El-Mongy, A.Abd; Hashem, H.M.; Ramadan, A.A.

    2005-01-01

    The correlation between the structural characteristics (stoichiometry and crystallite size) of CdTe films and their electronic transport properties were the aims of the present study to bring attention to the dual importance of grain size and conversion of the semiconductivity type with changing film thickness. Two main parameters were considered: the substrate temperature and film thickness. Transport properties were influenced by grain boundaries as well as by native doping. Optical measurements showed two main direct transitions at energies: E 1 ∼1.55 eV (fundamental gap) and E 2 ∼2.49 eV (due to valence band splitting). Both transitions were found to be thickness dependent with a marked change at a film thickness of about 300 nm. In the case of low substrate temperature, the scaling relation between resistivity and grain size showed a deviation from linear behavior at a size of 20 nm and the transmission coefficient is reduced. Also, the deposition on cold substrate enhanced both dark and photoconductivity for films of thickness ≥300 nm. It is also proved that the carrier transport was affected by the transmission coef-ficient for carriers to pass a single grain boundary as well as the number of grain boundaries per mean free path. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Effect of thickness and cold substrate on transport properties of thermally evaporated CdTe thin films

    Energy Technology Data Exchange (ETDEWEB)

    El-Mongy, A.Abd; Hashem, H.M.; Ramadan, A.A. [Physics Department, Faculty of Science, Helwan University, Helwan, Cairo (Egypt)

    2005-08-01

    The correlation between the structural characteristics (stoichiometry and crystallite size) of CdTe films and their electronic transport properties were the aims of the present study to bring attention to the dual importance of grain size and conversion of the semiconductivity type with changing film thickness. Two main parameters were considered: the substrate temperature and film thickness. Transport properties were influenced by grain boundaries as well as by native doping. Optical measurements showed two main direct transitions at energies: E{sub 1} {approx}1.55 eV (fundamental gap) and E{sub 2}{approx}2.49 eV (due to valence band splitting). Both transitions were found to be thickness dependent with a marked change at a film thickness of about 300 nm. In the case of low substrate temperature, the scaling relation between resistivity and grain size showed a deviation from linear behavior at a size of 20 nm and the transmission coefficient is reduced. Also, the deposition on cold substrate enhanced both dark and photoconductivity for films of thickness {>=}300 nm. It is also proved that the carrier transport was affected by the transmission coef-ficient for carriers to pass a single grain boundary as well as the number of grain boundaries per mean free path. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Synthesis, crystal structure, and transport properties of Fe substituted rhombohedral skutterudite derivatives Co4−xFexGe6Se6

    KAUST Repository

    Wei, Kaya

    2014-11-01

    We report on the synthesis and low temperature transport properties of rhombohedral derivatives of the cubic skutterudite CoSb3, namely Co4-xFexGe6Se6 with x = 0, 1, 1.5. Rietveld refinement and elemental analyses were used to identify the structure and stoichiometry of the compositions. The thermal conductivity was investigated by employing the Debye model with different phonon-scattering parameters. This investigation demonstrates that Fe substitution is feasible in these skutterudite derivatives and can significantly affect the transport properties as compared with Co4Ge6Se6. © 2014 Elsevier B.V. All rights reserved.

  18. Synthesis, crystal structure, and transport properties of Fe substituted rhombohedral skutterudite derivatives Co4−xFexGe6Se6

    KAUST Repository

    Wei, Kaya; Dong, Yongkwan; Puneet, Pooja; Tritt, Terry M.; Nolas, George S.

    2014-01-01

    We report on the synthesis and low temperature transport properties of rhombohedral derivatives of the cubic skutterudite CoSb3, namely Co4-xFexGe6Se6 with x = 0, 1, 1.5. Rietveld refinement and elemental analyses were used to identify the structure and stoichiometry of the compositions. The thermal conductivity was investigated by employing the Debye model with different phonon-scattering parameters. This investigation demonstrates that Fe substitution is feasible in these skutterudite derivatives and can significantly affect the transport properties as compared with Co4Ge6Se6. © 2014 Elsevier B.V. All rights reserved.

  19. D2O, Computation of Thermodynamic and Transport Properties of Heavy Water

    International Nuclear Information System (INIS)

    Durmayaz, Ahmet

    2000-01-01

    1 - Description of program or function: A computer program for the fast computation of the thermodynamic and transport properties of heavy water (D 2 O) at saturation, in subcooled liquid and superheated vapor states. Specific volume (or density), specific enthalpy, specific entropy, constant-pressure specific heat and temperature at saturation are calculated by a number of piecewise continuous approximation functions of (and their derivatives are calculated with respect to) pressure whereas pressure at saturation is calculated by a piecewise continuous approximation function of temperature for heavy water. Density in subcooled liquid state, specific volume in super-heated vapor state, specific enthalpy, specific entropy and constant-pressure specific heat in both of these states are calculated by some piecewise continuous approximation functions of pressure and temperature for heavy water. The correlations used in the calculation of these thermodynamic properties of heavy water were derived by fitting some appropriate curves to the data given in the steam tables by Hill et al (1981). The whole set of correlations and the approximation method used in their derivation are presented by Durmayaz (1997). Dynamic viscosity and thermal conductivity for heavy water are calculated as functions of temperature and density with the correlations given by Hill et al (1981), by Matsunaga and Nagashima (1983) and by Kestin et al (1984). Surface tension for heavy water is calculated as a function of temperature with the correlation given by Crabtree and Siman-Tov (1993). 2 - Methods: A group of pressure-enthalpy (P-h) pairs can be given in an input data file or assigned in the main program without knowing the state in which fluid takes place. In this case, first, the enthalpies at saturation corresponding to the given pressure are computed. Second, the state is determined by comparing the given enthalpy to the saturation enthalpies. Then, the properties are computed. Program D 2 O

  20. Nanofluidics thermodynamic and transport properties

    CERN Document Server

    Michaelides, Efstathios E (Stathis)

    2014-01-01

    This volume offers a comprehensive examination of the subject of heat and mass transfer with nanofluids as well as a critical review of the past and recent research projects in this area. Emphasis is placed on the fundamentals of the transport processes using particle-fluid suspensions, such as nanofluids. The nanofluid research is examined and presented in a holistic way using a great deal of our experience with the subjects of continuum mechanics, statistical thermodynamics, and non-equilibrium thermodynamics of transport processes. Using a thorough database, the experimental, analytical, and numerical advances of recent research in nanofluids are critically examined and connected to past research with medium and fine particles as well as to functional engineering systems. Promising applications and technological issues of heat/mass transfer system design with nanofluids are also discussed. This book also: Provides a deep scientific analysis of nanofluids using classical thermodynamics and statistical therm...

  1. Bulk-Like Electrical Properties Induced by Contact-Limited Charge Transport in Organic Diodes: Revised Space Charge Limited Current

    KAUST Repository

    Xu, Guangwei; Gao, Nan; Lu, Congyan; Wang, Wei; Ji, Zhuoyu; Bi, Chong; Han, Zhiheng; Lu, Nianduan; Yang, Guanhua; Li, Yuan; Liu, Qi; Li, Ling; Liu, Ming

    2018-01-01

    , the charge transport properties of organic diodes are usually characterized by probing the current–voltage (I–V) curves of the devices. However, to unveil the landscape of the underlying potential/charge distribution, which essentially determines the I

  2. Tritium permeation evaluation through vertical target of divertor based on recent tritium transport properties

    OpenAIRE

    中村 博文; 西 正孝

    2003-01-01

    Re-evaluation of tritium permeation through vertical target of divertor under the ITER operation condition was carried out using tritium transport properties in the candidate materials such as the diffusion coefficient and the trapping factors in tungsten for armor, and the surface recombination coefficient on copper for the heat sink obtained by authors' recent investigation (authors' data), which simulated the plasma-facing conditions of ITER. Evaluation with the data set of previous evalua...

  3. Transport properties of diazonium functionalized graphene: chiral two-dimensional hole gases

    International Nuclear Information System (INIS)

    Huang Ping; Jing Long; Zhu Huarui; Gao Xueyun

    2012-01-01

    The electric transport properties of diazonium functionalized graphene (DFG) were investigated. The temperature dependence of the resistivity (ρ-T) and the Shubnikov-de Haas oscillation of the DFG revealed two-dimensional hole gas (2DHG) behaviors. The DFGs exhibited unusual weak localization behaviors in which both inelastic and chirality-breaking elastic scattering processes should be taken into account, meaning that graphene chirality was maintained. Because of the giant decrease in the diffusion coefficient, the scattering rates remained relatively low in the presence of suppression of the scattering lengths. The decreases of both the mean free path and the Fermi velocity were responsible for the suppression of the diffusion coefficient and hence the charge mobility. (paper)

  4. Effect of high frequency field on the transport properties of superlattice

    International Nuclear Information System (INIS)

    Mensah, S.Y.

    1992-10-01

    Theoretical study of the transport properties of semiconductor superlattice (SL) in the presence of external electric field E(t) has been investigated with the help of Boltzmann's equation. The model adopted agrees fairly well with experimental work as well as Monte Carlo simulation. Among the phenomena observed are the induced self transparency, absolute negative conductivity and the negative differential conductivity. In the case of negative differential conductivity (NDC) it is observed that it does also occur under the a.c. and d.c electric field but appears only when ωτ 0 is equal to the amplitude of the a.c. field E 1 and the peak decreases with an increase in E 1 . (author). 20 refs, 1 fig

  5. Thermodynamics of competitive molecular channel transport: application to artificial nuclear pores.

    Science.gov (United States)

    Bauer, Wolfgang R; Nadler, Walter

    2010-12-13

    In an analytical model channel transport is analyzed as a function of key parameters, determining efficiency and selectivity of particle transport in a competitive molecular environment. These key parameters are the concentration of particles, solvent-channel exchange dynamics, as well as particle-in-channel- and interparticle interaction. These parameters are explicitly related to translocation dynamics and channel occupation probability. Slowing down the exchange dynamics at the channel ends, or elevating the particle concentration reduces the in-channel binding strength necessary to maintain maximum transport. Optimized in-channel interaction may even shift from binding to repulsion. A simple equation gives the interrelation of access dynamics and concentration at this transition point. The model is readily transferred to competitive transport of different species, each of them having their individual in-channel affinity. Combinations of channel affinities are determined which differentially favor selectivity of certain species on the cost of others. Selectivity for a species increases if its in-channel binding enhances the species' translocation probability when compared to that of the other species. Selectivity increases particularly for a wide binding site, long channels, and fast access dynamics. Recent experiments on competitive transport of in-channel binding and inert molecules through artificial nuclear pores serve as a paradigm for our model. It explains qualitatively and quantitatively how binding molecules are favored for transport at the cost of the transport of inert molecules.

  6. Container transport direct call – logistic solution to container transport via Estonia

    Directory of Open Access Journals (Sweden)

    A. Tolli

    2007-12-01

    Full Text Available Container transport in the world grows up to 12 % every year. Chinese container transport contributes majority of container flows in international container transport. Many world seaports compete for Chinese container flows and make eff orts to get investments and direct calls from China to their ports. Estonia has a possibility to decrease its large dependence and risks due to the transit of oil and oil products and coal with the help of container flows from China. In addition to a favorable geographical location Estonia has several other important arguments, like suffi cient land in the harbours for developing a container terminal to launch extensive container transport transit from China. Port of St. Petersburg, container transport port closest to Estonia by the Baltic Sea, is overloaded. Estonia can compete for container flows directed to Moscow, Nizhniy Novgorod, Kazan and Kaluga. Construction of an international high-tech container terminal in Port of Tallinn serves as one important precondition for directing Russian transit container flows through Estonia. Such a container terminal could service also larger vessels and container flows from China. Container lines and container terminals operating as alliances are jointly able to substantially increase container flows through countries.

  7. Functional properties and differential mode of regulation of the nitrate transporter from a plant symbiotic ascomycete

    Science.gov (United States)

    Montanini, Barbara; Viscomi, Arturo R.; Bolchi, Angelo; Martin, Yusé; Siverio, José M.; Balestrini, Raffaella; Bonfante, Paola; Ottonello, Simone

    2005-01-01

    Nitrogen assimilation by plant symbiotic fungi plays a central role in the mutualistic interaction established by these organisms, as well as in nitrogen flux in a variety of soils. In the present study, we report on the functional properties, structural organization and distinctive mode of regulation of TbNrt2 (Tuber borchii NRT2 family transporter), the nitrate transporter of the mycorrhizal ascomycete T. borchii. As revealed by experiments conducted in a nitrate-uptake-defective mutant of the yeast Hansenula polymorpha, TbNrt2 is a high-affinity transporter (Km=4.7 μM nitrate) that is bispecific for nitrate and nitrite. It is expressed in free-living mycelia and in mycorrhizae, where it preferentially accumulates in the plasma membrane of root-contacting hyphae. The TbNrt2 mRNA, which is transcribed from a single-copy gene clustered with the nitrate reductase gene in the T. borchii genome, was specifically up-regulated following transfer of mycelia to nitrate- (or nitrite)-containing medium. However, at variance with the strict nitrate-dependent induction commonly observed in other organisms, TbNrt2 was also up-regulated (at both the mRNA and the protein level) following transfer to a nitrogen-free medium. This unusual mode of regulation differs from that of the adjacent nitrate reductase gene, which was expressed at basal levels under nitrogen deprivation conditions and required nitrate for induction. The functional and expression properties, described in the present study, delineate TbNrt2 as a versatile transporter that may be especially suited to cope with the fluctuating (and often low) mineral nitrogen concentrations found in most natural, especially forest, soils. PMID:16201972

  8. Electrical and optical transport properties of single layer WSe2

    Science.gov (United States)

    Tahir, M.

    2018-03-01

    The electronic properties of single layer WSe2 are distinct from the famous graphene due to strong spin orbit coupling, a huge band gap and an anisotropic lifting of the degeneracy of the valley degree of freedom under Zeeman field. In this work, band structure of the monolayer WSe2 is evaluated in the presence of spin and valley Zeeman fields to study the electrical and optical transport properties. Using Kubo formalism, an explicit expression for the electrical Hall conductivity is examined at finite temperatures. The electrical longitudinal conductivity is also evaluated. Further, the longitudinal and Hall optical conductivities are analyzed. It is observed that the contributions of the spin-up and spin-down states to the power absorption spectrum depend on the valley index. The numerical results exhibit absorption peaks as a function of photon energy, ℏ ω, in the range ∼ 1.5 -2 eV. Also, the optical response lies in the visible frequency range in contrast to the conventional two-dimensional electron gas or graphene where the response is limited to terahertz regime. This ability to isolate carriers in spin-valley coupled structures may make WSe2 a promising candidate for future spintronics, valleytronics and optical devices.

  9. Characterization of thermal, optical and carrier transport properties of porous silicon using the photoacoustic technique

    International Nuclear Information System (INIS)

    Sheng, Chan Kok; Mahmood Mat Yunus, W.; Yunus, Wan Md. Zin Wan; Abidin Talib, Zainal; Kassim, Anuar

    2008-01-01

    In this work, the porous silicon layer was prepared by the electrochemical anodization etching process on n-type and p-type silicon wafers. The formation of the porous layer has been identified by photoluminescence and SEM measurements. The optical absorption, energy gap, carrier transport and thermal properties of n-type and p-type porous silicon layers were investigated by analyzing the experimental data from photoacoustic measurements. The values of thermal diffusivity, energy gap and carrier transport properties have been found to be porosity-dependent. The energy band gap of n-type and p-type porous silicon layers was higher than the energy band gap obtained for silicon substrate (1.11 eV). In the range of porosity (50-76%) of the studies, our results found that the optical band-gap energy of p-type porous silicon (1.80-2.00 eV) was higher than that of the n-type porous silicon layer (1.70-1.86 eV). The thermal diffusivity value of the n-type porous layer was found to be higher than that of the p-type and both were observed to increase linearly with increasing layer porosity

  10. Transport Properties of Bulk Thermoelectrics—An International Round-Robin Study, Part I: Seebeck Coefficient and Electrical Resistivity

    Science.gov (United States)

    Wang, Hsin; Porter, Wallace D.; Böttner, Harald; König, Jan; Chen, Lidong; Bai, Shengqiang; Tritt, Terry M.; Mayolet, Alex; Senawiratne, Jayantha; Smith, Charlene; Harris, Fred; Gilbert, Patricia; Sharp, Jeff W.; Lo, Jason; Kleinke, Holger; Kiss, Laszlo

    2013-04-01

    Recent research and development of high-temperature thermoelectric materials has demonstrated great potential for converting automobile exhaust heat directly into electricity. Thermoelectrics based on classic bismuth telluride have also started to impact the automotive industry by enhancing air-conditioning efficiency and integrated cabin climate control. In addition to engineering challenges of making reliable and efficient devices to withstand thermal and mechanical cycling, the remaining issues in thermoelectric power generation and refrigeration are mostly materials related. The dimensionless figure of merit, ZT, still needs to be improved from the current value of 1.0 to 1.5 to above 2.0 to be competitive with other alternative technologies. In the meantime, the thermoelectric community could greatly benefit from the development of international test standards, improved test methods, and better characterization tools. Internationally, thermoelectrics have been recognized by many countries as a key component for improving energy efficiency. The International Energy Agency (IEA) group under the Implementing Agreement for Advanced Materials for Transportation (AMT) identified thermoelectric materials as an important area in 2009. This paper is part I of the international round-robin testing of transport properties of bulk thermoelectrics. The main foci in part I are the measurement of two electronic transport properties: Seebeck coefficient and electrical resistivity.

  11. Multi-scales modeling of reactive transport mechanisms. Impact on petrophysical properties during CO2 storage

    International Nuclear Information System (INIS)

    Varloteaux, C.

    2012-01-01

    The geo-sequestration of carbon dioxide (CO 2 ) is an attractive option to reduce the emission of greenhouse gases. Within carbonate reservoirs, acidification of brine in place can occur during CO 2 injection. This acidification leads to mineral dissolution which can modify the transport properties of a solute in porous media. The aim of this study is to quantify the impact of reactive transport on a solute distribution and on the structural modification induced by the reaction from the pore to the reservoir scale. This study is focused on reactive transport problem in the case of single phase flow in the limit of long time. To do so, we used a multi-scale up-scaling method that takes into account (i) the local scale, where flow, reaction and transport are known; (ii) the pore scale, where the reactive transport is addressed by using averaged formulation of the local equations; (iii) the Darcy scale (also called core scale), where the structure of the rock is taken into account by using a three-dimensions network of pore-bodies connected by pore-throats; and (iv) the reservoir scale, where physical phenomenon, within each cell of the reservoir model, are taken into account by introducing macroscopic coefficients deduced from the study of these phenomenon at the Darcy scale, such as the permeability, the apparent reaction rate, the solute apparent velocity and dispersion. (author)

  12. Electrical transport properties of graphene nanowalls grown at low temperature using plasma enhanced chemical vapor deposition

    Science.gov (United States)

    Zhao, Rong; Ahktar, Meysam; Alruqi, Adel; Dharmasena, Ruchira; Jasinski, Jacek B.; Thantirige, Rukshan M.; Sumanasekera, Gamini U.

    2017-05-01

    In this work, we report the electrical transport properties of uniform and vertically oriented graphene (graphene nanowalls) directly synthesized on multiple substrates including glass, Si/SiO2 wafers, and copper foils using radio-frequency plasma enhanced chemical vapor deposition (PECVD) with methane (CH4) as the precursor at relatively low temperatures. The temperature for optimum growth was established with the aid of transmission electron microscopy, scanning electron microscopy, and Raman spectroscopy. This approach offers means for low-cost graphene nanowalls growth on an arbitrary substrate with the added advantage of transfer-free device fabrication. The temperature dependence of the electrical transport properties (resistivity and thermopower) were studied in the temperature range, 30-300 K and analyzed with a combination of 2D-variable range hopping (VRH) and thermally activated (TA) conduction mechanisms. An anomalous temperature dependence of the thermopower was observed for all the samples and explained with a combination of a diffusion term having a linear temperature dependence plus a term with an inverse temperature dependence.

  13. The properties of the outer membrane localized Lipid A transporter LptD

    International Nuclear Information System (INIS)

    Haarmann, Raimund; Ibrahim, Mohamed; Stevanovic, Mara; Bredemeier, Rolf; Schleiff, Enrico

    2010-01-01

    Gram-negative bacteria are surrounded by a cell wall including the outer membrane. The outer membrane is composed of two distinct monolayers where the outer layer contains lipopolysaccharides (LPS) with the non-phospholipid Lipid A as the core. The synthesis of Lipid A is initiated in the cytosol and thereby the molecule has to be transported across the inner and outer membranes. The β-barrel lipopolysaccharide-assembly protein D (LptD) was discovered to be involved in the transfer of Lipid A into the outer membrane of Gram-negative bacteria. At present the molecular procedure of lipid transfer across the outer membrane remains unknown. Here we approached the functionality of the transfer system by an electrophysiological analysis of the outer membrane protein from Escherichia coli named ecLptD. In vitro the protein shows cation selectivity and has an estimated pore diameter of about 1.8 nm. Addition of Lipid A induces a transition of the open state to a sub-conductance state with two independent off-rates, which might suggest that LptD is able to bind and transport the molecule in vitro. To generalize our findings with respect to the Lipid A transport system of other Gram-negative bacteria we have explored the existence of the proteins involved in this pathway by bioinformatic means. We were able to identify the membrane-inserted components of the Lipid A transport system in all Gram-negative bacteria, whereas the periplasmic components appear to be species-specific. The LptD proteins of different bacteria are characterized by their periplasmic N-terminal domain and a C-terminal barrel region. The latter shows distinct sequence properties, particularly in LptD proteins of cyanobacteria, and this specific domain can be found in plant proteins as well. By electrophysiological experiments on LptD from Anabaena sp. PCC 7120 we are able to confirm the functional relation of anaLptD to Lipid A transport.

  14. Strain induced effects on the transport properties of metamorphic InAlAs/InGaAs quantum wells

    International Nuclear Information System (INIS)

    Capotondi, F.; Biasiol, G.; Ercolani, D.; Grillo, V.; Carlino, E.; Romanato, F.; Sorba, L.

    2005-01-01

    The relationship between structural and low-temperature transport properties is explored for In x Al 1 - x As/In x Ga 1 - x As metamorphic quantum wells with x > 0.7 grown on GaAs by molecular beam epitaxy. Different step-graded buffer layers are used to gradually adapt the in-plane lattice parameter from the GaAs towards the InGaAs value. We show that using buffer layers with a suitable maximum In content the residual compressive strain in the quantum well region can be strongly reduced. Samples with virtually no residual strain in the quantum well region show a low-temperature electron mobility up to 29 m 2 /V s while for samples with higher residual compressive strain the low-temperature mobility is reduced. Furthermore, for samples with buffers inducing a tensile strain in the quantum well region, deep grooves are observed on the surface, and in correspondence we notice a strong deterioration of the low-temperature transport properties

  15. Effective interactions, transport properties, and elementary excitations in helium three-helium four mixtures

    International Nuclear Information System (INIS)

    Hsu, W.

    1984-01-01

    A unified theory of effective interaction, elementary excitations, transport properties, and possible superfluidity of 3 He- 4 He mixtures was developed. The basic approach is patterned after that of Aldrich and Pines (AP) for pure 4 He and 3 He, in which the consequence of the strong interactions in 3 He and 4 He is described in terms of self-consistent fields. The strength of these fields are determined by physical arguments, static measurement, and sum rule considerations. A set of pseudopotentials was developed to describe the 3 He- 3 He and 3 He- 4 He interactions. In the long wavelength and zero concentration limit, these potentials are obtained by the thermodynamic argument of Bardeen, Baym, and Pines. At finite concentration and finite momentum transfer, these potentials are obtained with the aids of a scaling law and the AP pseudopotential theory. From these pseudopotentials, the scattering amplitudes, transport coefficients, and normal-superfluid transition temperature are calculated as functions of 3 He concentration. Good agreement is obtained between theory and experiment for low temperature transport coefficients, and the 3 He superfluid transition temperature is predicted to be approx. -80 K. The change in the density fluctuation excitation spectrum of 4 He atoms in 3 He- 4 He mixtures is calculated

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

    Science.gov (United States)

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

    2014-03-01

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

  17. Effects of Te inclusions on charge-carrier transport properties in CdZnTe radiation detectors

    International Nuclear Information System (INIS)

    Gu, Yaxu; Rong, Caicai; Xu, Yadong; Shen, Hao; Zha, Gangqiang; Wang, Ning; Lv, Haoyan; Li, Xinyi; Wei, Dengke; Jie, Wanqi

    2015-01-01

    Highlights: • This work reveals the behaviors of Te inclusion in affecting charge-carrier transport properties in CdZnTe detectors for the first time and analysis the mechanism therein. • The results show that charge collection efficiencies in Te inclusion degraded regions experience fast ascent under low biases and slow descent at high applied biases, which deviates from the Hecht rule. • This phenomenon is attributed to the competitive influence of two mechanisms under different biases, namely charge carrier trapping due to uniformly distributed point defects and Te inclusion induced transient charge loss. • A modified Hecht equation is further proposed to explain the effects of high-density localized defects, say Te inclusions, on the charge collection efficiency. • We believe that this research has wide appeal to analyze the macroscopic defects and their influence on charge transport properties in semiconductor radiation detectors. - Abstract: The influence of tellurium (Te) inclusions on the charge collection efficiency in cadmium zinc telluride (CdZnTe or CZT) detectors has been investigated using ion beam induced charge (IBIC) technique. Combining the analysis of infrared transmittance image, most of the low charge collection areas in the IBIC images prove the existence of Te inclusions. To further clarify the role of Te inclusions on charge transport properties, bias dependent local IBIC scan was performed on Te inclusion related regions from 20 V to 500 V. The result shows that charge collection efficiencies in Te inclusion degraded regions experience fast ascent under low biases and slow descent at high applied biases, which deviates from Hecht rule. This behavior is attributed to the competitive influence of two mechanisms under different biases, namely charge carrier trapping due to uniformly distributed point defects and Te inclusion induced transient charge loss. A modified Hecht equation is further proposed to explain the effects of high

  18. Structural Properties of the Brazilian Air Transportation Network.

    Science.gov (United States)

    Couto, Guilherme S; da Silva, Ana Paula Couto; Ruiz, Linnyer B; Benevenuto, Fabrício

    2015-09-01

    The air transportation network in a country has a great impact on the local, national and global economy. In this paper, we analyze the air transportation network in Brazil with complex network features to better understand its characteristics. In our analysis, we built networks composed either by national or by international flights. We also consider the network when both types of flights are put together. Interesting conclusions emerge from our analysis. For instance, Viracopos Airport (Campinas City) is the most central and connected airport on the national flights network. Any operational problem in this airport separates the Brazilian national network into six distinct subnetworks. Moreover, the Brazilian air transportation network exhibits small world characteristics and national connections network follows a power law distribution. Therefore, our analysis sheds light on the current Brazilian air transportation infrastructure, bringing a novel understanding that may help face the recent fast growth in the usage of the Brazilian transport network.

  19. Structural Properties of the Brazilian Air Transportation Network

    Directory of Open Access Journals (Sweden)

    GUILHERME S. COUTO

    2015-09-01

    Full Text Available The air transportation network in a country has a great impact on the local, national and global economy. In this paper, we analyze the air transportation network in Brazil with complex network features to better understand its characteristics. In our analysis, we built networks composed either by national or by international flights. We also consider the network when both types of flights are put together. Interesting conclusions emerge from our analysis. For instance, Viracopos Airport (Campinas City is the most central and connected airport on the national flights network. Any operational problem in this airport separates the Brazilian national network into six distinct subnetworks. Moreover, the Brazilian air transportation network exhibits small world characteristics and national connections network follows a power law distribution. Therefore, our analysis sheds light on the current Brazilian air transportation infrastructure, bringing a novel understanding that may help face the recent fast growth in the usage of the Brazilian transport network.

  20. Magnetic and transport properties of Ni2MnGa-BaTiO3 metal-insulator particulate composite with percolation threshold

    International Nuclear Information System (INIS)

    Won, C.J.; Kambale, R.C.; Hur, N.

    2011-01-01

    Highlights: → The Ni 2 MnGa-BaTiO 3 type composites were first time prepared by solid state reaction. → Temperature dependent magnetic properties reveal two kinds of transitions in these composite. → The present materials show negative magnetoresistance effect. → The present studies on magnetic and electrical transport of metal/insulator (NMG/BTO) composites shows the resistivity change associated to filamentary conducting path at percolation threshold. - Abstract: Here we report the magnetic and transport properties of the metal/insulator (f NMG )Ni 2 MnGa/(1 - f NMG )BaTiO 3 composites. The X-ray diffraction study confirms the formation of both the phases in composite. The microstructure reveals that the conducting Ni 2 MnGa particles are well dispersed in an insulating BaTiO 3 matrix. Temperature dependent magnetization shows two transitions one above 300 K and other below 150 K. The temperature dependence resistivity near the percolation threshold f NMG = 0.4 had drastic changes which is higher than the f NMG = 0.5. Also the negative magnetoresistance effect was observed for the studied materials. We suggest that magnetic and transport properties at the percolation threshold can be adjusted by the strain from the surrounding insulator particle.

  1. Comment on ''Walker diffusion method for calculation of transport properties of composite materials''

    International Nuclear Information System (INIS)

    Kim, In Chan; Cule, Dinko; Torquato, Salvatore

    2000-01-01

    In a recent paper [C. DeW. Van Siclen, Phys. Rev. E 59, 2804 (1999)], a random-walk algorithm was proposed as the best method to calculate transport properties of composite materials. It was claimed that the method is applicable both to discrete and continuum systems. The limitations of the proposed algorithm are analyzed. We show that the algorithm does not capture the peculiarities of continuum systems (e.g., ''necks'' or ''choke points'') and we argue that it is the stochastic analog of the finite-difference method. (c) 2000 The American Physical Society

  2. Correction: The effect of recombination under short-circuit conditions on the determination of charge transport properties in nanostructured photoelectrodes.

    Science.gov (United States)

    Villanueva-Cab, J; Anta, J A; Oskam, G

    2016-05-28

    Correction for 'The effect of recombination under short-circuit conditions on the determination of charge transport properties in nanostructured photoelectrodes' by J. Villanueva-Cab et al., Phys. Chem. Chem. Phys., 2016, 18, 2303-2308.

  3. Electron transport determines the electrochemical properties of tetrahedral amorphous carbon (ta-C) thin films

    International Nuclear Information System (INIS)

    Palomäki, Tommi; Wester, Niklas; Caro, Miguel A.; Sainio, Sami; Protopopova, Vera; Koskinen, Jari; Laurila, Tomi

    2017-01-01

    Amorphous carbon based electrodes are very promising for electrochemical sensing applications. In order to better understand their structure-function relationship, the effect of film thickness on the electrochemical properties of tetrahedral amorphous carbon (ta-C) electrodes was investigated. ta-C thin films of 7, 15, 30, 50 and 100 nm were characterized in detail with Raman spectroscopy, transmission electron microscopy (TEM), conductive atomic force microscopy (c-AFM), scanning tunneling spectroscopy (STS) and X-ray absorption spectroscopy (XAS) to assess (i) the surface properties of the films, (ii) the effect of film thickness on their structure and electrical properties and (iii) the subsequent correlation with their electrochemistry. The electrochemical properties were investigated by cyclic voltammetry (CV) using two different outer-sphere redox probes, Ru(NH 3 ) 6 3+/2+ and FcMeOH, and by electrochemical impedance spectroscopy (EIS). Computational simulations using density functional theory (DFT) were carried out to rationalize the experimental findings. The characterization results showed that the sp 2 /sp 3 ratio increased with decreasing ta-C film thickness. This correlated with a decrease in mobility gap value and an increase in the average current through the films, which was also consistent with the computational results. XAS indicated that the surface of the ta-C films was always identical and composed of a sp 2 -rich layer. The CV measurements indicated reversible reaction kinetics for both outer-sphere redox probes at 7 and 15 nm ta-C films with a change to quasi-reversible behavior at a thickness of around 30 nm. The charge transfer resistance, obtained from EIS measurements, decreased with decreasing film thickness in accordance with the CV results. Based on the characterization and electrochemical results, we conclude that the reaction kinetics in the case of outer-sphere redox systems is determined mainly by the electron transport through the

  4. Electronic band structure, magnetic, transport and thermodynamic properties of In-filled skutterudites InxCo4Sb12

    International Nuclear Information System (INIS)

    Leszczynski, J; Da Ros, V; Lenoir, B; Dauscher, A; Candolfi, C; Masschelein, P; Hejtmanek, J; Kutorasinski, K; Tobola, J; Smith, R I; Stiewe, C; Müller, E

    2013-01-01

    The thermoelectric and thermodynamic properties of polycrystalline In x Co 4 Sb 12 (0.0 ⩽ x ⩽ 0.26) skutterudites were investigated and analysed between 2 and 800 K by means of electrical resistivity, thermopower, thermal conductivity and specific heat measurements. Hall effect, sound velocity and thermal expansion measurements were also made in order to gain insights into the transport and elastic properties of these compounds. The impact of the In filling on the crystal structure as well as the thermal dynamics of the In atoms were tracked down to 4 K using powder neutron diffraction experiments. Analyses of the transport data were compared with the evolution of the electronic band structure with x determined theoretically within the Korringa–Kohn–Rostoker method with the coherent potential approximation. These calculations indicate that In gives rise to a remarkably large p-like density of states located at the conduction band edge. The electrical properties show typical trends of heavily doped semiconductors regardless of the In content. The thermal transport in CoSb 3 is strongly influenced by the presence of In in the voids of the crystal structure resulting in a drop in the lattice thermal conductivity values in the whole temperature range. The low value of the Grüneisen parameter suggests that this decrease mainly originates from enhanced mass-fluctuations and point-defect scattering mechanisms. The highest thermoelectric figure of merit ZT ∼ 1.0 at 750 K was achieved at the maximum In filling fraction, i.e. for x = 0.26. (paper)

  5. A favorable course of palliative sedation: searching for indicators using caregivers' perspectives.

    Science.gov (United States)

    Brinkkemper, Tijn; Rietjens, Judith A C; Deliens, Luc; Ribbe, Miel W; Swart, Siebe J; Loer, Stephan A; Zuurmond, Wouter W A; Perez, Roberto S G M

    2015-03-01

    Comparing characteristics of a favorable sedation course during palliative sedation to a less favorable course based on the reports Dutch physicians and nurses. Cases identified as having a favorable sedation course less often concerned a male patient (P = .019 nurses' cases), reached the intended sedation depth significantly quicker (P sedation (P = .015 physicians' cases), and had a shorter total duration of sedation compared (P sedation course. A favorable course during palliative sedation seems more probable when health care professionals report on a (relatively) shorter time to reach the required depth of sedation and when a deeper level of sedation can be obtained. © The Author(s) 2013.

  6. Transport properties of YBa2Cu3O7/PrBa2Cu3O7 superlattices

    International Nuclear Information System (INIS)

    Jakob, G.; Hahn, T.; Stoelzel, C.; Tome-Rosa, C.; Adrian, H.

    1992-01-01

    We investigated the transport properties of high-quality YBa 2 Cu 3 O 7 /PrBa 2 Cu 3 O 7 superlattices. The exceptional structural order of the superlattices resulted in satellite peaks up to the ninth order in X-ray diffraction diagrams and high Tc values. We find high superconducting critical transport current densities j c even for ultrafine modulated superlattices which proves the existence of nearly continuous YBa 2 Cu 3 O 7 layers. The activation energy U is found to be constant or to have a linear temperatures dependence over a wide temperature range. (orig.)

  7. Fundamental aspects of plasma chemical physics transport

    CERN Document Server

    Capitelli, Mario; Laricchiuta, Annarita

    2013-01-01

    Fundamental Aspects of Plasma Chemical Physics: Tranpsort develops basic and advanced concepts of plasma transport to the modern treatment of the Chapman-Enskog method for the solution of the Boltzmann transport equation. The book invites the reader to consider actual problems of the transport of thermal plasmas with particular attention to the derivation of diffusion- and viscosity-type transport cross sections, stressing the role of resonant charge-exchange processes in affecting the diffusion-type collision calculation of viscosity-type collision integrals. A wide range of topics is then discussed including (1) the effect of non-equilibrium vibrational distributions on the transport of vibrational energy, (2) the role of electronically excited states in the transport properties of thermal plasmas, (3) the dependence of transport properties on the multitude of Saha equations for multi-temperature plasmas, and (4) the effect of the magnetic field on transport properties. Throughout the book, worked examples ...

  8. Theoretical studies on the effect of benzene and thiophene groups on the charge transport properties of Isoindigo and its derivatives

    Science.gov (United States)

    Jia, Xu-Bo; Wei, Hui-Ling; Shi, Ya-Ting; Shi, Ya-Rui; Liu, Yu-Fang

    2017-12-01

    In this work, the charge transport properties of Isoindigo (II) and its derivatives which have the same hexyl chain were theoretically investigated by the Marcus-Hush theory combined with density functional theory (DFT). Here we demonstrate that the changes of benzene and thiophene groups in molecular structure have an important influence on the charge transport properties of organic semiconductor. The benzene rings of II are replaced by thiophenes to form the thienoisoindigo (TII), and the addition of benzene rings to the TII form the benzothienoisoindigo (BTII). The results show that benzene rings and thiophenes change the chemical structure of crystal molecules, which lead to different molecule stacking, thus, the length of hydrogen bond was changed. A shorter intermolecular hydrogen bond lead to tighter molecular stacking, which reduces the center-to-center distance and enhances the ability of charge transfer. At the same time, we theoretically demonstrated that II and BTII are the ambipolar organic semiconductor. BTII has better carrier mobility. The hole mobility far greater than electron mobility in TII, which is p-type organic semiconductor. Among all hopping path, we find that the distance of face-to-face stacking in II is the shortest and the electron-transport electronic coupling Ve is the largest, but II has not a largest anisotropic mobility, because the reorganization energy has a greater influence on the mobility than the electronic coupling. This work is helpful for designing ambipolar organic semiconductor materials with higher charge transport properties by introducing benzene ring and thiophene.

  9. Magnetic tunnel structures: Transport properties controlled by bias, magnetic field, and microwave and optical radiation

    International Nuclear Information System (INIS)

    Volkov, N.V.; Eremin, E.V.; Tarasov, A.S.; Rautskii, M.V.; Varnakov, S.N.; Ovchinnikov, S.G.; Patrin, G.S.

    2012-01-01

    Different phenomena that give rise to a spin-polarized current in some systems with magnetic tunnel junctions are considered. In a manganite-based magnetic tunnel structure in CIP geometry, the effect of current-channel switching was observed, which causes bias-driven magnetoresistance, rf rectification, and the photoelectric effect. The second system under study, ferromagnetic/insulator/semiconductor, exhibits the features of the transport properties in CIP geometry that are also related to the current-channel switching effect. The described properties can be controlled by a bias, a magnetic field, and optical radiation. At last, the third system under consideration is a cooperative assembly of magnetic tunnel junctions. This system exhibits tunnel magnetoresistance and the magnetic-field-driven microwave detection effect.

  10. Investigations of transport properties of molten sodium fluoride using molecular dynamics simulations

    International Nuclear Information System (INIS)

    Chattaraj, D.; Dash, Smruti

    2013-01-01

    The thermal conductivity and coefficient of shear viscosity of molten sodium fluoride were calculated using Green-Kubo equilibrium molecular dynamics (EMD) simulation. The Green-Kubo method is an equilibrium technique based on the fluctuation-dissipation theorem of statistical thermodynamics. The canonical ensemble (N, V, T) was used in the MD simulation to obtain the transport properties of molten NaF. In this simulation, several state points were investigated using the Born-Meyer-Huggins-Tosi-Fumi interionic potential model. The electrostatic interactions present in this ionic fluid were calculated through the Ewald method. The results obtained in this study were found to be in good agreement with the reported experimental data. (author)

  11. Cordilleran metamorphic core complexes and their uranium favorability

    International Nuclear Information System (INIS)

    Coney, P.J.; Reynolds, S.J.

    1980-11-01

    The objective of this report is to provide a descriptive body of knowledge on Cordilleran metamorphic core complexes including their lithologic and structural characteristics, their distribution within the Cordillera, and their evolutionary history and tectonic setting. The occurrence of uranium in the context of possibility for uranium concentration is also examined. This volume contains appendices of the following: annotated bibliography of Cordilleran metamorphic core complexes; annotated bibliography of the uranium favorability of Cordilleran metamorphic core complexes; uranium occurrences in the Cordilleran metamorphic core complex belt; and geology, uranium favorability, uranium occurrences and tectonic maps of individual Cordilleran metamorphic core complexes; and locations, lithologic descriptions, petrographic information and analytical data for geochemical samples

  12. Photoacoustic study of the effect of doping concentration on the transport properties of GaAs epitaxial layers

    NARCIS (Netherlands)

    George, S.D.; Dilna, S.; Prasanth, R.; Radhakrishnan, P.; Vallabhan, C.P.G.; Nampoori, V.P.N.

    2003-01-01

    We report a photoacoustic (PA) study of the thermal and transport properties of a GaAs epitaxial layer doped with Si at varying doping concentration, grown on GaAs substrate by molecular beam epitaxy. The data are analyzed on the basis of Rosencwaig and Gersho's theory of the PA effect. The

  13. Electronic properties of mesoscopic graphene structures: Charge confinement and control of spin and charge transport

    Energy Technology Data Exchange (ETDEWEB)

    Rozhkov, A.V., E-mail: arozhkov@gmail.co [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412, Moscow (Russian Federation); Giavaras, G. [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Bliokh, Yury P. [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, Technion-Israel Institute of Technology, Haifa 32000 (Israel); Freilikher, Valentin [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, Bar-Ilan University, Ramat-Gan 52900 (Israel); Nori, Franco [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, University of Michigan, Ann Arbor, MI 48109-1040 (United States)

    2011-06-15

    This brief review discusses electronic properties of mesoscopic graphene-based structures. These allow controlling the confinement and transport of charge and spin; thus, they are of interest not only for fundamental research, but also for applications. The graphene-related topics covered here are: edges, nanoribbons, quantum dots, pn-junctions, pnp-structures, and quantum barriers and waveguides. This review is partly intended as a short introduction to graphene mesoscopics.

  14. Norepinephrine transporter blocker atomoxetine increases salivary alpha amylase

    NARCIS (Netherlands)

    Warren, C.M.; van den Brink, R.L.; Nieuwenhuis, S.; Bosch, J.A.

    It has been suggested that central norepinephrine (NE) activity may be inferred from increases in salivary alpha-amylase (SAA), but data in favor of this proposition are limited. We administered 40mg of atomoxetine, a selective NE transporter blocker that increases central NE levels, to 24 healthy

  15. Molecular Properties of Drugs Interacting with SLC22 Transporters OAT1, OAT3, OCT1, and OCT2: A Machine-Learning Approach.

    Science.gov (United States)

    Liu, Henry C; Goldenberg, Anne; Chen, Yuchen; Lun, Christina; Wu, Wei; Bush, Kevin T; Balac, Natasha; Rodriguez, Paul; Abagyan, Ruben; Nigam, Sanjay K

    2016-10-01

    Statistical analysis was performed on physicochemical descriptors of ∼250 drugs known to interact with one or more SLC22 "drug" transporters (i.e., SLC22A6 or OAT1, SLC22A8 or OAT3, SLC22A1 or OCT1, and SLC22A2 or OCT2), followed by application of machine-learning methods and wet laboratory testing of novel predictions. In addition to molecular charge, organic anion transporters (OATs) were found to prefer interacting with planar structures, whereas organic cation transporters (OCTs) interact with more three-dimensional structures (i.e., greater SP3 character). Moreover, compared with OAT1 ligands, OAT3 ligands possess more acyclic tetravalent bonds and have a more zwitterionic/cationic character. In contrast, OCT1 and OCT2 ligands were not clearly distinquishable form one another by the methods employed. Multiple pharmacophore models were generated on the basis of the drugs and, consistent with the machine-learning analyses, one unique pharmacophore created from ligands of OAT3 possessed cationic properties similar to OCT ligands; this was confirmed by quantitative atomic property field analysis. Virtual screening with this pharmacophore, followed by transport assays, identified several cationic drugs that selectively interact with OAT3 but not OAT1. Although the present analysis may be somewhat limited by the need to rely largely on inhibition data for modeling, wet laboratory/in vitro transport studies, as well as analysis of drug/metabolite handling in Oat and Oct knockout animals, support the general validity of the approach-which can also be applied to other SLC and ATP binding cassette drug transporters. This may make it possible to predict the molecular properties of a drug or metabolite necessary for interaction with the transporter(s), thereby enabling better prediction of drug-drug interactions and drug-metabolite interactions. Furthermore, understanding the overlapping specificities of OATs and OCTs in the context of dynamic transporter tissue

  16. Transport properties of the LiNi{sub 1-y}Co{sub y}O{sub 2} system

    Energy Technology Data Exchange (ETDEWEB)

    Molenda, J.; Wilk, P.; Marzec, J. [Department of Solid State Chemistry, Stanislaw Staszic University of Mining and Metallurgy, Al. A. Mickiewicza 30, 30-059 Cracow (Poland)

    1999-04-15

    In this paper results are presented concerning structure, electrical conductivity and thermoelectric power measurements of the LiNi{sub 1-y}Co{sub y}O{sub 2} system. It has been stated that holes are dominating carriers. It has been also found that cobalt worsens the transport properties of the LiNi{sub 1-y}Co{sub y}O{sub 2} system

  17. Magnetic and transport properties of the 1201-phase Tl0.94Sr2Cu0.4Co0.6O5-δ

    International Nuclear Information System (INIS)

    Seshadri, R.; Maignan, A.; Martin, C.; Letouze, F.; Raveau, B.

    1997-01-01

    We present the magnetic and transport properties of a mixed oxide of Cu and Co with the prototypic structure of the Tl containing copper oxide superconductors. This insulating phase shows a transition to a spin-glass state with an equilibrium transition temperature T c =30.9(1) K. Interestingly, the electrical transport, which seems to be dominated by disorder effects, demonstrates giant negative magnetoresistance (GMR) at low temperatures, with the magnitude of the GMR increasing as the temperature is decreased. The possible cause for the spin-glass behavior as well as the GMR seems to be site disorder of Cu/Co and the simultaneous presence of ferro- and antiferromagnetic interactions. The GMR seems to be different from what is observed in the ferromagnetic manganites in that the transport properties do not closely trace the magnetic behavior. copyright 1997 The American Physical Society

  18. Thermodynamics of competitive molecular channel transport: application to artificial nuclear pores.

    Directory of Open Access Journals (Sweden)

    Wolfgang R Bauer

    Full Text Available In an analytical model channel transport is analyzed as a function of key parameters, determining efficiency and selectivity of particle transport in a competitive molecular environment. These key parameters are the concentration of particles, solvent-channel exchange dynamics, as well as particle-in-channel- and interparticle interaction. These parameters are explicitly related to translocation dynamics and channel occupation probability. Slowing down the exchange dynamics at the channel ends, or elevating the particle concentration reduces the in-channel binding strength necessary to maintain maximum transport. Optimized in-channel interaction may even shift from binding to repulsion. A simple equation gives the interrelation of access dynamics and concentration at this transition point. The model is readily transferred to competitive transport of different species, each of them having their individual in-channel affinity. Combinations of channel affinities are determined which differentially favor selectivity of certain species on the cost of others. Selectivity for a species increases if its in-channel binding enhances the species' translocation probability when compared to that of the other species. Selectivity increases particularly for a wide binding site, long channels, and fast access dynamics. Recent experiments on competitive transport of in-channel binding and inert molecules through artificial nuclear pores serve as a paradigm for our model. It explains qualitatively and quantitatively how binding molecules are favored for transport at the cost of the transport of inert molecules.

  19. Textured Na x CoO2 Ceramics Sintered from Hydrothermal Platelet Nanocrystals: Growth Mechanism and Transport Properties

    Science.gov (United States)

    Zhang, Wei; Liu, Pengcheng; Wang, Yifeng; Zhu, Kongjun; Tai, Guoan; Liu, Jinsong; Wang, Jing; Yan, Kang; Zhang, Jianhui

    2018-05-01

    Nanostructuring is an effective approach to improve thermoelectric (TE) performance, which is caused by the interface and quantum effects on electron and phonon transport. For a typical layered structure such as sodium cobalt (NCO), a highly textured ceramic with nanostructure is beneficial for the carrier transport properties due to the strong anisotropy. In this paper, we established a textured NCO ceramic with highly oriented single crystals in nanoscale. The Na0.6CoO2 platelet crystals were prepared by a one-step hydrothermal method. The growth mechanism was revealed to involve dissolution-recrystallization and exchange reactions. NCO TE ceramics fabricated by a press-aided spark plasma sintering method showed a high degree of texturing, with the platelet crystals basically lying along the in-plane direction perpendicular to the press direction. TE properties of the textured NCO ceramics showed a strong anisotropic behavior. The in-plane electrical conductivity was considerably larger than the out-of-plane data because of fewer grain boundaries and interfaces that existed in the in-plane direction. Moreover, the in-plane Seebeck coefficient was higher because of the anisotropic electronic nature of NCO. Although the in-plane thermal conductivity was high, a prior ZT value was enabled for these NCO ceramics along this direction because of the dominant electrical transport. This finding provides a new approach to prepare highly oriented ceramics.

  20. 41 CFR 102-117.5 - What is transportation management?

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What is transportation management? 102-117.5 Section 102-117.5 Public Contracts and Property Management Federal Property Management... General § 102-117.5 What is transportation management? Transportation management is agency oversight of...

  1. Holocaust With(out Bullets: The Public and Property of the Jewish People from Šabac and the Kladovo Transport 1941–1944

    Directory of Open Access Journals (Sweden)

    Sanja Petrović Todosijević

    2017-09-01

    Full Text Available This paper attempts to illustrate the role the municipal authorities in Šabac, which were headed by wartime mayor Branko Petrović, and which were part of Milan Aćimović’s collaborationist administration and Milan Nedić’s government, played in the process of usurping the right to property of the Jewish people from Šabac and from the Kladovo Transport, initially through the Committee for Registration and Evaluation of Jewish Property, and later through the Commissariat for Jewish Property.   Article received: May 2, 2017; Article accepted: May 8, 2017; Published online: September 15, 2017 Original scholarly paper How to cite this article: Petrović Todosijević, Sanja. "Holocaust With(out Bullets: The Public and Property of the Jewish People from Šabac and the Kladovo Transport 1941–1944." AM Journal of Art and Media Studies 13 (2017: 5-15. doi: 10.25038/am.v0i13.181

  2. Winter Counter-Wind Transport in the Inner Southwestern Yellow Sea

    Science.gov (United States)

    Wu, Hui; Gu, Jinghua; Zhu, Ping

    2018-01-01

    Coastal currents generally flow downshelf with land on the right side (Northern Hemisphere) under the geostrophic balance, and are often strengthened by downwelling-favorable winds. However, the recent mooring observation in the inner southwestern Yellow Sea showed that coastal transport direction can be substantially changed by tidal forcing. In the survey, the tidal-averaged transports at two out of three sites remained northward (i.e., in the upshelf direction) and opposite the downwelling-favorable northerly wind, except during a brief neap tide period. Numerical experiments showed that the incoming Poincaré wave tide from the East China Sea plays a key role in forming this counter-wind transport system. This tidal wave produces a shoreward tidal stress south of 33.5°N in the inner southwestern Yellow Sea, driving an upshelf transport under the Earth's rotation. Counterpropagating tidal waves from the East China Sea and the northern Yellow Sea collide in coastal water in 32.5-34°N, which produce a standing tidal wave and therefore a mean sea-surface setup with alongshore and cross-shelf scales of both >100 km. This sea-surface setup causes an alongshore sea surface gradient, which veers the upshelf transport to the offshore direction under geostrophic balance. The strong tidal current increases the tidal-mean bottom resistance in the SCW, thus reduces the wind-driven current to a magnitude smaller than the tide-induced residual transport velocity. Therefore, upshelf transport persists in the inner southwestern Yellow Sea, and the Changjiang River Estuary becomes a major source area for the inner southwestern Yellow Sea.

  3. Structural, electronic transport and optical properties of functionalized quasi-2D TiC{sub 2} from first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Berdiyorov, G.R., E-mail: gberdiyorov@qf.org.qa; Madjet, M.E., E-mail: mmadjet@qf.org.qa

    2016-12-30

    Highlights: • Effect of surface termination on the optoelectronic properties of TiC{sub 2} is studied. • Fluorinated, oxidized and hydroxylated surfaces are considered. • Partial charges are calculated. • Absorption of the system increases by surface passivation. • Electronic transport reduces considerably due to the termination. - Abstract: Using the first-principles density functional theory, we study the effect of surface functionalization on the structural and optoelectronic properties of recently proposed quasi-two-dimensional material TiC{sub 2} [T. Zhao, S. Zhang, Y. Guo, Q. Wang, Nanoscale 8 (2016) 233]. Hydrogenated, fluorinated, oxidized and hydroxylated surfaces are considered. Significant changes in the lattice parameters and partial charge distributions are found due to the surface termination. Direct contribution of the adatoms to the system density of states near the Fermi level is obtained, which has a major impact on the optoelectronic properties of the material. For example, surface termination results in larger absorption in the visible range of the spectrum. The electronic transport is also affected by the surface functionalization: the current in the system can be reduced by an order of magnitude. These findings indicate the importance of the effects of surface passivation on optoelectronic properties of this quasi-2D material.

  4. Effect of d-wave pairing symmetry in transport properties of silicene-based superconductor junction

    Science.gov (United States)

    Vosoughi-nia, S.; Rashedi, G.; hajati, Y.

    2018-06-01

    We theoretically study the tunneling conductance of a normal/d-wave superconductor silicene junction using Blonder-Tinkham-Klapwijk (BTK) formalism. We discuss how the conductance spectra are affected by changing the chemical potential (μN) in the normal silicene region. It is obtained that the amplitude of the spin/valley-dependent Andreev reflection (AR) and charge conductance (G) of the junction can be strongly modulated by the orientation angle of superconductive gap (β) and perpendicular electric field (Ez). We demonstrate that the charge conductance exhibits an oscillatory behavior as a function of β by a period of π/2. Remarkably, variation of μN strongly modifies the amplitude of the oscillations and periodically there are transport gaps in the G - β oscillations for a range of μN. These findings suggest that one may experimentally tune the transport properties of the junction through changing β, Ez and μN.

  5. Computational modelling of thermo-mechanical and transport properties of carbon nanotubes

    International Nuclear Information System (INIS)

    Rafii-Tabar, H.

    2004-01-01

    Over the recent years, numerical modelling and computer-based simulation of the properties of carbon nanotubes have become the focal points of research in computational nano-science and its associated fields of computational condensed matter physics and materials modelling. Modelling of the mechanical, thermal and transport properties of nanotubes via numerical simulations forms the central part of this research, concerned with the nano-scale mechanics and nano-scale thermodynamics of nanotubes, and nano-scale adsorption, storage and flow properties in nanotubes. A review of these properties, obtained via computational modelling studies, is presented here. We first introduce the physics of carbon nanotubes, and then present the computational simulation tools that are appropriate for conducting a modelling study at the nano-scales. These include the molecular dynamics (MD), the Monte Carlo (MC), and the ab initio MD simulation methods. A complete range of inter-atomic potentials, of two-body and many-body varieties, that underlie all the modelling studies considered in this review is also given. Mechanical models from continuum-based elasticity theory that have been extensively employed in computing the energetics of nanotubes, or interpret the results from atomistic modelling, are presented and discussed. These include models based on the continuum theory of curved plates, shells, vibrating rods and bending beams. The validity of these continuum-based models has also been examined and the conditions under which they are applicable to nanotube modelling have been listed. Pertinent concepts from continuum theories of stress analysis are included, and the relevant methods for conducting the computation of the stress tensor, elastic constants and elastic modulii at the atomic level are also given. We then survey a comprehensive range of modelling studies concerned with the adsorption and storage of gases, and flow of fluids, in carbon nanotubes of various types. This

  6. Computational modelling of thermo-mechanical and transport properties of carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Rafii-Tabar, H

    2004-02-01

    Over the recent years, numerical modelling and computer-based simulation of the properties of carbon nanotubes have become the focal points of research in computational nano-science and its associated fields of computational condensed matter physics and materials modelling. Modelling of the mechanical, thermal and transport properties of nanotubes via numerical simulations forms the central part of this research, concerned with the nano-scale mechanics and nano-scale thermodynamics of nanotubes, and nano-scale adsorption, storage and flow properties in nanotubes. A review of these properties, obtained via computational modelling studies, is presented here. We first introduce the physics of carbon nanotubes, and then present the computational simulation tools that are appropriate for conducting a modelling study at the nano-scales. These include the molecular dynamics (MD), the Monte Carlo (MC), and the ab initio MD simulation methods. A complete range of inter-atomic potentials, of two-body and many-body varieties, that underlie all the modelling studies considered in this review is also given. Mechanical models from continuum-based elasticity theory that have been extensively employed in computing the energetics of nanotubes, or interpret the results from atomistic modelling, are presented and discussed. These include models based on the continuum theory of curved plates, shells, vibrating rods and bending beams. The validity of these continuum-based models has also been examined and the conditions under which they are applicable to nanotube modelling have been listed. Pertinent concepts from continuum theories of stress analysis are included, and the relevant methods for conducting the computation of the stress tensor, elastic constants and elastic modulii at the atomic level are also given. We then survey a comprehensive range of modelling studies concerned with the adsorption and storage of gases, and flow of fluids, in carbon nanotubes of various types. This

  7. Interactive FORTRAN IV computer programs for the thermodynamic and transport properties of selected cryogens (fluids pack)

    Science.gov (United States)

    Mccarty, R. D.

    1980-01-01

    The thermodynamic and transport properties of selected cryogens had programmed into a series of computer routines. Input variables are any two of P, rho or T in the single phase regions and either P or T for the saturated liquid or vapor state. The output is pressure, density, temperature, entropy, enthalpy for all of the fluids and in most cases specific heat capacity and speed of sound. Viscosity and thermal conductivity are also given for most of the fluids. The programs are designed for access by remote terminal; however, they have been written in a modular form to allow the user to select either specific fluids or specific properties for particular needs. The program includes properties for hydrogen, helium, neon, nitrogen, oxygen, argon, and methane. The programs include properties for gaseous and liquid states usually from the triple point to some upper limit of pressure and temperature which varies from fluid to fluid.

  8. Effect on C-axis transport properties of a critical state in Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}

    Energy Technology Data Exchange (ETDEWEB)

    Cho, J.H.; Maley, M.P.; Bulaevskii, L.N.

    1995-12-31

    At low temperatures, the c-axis transport properties of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} single crystals depend strongly on the magnetic field history for fields applied along the c-axis, indicating the effect of a critical state in the ab direction. In this study, the authors report zero field cooled (ZFC), field cooled warming (FCW), and field cooled cooling (FCC) c-axis transport properties. In addition, they also report magnetic relaxation measurements on the same samples to identify the c-axis dissipation mechanism. They observe a relaxation of the c-axis resistivity that follows the relaxation of the flux profile across the ab plane. By identifying the irreversible temperature vs. magnetic field for H // c, they construct a phase diagram of vortex states. Finally, they will discuss the implication of the phase diagram and the features related to the transport properties of the Josephson-coupled system and the role of pancake vortices in highly two-dimensional superconductors.

  9. Column study for the evaluation of the transport properties of polyphenol-coated nanoiron.

    Science.gov (United States)

    Mystrioti, C; Papassiopi, N; Xenidis, A; Dermatas, D; Chrysochoou, M

    2015-01-08

    Injection of a nano zero valent iron (nZVI) suspension in the subsurface is a remedial option for obtaining the in situ reduction and immobilization of hexavalent chromium in contaminated aquifers. Prerequisite for the successful implementation of this technology is that the nanoparticles form a stable colloidal suspension with good transport properties when delivered in the subsurface. In this study we produced stable suspensions of polyphenol-coated nZVI (GT-nZVI) and we evaluated their transport behavior through representative porous media. Two types of porous materials were tested: (a) silica sand as a typical inert medium and (b) a mixture of calcareous soil and sand. The transport of GT-nZVI through the sand column was effectively described using a classic 1-D convection-dispersion flow equation (CDE) in combination with the colloid filtration theory (CFT). The calculations indicate that nZVI travel distance will be limited in the range 2.5-25cm for low Darcy velocities (0.1-1m/d) and in the order of 2.5m at higher velocities (10m/d). The mobility of GT-nZVI suspension in the soil-sand column is lower and is directly related to the progress of the neutralization reactions between the acidic GT-nZVI suspension and soil calcite. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. 41 CFR 101-27.507 - Transportation and other costs.

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 2 2010-07-01 2010-07-01 true Transportation and other costs. 101-27.507 Section 101-27.507 Public Contracts and Property Management Federal Property... MANAGEMENT 27.5-Return of GSA Stock Items § 101-27.507 Transportation and other costs. Transportation costs...

  11. Interface effects on the electronic transport properties in highly epitaxial LaBaCo2O(5.5+δ) films.

    Science.gov (United States)

    Ma, C R; Liu, M; Liu, J; Collins, G; Zhang, Y M; Wang, H B; Chen, C L; Lin, Y; He, J; Jiang, J C; Meletis, E I; Jacobson, A J

    2014-02-26

    Single-crystalline perovskite LaBaCo2O5.5+δ thin films were grown on a (110) NdGaO3 single-crystal substrate in order to systematically investigate the effect of lattice mismatch on the electrical transport properties in comparison to the films on LaAlO3, SrTiO3, and MgO substrates. Microstructure studies reveal that all of the LaBaCo2O5.5+δ films are of excellent quality with atomically sharp interface structures. The electrical and magnetic transport property studies indicate that the resistivity, magnetoresistance, and magnetic moment of the film are very sensitive to the substrate materials because of the lattice mismatch/interface strain. The Curie temperature, however, is almost independent of the strain imposed by the substrate, probably because of the strong coupling between the nanodomain boundary and interface strain.

  12. Location-dependent coronary artery diffusive and convective mass transport properties of a lipophilic drug surrogate measured using nonlinear microscopy.

    Science.gov (United States)

    Keyes, Joseph T; Simon, Bruce R; Vande Geest, Jonathan P

    2013-04-01

    Arterial wall mass transport properties dictate local distribution of biomolecules or locally delivered dugs. Knowing how these properties vary between coronary artery locations could provide insight into how therapy efficacy is altered between arterial locations. We introduced an indocarbocyanine drug surrogate to the lumens of left anterior descending and right coronary (LADC; RC) arteries from pigs with or without a pressure gradient. Interstitial fluorescent intensity was measured on live samples with multiphoton microscopy. We also measured binding to porcine coronary SMCs in monoculture. Diffusive transport constants peaked in the middle sections of the LADC and RC arteries by 2.09 and 2.04 times, respectively, compared to the proximal and distal segments. There was no statistical difference between the average diffusivity value between LADC and RC arteries. The convection coefficients had an upward trend down each artery, with the RC being higher than the LADC by 3.89 times. This study demonstrates that the convective and diffusive transport of lipophilic molecules changes between the LADC and the RC arteries as well as along their length. These results may have important implications in optimizing drug delivery for the treatment of coronary artery disease.

  13. Colligative thermoelectric transport properties in n-type filled CoSb3 determined by guest electrons in a host lattice

    International Nuclear Information System (INIS)

    Lim, Young Soo; Park, Kwan-Ho; Tak, Jang Yeul; Lee, Soonil; Seo, Won-Seon; Park, Cheol-Hee; Kim, Tae Hoon; Park, PumSuk; Kim, Il-Ho; Yang, Jihui

    2016-01-01

    Among many kinds of thermoelectric materials, CoSb 3 has received exceptional attention for automotive waste heat recovery. Its cage structure provides an ideal framework for the realization of phonon-glass electron-crystal strategy, and there have been numerous reports on the enhanced thermoelectric performance through the independent control of the thermal and electrical conductivity by introducing fillers into its cage sites. Herein, we report colligative thermoelectric transport properties in n-type CoSb 3 from the viewpoint of “guest electrons in a host lattice.” Both the Seebeck coefficient and the charge transport properties are fundamentally determined by the concentration of the guest electrons, which are mostly donated by the fillers, in the conduction band of the host CoSb 3 . Comparing this observation to our previous results, colligative relations for both the Seebeck coefficient and the mobility were deduced as functions of the carrier concentration, and thermoelectric transport constants were defined to predict the power factor in filled CoSb 3 . This discovery not only increases the degree of freedom for choosing a filler but also provides the predictability of power factor in designing and engineering the n-type filled CoSb 3 materials.

  14. 41 CFR 109-40.103-3 - International transportation.

    Science.gov (United States)

    2010-07-01

    ... transportation. 109-40.103-3 Section 109-40.103-3 Public Contracts and Property Management Federal Property..., TRANSPORTATION, AND MOTOR VEHICLES 40-TRANSPORTATION AND TRAFFIC MANAGEMENT 40.1-General Provision § 109-40.103-3 International transportation. See 4 CFR 52.2 for a certificate required in nonuse of U.S. flag vessels or U.S...

  15. Experimental and Theoretical Demonstration on the Transport Properties of Fused Ring Host Materials for Organic Light-Emitting Diodes

    Science.gov (United States)

    Tse, S. C.; So, S. K.; Yeung, M. Y.; Lo, C. F.; Wen, S. W.; Chen, C. H.

    2006-01-01

    The charge transport properties of three tertiary-butyl (t-Bu) substituted anthracene derivatives (ADN), critical blue host materials for organic light-emitting diodes (OLEDs), have been investigated experimentally and computationally. From time-of-flight (TOF) measurements, all ADN compounds exhibit ambipolar characters. The hole and electron mobilities are in the range (1--5)× 10-7 cm2 V-1 s-1 under an external applied field of about 1 MV cm-1. Un-substituted ADN has the highest carrier mobilities while heavily t-Bu substituted ADN has the least. The electron and hole conducting properties of are consistent with ab initio calculation, which indicates that the frontier orbitals are localized mainly on the anthracene moiety. t-Bu substitutions in ADN increase the hopping path lengths among the molecules and hence reduce the electron and hole mobilities. The results demonstrate that t-Bu substitution is an effective means of engineering the conductivity of organic charge transporter for OLED applications.

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

    KAUST Repository

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

    2011-01-01

    The influence of the electrode's Fermi surface on the transport properties of a photoswitching molecule is investigated with state-of-the-art ab initio transport methods. We report results for the conducting properties of the two forms

  17. Charge Transport Processes in Molecular Junctions

    Science.gov (United States)

    Smith, Christopher Eugene

    Molecular electronics (ME) has evolved into a rich area of exploration that combines the fields of chemistry, materials, electronic engineering and computational modeling to explore the physics behind electronic conduction at the molecular level. Through studying charge transport properties of single molecules and nanoscale molecular materials the field has gained the potential to bring about new avenues for the miniaturization of electrical components where quantum phenomena are utilized to achieve solid state molecular device functionality. Molecular junctions are platforms that enable these studies and consist of a single molecule or a small group of molecules directly connected to electrodes. The work presented in this thesis has built upon the current understanding of the mechanisms of charge transport in ordered junctions using self-assembled monolayer (SAM) molecular thin films. Donor and acceptor compounds were synthesized and incorporated into SAMs grown on metal substrates then the transport properties were measured with conducting probe atomic force microscopy (CP-AFM). In addition to experimentally measured current-voltage (I-V) curves, the transport properties were addressed computationally and modeled theoretically. The key objectives of this project were to 1) investigate the impact of molecular structure on hole and electron charge transport, 2) understand the nature of the charge carriers and their structure-transport properties through long (chemically gated to modulate the transport. These results help advance our understanding of transport behavior in semiconducting molecular thin films, and open opportunities to engineer improved electronic functionality into molecular devices.

  18. 41 CFR 102-118.10 - What is a transportation audit?

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What is a transportation audit? 102-118.10 Section 102-118.10 Public Contracts and Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT REGULATION TRANSPORTATION 118-TRANSPORTATION...

  19. 41 CFR 102-118.15 - What is a transportation payment?

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What is a transportation payment? 102-118.15 Section 102-118.15 Public Contracts and Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT REGULATION TRANSPORTATION 118-TRANSPORTATION...

  20. Menor valor: ¿oferta más favorable?

    Directory of Open Access Journals (Sweden)

    Iván Alirio Ramírez Rusinque

    2014-07-01

    Full Text Available La más importante transformación establecida por la Ley 1150 de 2007 en la contratación estatal radicó en la determinación del menor valor como la oferta más favorable para las entidades estatales, cuando se trate de la adquisición o suministro de bienes y servicios de características técnicas uniformes y de común utilización. Por ello, reviste de gran importancia realizar un análisis desde el punto de vista jurídico y normativo, que permita establecer si la mutación sufrida al concepto de oferta más favorable trajo consigo los fines perseguidos por la reforma, o en su defecto fue perjudicial la solución, al afectar el deber de selección objetiva, los principios de la contratación estatal de igualdad, eficacia, transparencia, planeación y equilibrio financiero del contrato y el principio constitucional de la libre competencia. Para de esta forma establecer si el modelo del menor valor como criterio de la oferta más favorable resulta eficiente jurídicamente en el campo de la contratación estatal, y si las reglas establecidas en la actualidad permiten el desarrollo armónico del sistema establecido por la Ley 1150 de 2007.

  1. Curvature effects on the electronic and transport properties of semiconductor films

    Science.gov (United States)

    Batista, F. F.; Chaves, Andrey; da Costa, D. R.; Farias, G. A.

    2018-05-01

    Within the effective mass approximation, we study the curvature effects on the electronic and transport properties of semiconductor films. We investigate how the geometry-induced potential resulting exclusively from periodic ripples in the film induces electronic confinement and a superlattice band structure. For fixed curvature parameters, such a confinement can be easily tuned by an external electric field, hence features of the superlattice band structure such as its energy gaps and band curvature can be controlled by an external parameter. We also show that, for some values of curvature and electric field, it is possible to obtain massless Dirac bands for a smooth curved structure. Moreover, we use a wave packet propagation method to demonstrate that the ripples are responsible for a significant inter-sub-band transition, specially for moderate values of the ripple height.

  2. Electronic transport in the quantum spin Hall state due to the presence of adatoms in graphene

    Science.gov (United States)

    Lima, Leandro; Lewenkopf, Caio

    Heavy adatoms, even at low concentrations, are predicted to turn a graphene sheet into a topological insulator with substantial gap. The adatoms mediate the spin-orbit coupling that is fundamental to the quantum spin Hall effect. The adatoms act as local spin-orbit scatterer inducing hopping processes between distant carbon atoms giving origin to transverse spin currents. Although there are effective models that describe spectral properties of such systems with great detail, quantitative theoretical work for the transport counterpart is still lacking. We developed a multiprobe recursive Green's function technique with spin resolution to analyze the transport properties for large geometries. We use an effective tight-binding Hamiltonian to describe the problem of adatoms randomly placed at the center of the honeycomb hexagons, which is the case for most transition metals. Our choice of current and voltage probes is favorable to experiments since it filters the contribution of only one spin orientation, leading to a quantized spin Hall conductance of e2 / h . We also discuss the electronic propagation in the system by imaging the local density of states and the electronic current densities. The authors acknowledge the Brazilian agencies CNPq, CAPES, FAPERJ and INCT de Nanoestruturas de Carbono for financial support.

  3. The magnetism and spin-dependent electronic transport properties of boron nitride atomic chains

    International Nuclear Information System (INIS)

    An, Yipeng; Zhang, Mengjun; Wang, Tianxing; Jiao, Zhaoyong; Wu, Dapeng; Fu, Zhaoming; Wang, Kun

    2016-01-01

    Very recently, boron nitride atomic chains were successively prepared and observed in experiments [O. Cretu et al., ACS Nano 8, 11950 (2015)]. Herein, using a first-principles technique, we study the magnetism and spin-dependent electronic transport properties of three types of BN atomic chains whose magnetic moment is 1 μ B for B n N n−1 , 2 μ B for B n N n , and 3 μ B for B n N n+1 type atomic chains, respectively. The spin-dependent electronic transport results demonstrate that the short B n N n+1 chain presents an obvious spin-filtering effect with high spin polarization ratio (>90%) under low bias voltages. Yet, this spin-filtering effect does not occur for long B n N n+1 chains under high bias voltages and other types of BN atomic chains (B n N n−1 and B n N n ). The proposed short B n N n+1 chain is predicted to be an effective low-bias spin filters. Moreover, the length-conductance relationships of these BN atomic chains were also studied.

  4. 41 CFR 109-40.103-1 - Domestic transportation.

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false Domestic transportation... Regulations System (Continued) DEPARTMENT OF ENERGY PROPERTY MANAGEMENT REGULATIONS AVIATION, TRANSPORTATION, AND MOTOR VEHICLES 40-TRANSPORTATION AND TRAFFIC MANAGEMENT 40.1-General Provision § 109-40.103-1...

  5. Spin transport properties of partially edge-hydrogenated MoS2 nanoribbon heterostructure

    International Nuclear Information System (INIS)

    Peng, Li; Yao, Kailun; Zhu, Sicong; Ni, Yun; Zu, Fengxia; Wang, Shuling; Guo, Bin; Tian, Yong

    2014-01-01

    We report ab initio calculations of electronic transport properties of heterostructure based on MoS 2 nanoribbons. The heterostructure consists of edge hydrogen-passivated and non-passivated zigzag MoS 2 nanoribbons (ZMoS 2 NR-H/ZMoS 2 NR). Our calculations show that the heterostructure has half-metallic behavior which is independent of the nanoribbon width. The opening of spin channels of the heterostructure depends on the matching of particular electronic orbitals in the Mo-dominated edges of ZMoS 2 NR-H and ZMoS 2 NR. Perfect spin filter effect appears at small bias voltages, and large negative differential resistance and rectifying effects are also observed in the heterostructure.

  6. Effect of ambient on electrical transport properties of ultra-thin Au nanowires

    Science.gov (United States)

    Amin, Kazi Rafsanjani; Kundu, Subhajit; Biswas, Sangram; Roy, Ahin; Singh, Abhishek Kumar; Ravishankar, N.; Bid, Aveek

    2016-12-01

    In this letter we present systematic studies of the dynamics of surface adsorption of various chemicals on ultra-thin single crystalline gold nanowires (AuNW) through sensitive resistance fluctuation spectroscopy measurements coupled with ab initio simulations. We show that, contrary to expectations, the adsorption of common chemicals like methanol and acetone has a profound impact on the electrical transport properties of the AuNW. Our measurements and subsequent calculations establish conclusively that in AuNW, semiconductor-like sensitivity to the ambient arises because of changes induced in its local density of states by the surface adsorbed molecules. The extreme sensitivity of the resistance fluctuations of the AuNW to ambient suggests their possible use as solid-state sensors.

  7. A generalização a partir do tratamento com fricativas: ambientes favoráveis versus ambientes pouco favoráveis e neutros The generalization through the treatment with fricatives: favorable environments versus unfavorable and neutral environments

    Directory of Open Access Journals (Sweden)

    Fernanda Marafiga Wiethan

    2013-01-01

    Full Text Available O objetivo deste estudo foi analisar e comparar a ocorrência e os tipos de generalização observados a partir do tratamento das fricativas /z/, /ζ/ e /k/ em dois grupos de crianças, um utilizando palavras com contextos fonológicos favoráveis e outro os contextos pouco favoráveis e neutros. Seis crianças com desvio fonológico e idades entre 4:7 e 7:8 participaram do estudo com a autorização dos responsáveis. Realizaram-se avaliações fonoaudiológicas e complementares para o diagnóstico do desvio fonológico. Os sujeitos foram pareados de acordo com a gravidade do desvio, sexo, faixa etária e aspectos do sistema fonológico em relação aos fonemas alterados. Metade das crianças foi tratada com palavras em que os fonemas /z/, /ζ/ e /k/ encontravam-se em ambientes fonológicos favoráveis e a outra metade com ambientes pouco favoráveis e neutros. Foram realizadas oito sessões e, após estas, nova avaliação de fala foi realizada para verificar os tipos de generalização obtidos. Os percentuais de generalizações foram comparados entre os grupos por meio do teste estatístico de Mann-Whitney (pThe aim of this study was to analyze and compare the occurrence and the types of generalization observed through the treatment of the fricatives /z/, /ζ/ and /k/ in two groups of children, one using words with favorable phonological contexts and another with unfavorable and neutral contexts. Six children with phonological disorder between 4:7 and 7:8 year-old participated in the study, with their parents' authorization. There were speech-language and complementary evaluations to diagnose the phonological disorder. The subjects were matched according to the severity of the phonological disorder, sex, age and aspects of the phonological system in relation to the altered phonemes. Half the children were treated with words in which the phonemes /z/, /ζ/ and /k/ were in favorable phonological environments and the other half with unfavorable

  8. Establishing the transport properties of QCD with heavy ion reactions. Final Scientific Report for DE-FG02-07ER41524

    International Nuclear Information System (INIS)

    Teaney, Derek

    2008-01-01

    During the time period from 9/1/07 - 3/1/08 the principle investigator was awarded a federal grant from the Department of Energy (DE-FG02-07ER41524) to establish the transport properties of QCD through heavy ion reactions. A relativistic viscous hydrodynamic computer code was developed in 2+1 dimensions which is suitable for extracting the shear viscosity from available heavy ion data. In addition, the transport coefficients of heavy mesons in strongly coupled N = 4 plasmas were determined using the gauge gravity duality. These transport coefficients are suppressed by 1/N c 2 which stymied previous efforts to determine the kinetics of these mesons.

  9. High thermoelectric properties of (Sb, Bi)2Te3 nanowire arrays by tilt-structure engineering

    Science.gov (United States)

    Tan, Ming; Hao, Yanming; Deng, Yuan; Chen, Jingyi

    2018-06-01

    In this paper, we present an innovative tilt-structure design concept for (Sb, Bi)2Te3 nanowire array assembled by high-quality nanowires with well oriented growth, utilizing a simple vacuum thermal evaporation technique. The unusual tilt-structure (Sb, Bi)2Te3 nanowire array with a tilted angle of 45° exhibits a high thermoelectric dimensionless figure-of-merit ZT = 1.72 at room temperature. The relatively high ZT value in contrast to that of previously reported (Sb, Bi)2Te3 materials and the vertical (Sb, Bi)2Te3 nanowire arrays evidently reveals the crucial role of the unique tilt-structure in favorably influencing carrier and phonon transport properties, resulting in a significantly improved ZT value. The transport mechanism of such tilt-structure is proposed and investigated. This method opens a new approach to optimize nano-structure in thin films for next-generation thermoelectric materials and devices.

  10. Transport Properties of an Electron-Hole Bilayer in Contact with a Superconductor Hybrid Junction

    Science.gov (United States)

    Bercioux, D.; Klapwijk, T. M.; Bergeret, F. S.

    2017-08-01

    We investigate the transport properties of a junction consisting of an electron-hole bilayer in contact with normal and superconducting leads. The electron-hole bilayer is considered as a semimetal with two electronic bands. We assume that in the region between the contacts the system hosts an exciton condensate described by a BCS-like model with a gap Γ in the quasiparticle density of states. We first discuss how the subgap electronic transport through the junction is mainly governed by the interplay between two kinds of reflection processes at the interfaces: the standard Andreev reflection at the interface between the superconductor and the exciton condensate, and a coherent crossed reflection at the semimetal-exciton-condensate interface that converts electrons from one layer into the other. We show that the differential conductance of the junction shows a minimum at voltages of the order of Γ /e . Such a minimum can be seen as a direct hallmark of the existence of the gapped excitonic state.

  11. The Effusive-Flow Properties of Target/Vapor-Transport Systems for Radioactive Ion Beam Applications

    CERN Document Server

    Kawai, Yoko; Liu, Yuan

    2005-01-01

    Radioactive atoms produced by the ISOL technique must diffuse from a target, effusively flow to an ion source, be ionized, be extracted, and be accelerated to research energies in a time commensurate with the lifetime of the species of interest. We have developed a fast valve system (closing time ~100 us) that can be used to accurately measure the effusion times of chemically active or inactive species through arbitrary geometry and size vapor transport systems with and without target material in the reservoir. The effusive flow times are characteristic of the system and thus serve as figures of merit for assessing the quality of a given vapor transport system as well as for assessing the permeability properties of a given target design. This article presents effusive flow data for noble gases flowing through a target reservoir and ion source system routinely used to generate radioactive species at the HRIBF with and without disks of 6 times and 10 times compressed Reticulated Vitreous Carbon Foam (RVCF) with...

  12. Additively manufactured metallic porous biomaterials based on minimal surfaces : A unique combination of topological, mechanical, and mass transport properties

    NARCIS (Netherlands)

    Bobbert, F S L; Lietaert, K; Eftekhari, A A; Pouran, B; Ahmadi, S M; Weinans, H; Zadpoor, A A

    2017-01-01

    Porous biomaterials that simultaneously mimic the topological, mechanical, and mass transport properties of bone are in great demand but are rarely found in the literature. In this study, we rationally designed and additively manufactured (AM) porous metallic biomaterials based on four different

  13. Transport properties of olivine grain boundaries from electrical conductivity experiments

    Science.gov (United States)

    Pommier, Anne; Kohlstedt, David L.; Hansen, Lars N.; Mackwell, Stephen; Tasaka, Miki; Heidelbach, Florian; Leinenweber, Kurt

    2018-05-01

    Grain boundary processes contribute significantly to electronic and ionic transports in materials within Earth's interior. We report a novel experimental study of grain boundary conductivity in highly strained olivine aggregates that demonstrates the importance of misorientation angle between adjacent grains on aggregate transport properties. We performed electrical conductivity measurements of melt-free polycrystalline olivine (Fo90) samples that had been previously deformed at 1200 °C and 0.3 GPa to shear strains up to γ = 7.3. The electrical conductivity and anisotropy were measured at 2.8 GPa over the temperature range 700-1400 °C. We observed that (1) the electrical conductivity of samples with a small grain size (3-6 µm) and strong crystallographic preferred orientation produced by dynamic recrystallization during large-strain shear deformation is a factor of 10 or more larger than that measured on coarse-grained samples, (2) the sample deformed to the highest strain is the most conductive even though it does not have the smallest grain size, and (3) conductivity is up to a factor of 4 larger in the direction of shear than normal to the shear plane. Based on these results combined with electrical conductivity data for coarse-grained, polycrystalline olivine and for single crystals, we propose that the electrical conductivity of our fine-grained samples is dominated by grain boundary paths. In addition, the electrical anisotropy results from preferential alignment of higher-conductivity grain boundaries associated with the development of a strong crystallographic preferred orientation of the grains.

  14. Influence of supplementary cementitious materials on water transport kinetics and mechanical properties of hydrated lime and cement mortars

    Directory of Open Access Journals (Sweden)

    Ince, C.

    2015-06-01

    Full Text Available The purpose of this paper is an investigation of the possible role of supplementary cementitious materials (SCMs on water transport kinetics and mechanical properties of hydrated lime (CL90 and Portland cement (PC mortars. The properties of hydrated lime are significantly different from those of cement and therefore modifying fresh and hardened properties of these mortars are vital for mortar/substrate optimisation in masonry construction. The parameters investigated in this paper often are the main barriers to the use of hydrated lime in construction practice. The results show that transfer sorptivity and time to dewater freshly-mixed hydrated lime mortars can be modified when binder is partially replaced with SCMs. Compressive strength of CL90 mortars is increased systematically with the increased replacement levels of SCMs and the results are supported with the microstructural images. The ability to modify the water transport kinetics and mechanical properties allows compatibility between the mortar and the substrate unit in masonry construction.El objetivo de este artículo es investigar el papel de los materiales cementantes suplementarios (SCMs en la cinética de transporte del agua y en las propiedades mecánicas de los morteros de cal hidratada (CL90 y cemento Portland. Las propiedades de la cal hidratada son significativamente diferentes a las del cemento y por lo tanto el control de las propiedades de los morteros frescos y endurecidos es fundamental en la optimización mortero/substrato en albañilería. Los parámetros estudiados en este trabajo son a menudo las principales barreras para el uso de la cal hidratada en la práctica de la construcción. Los resultados indican que la absortividad y el tiempo necesario para deshidratar morteros de cal hidratada recién mezclados pueden ser controlados cuando el conglomerante es parcialmente remplazado por SCMs. La resistencia a compresión de los morteros CL90 aumenta sistem

  15. Interface and transport properties of GaN/graphene junction in GaN-based LEDs

    International Nuclear Information System (INIS)

    Wang Liancheng; Zhang Yiyun; Liu Zhiqiang; Guo Enqing; Yi Xiaoyan; Wang Junxi; Wang Guohong; Li Xiao; Zhu Hongwei

    2012-01-01

    A normalized circular transmission line method pattern with uniform interface area was developed to obtain contact resistances of p-, u-, n-GaN/graphene contacts (p, u and n represent p-type doped, unintentionally doped and n-type doped, respectively) and N-polar u-, n-GaN/graphene contacts in GaN-based LEDs. The resistances of the graphene/GaN contacts were mainly determined by the work function gap and the carrier concentration in GaN. Annealing caused diffusion of metal atoms and significantly influenced the interface transport properties.

  16. Analysis on the moment method for determining the moisture transport properties in porous media

    International Nuclear Information System (INIS)

    Wang, B.X.; Fang, Z.H.

    1987-01-01

    The authors discuss a new unsteady-state method proposed for determining the moisture transport properties in wet porous media. It is based on measurement of the change in moment of gravity caused by the moisture migration. In addition to its high-speed performance, this method may get rid of the difficulty in determination of a changing moisture content or moisture distribution. On this basis, two particular procedures are contrived: a constant heat source method for determining the thermal mass diffusivity and an instantaneous moisture source method for determining the moisture diffusivity

  17. First-principles study of the electronic transport properties of the anthraquinone-based molecular switch

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, P., E-mail: ss_zhaop@ujn.edu.c [School of Science, University of Jinan, Jinan 250022 (China); Liu, D.S. [School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China); Department of Physics, Jining University, Qufu 273155 (China); Wang, P.J.; Zhang, Z. [School of Science, University of Jinan, Jinan 250022 (China); Fang, C.F.; Ji, G.M. [School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China)

    2011-02-15

    By applying non-equilibrium Green's function (NEGF) formalism combined with first-principles density functional theory (DFT), we have investigated the electronic transport properties of the anthraquinone-based molecular switch. The molecule that comprises the switch can be converted between the hydroquinone (HQ) and anthraquinone (AQ) forms via redox reactions. The transmission spectra of these two forms are remarkably distinctive. Our results show that the current through the HQ form is significantly larger than that through the AQ form, which suggests that this system has attractive potential application in future molecular switch technology.

  18. First-principles study of the electronic transport properties of the anthraquinone-based molecular switch

    International Nuclear Information System (INIS)

    Zhao, P.; Liu, D.S.; Wang, P.J.; Zhang, Z.; Fang, C.F.; Ji, G.M.

    2011-01-01

    By applying non-equilibrium Green's function (NEGF) formalism combined with first-principles density functional theory (DFT), we have investigated the electronic transport properties of the anthraquinone-based molecular switch. The molecule that comprises the switch can be converted between the hydroquinone (HQ) and anthraquinone (AQ) forms via redox reactions. The transmission spectra of these two forms are remarkably distinctive. Our results show that the current through the HQ form is significantly larger than that through the AQ form, which suggests that this system has attractive potential application in future molecular switch technology.

  19. Correlation of nanostructure and charge transport properties of oxidized a -SiC:H films

    Energy Technology Data Exchange (ETDEWEB)

    Gordienko, S.O.; Nazarov, A.N.; Vasin, A.V.; Rusavsky, A.V.; Lysenko, V.S. [Lashkaryov Institute of Semiconductor Physics, National Academy of Sciences of Ukraine, Prospekt Nauki 41, 03028 Kyiv (Ukraine)

    2012-06-15

    This paper considers the influence of low temperature oxidation on structural and electrical properties of amorphous carbon-rich a -Si{sub 1-x}C{sub x}:H thin films fabricated by reactive RF magnetron sputtering. It is shown that oxidation leads to formation of SiO{sub x} matrix with graphite-like carbon inclusions. Such conductive precipitates has a strong effect on charge transport in oxidized a -Si{sub 1-x}C{sub x}:H films (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Thermal Transport in Phosphorene.

    Science.gov (United States)

    Qin, Guangzhao; Hu, Ming

    2018-03-01

    Phosphorene, a novel elemental 2D semiconductor, possesses fascinating chemical and physical properties which are distinctively different from other 2D materials. The rapidly growing applications of phosphorene in nano/optoelectronics and thermoelectrics call for comprehensive studies of thermal transport properties. In this Review, based on the theoretical and experimental progresses, the thermal transport properties of single-layer phosphorene, multilayer phosphorene (nanofilms), and bulk black phosphorus are summarized to give a general view of the overall thermal conductivity trend from single-layer to bulk form. The mechanism underlying the discrepancy in the reported thermal conductivity of phosphorene is discussed by reviewing the effect of different functionals and cutoff distances on the thermal transport evaluations. This Review then provides fundamental insight into the thermal transport in phosphorene by reviewing the role of resonant bonding in driving giant phonon anharmonicity and long-range interactions. In addition, the extrinsic thermal conductivity of phosphorene is reviewed by discussing the effects of strain and substrate, together with phosphorene based heterostructures and nanoribbons. This Review summarizes the progress of thermal transport in phosphorene from both theoretical calculations and experimental measurements, which would be of significance to the design and development of efficient phosphorene based nanoelectronics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Animal transportation networks

    Science.gov (United States)

    Perna, Andrea; Latty, Tanya

    2014-01-01

    Many group-living animals construct transportation networks of trails, galleries and burrows by modifying the environment to facilitate faster, safer or more efficient movement. Animal transportation networks can have direct influences on the fitness of individuals, whereas the shape and structure of transportation networks can influence community dynamics by facilitating contacts between different individuals and species. In this review, we discuss three key areas in the study of animal transportation networks: the topological properties of networks, network morphogenesis and growth, and the behaviour of network users. We present a brief primer on elements of network theory, and then discuss the different ways in which animal groups deal with the fundamental trade-off between the competing network properties of travel efficiency, robustness and infrastructure cost. We consider how the behaviour of network users can impact network efficiency, and call for studies that integrate both network topology and user behaviour. We finish with a prospectus for future research. PMID:25165598

  2. Oxygen nonstoichiometry and transport properties of strontium substituted lanthanum cobaltite

    DEFF Research Database (Denmark)

    Søgaard, Martin; Hendriksen, Peter Vang; Mogensen, Mogens Bjerg

    2006-01-01

    Oxygen nonstoichiometry, structure and transport properties of the two compositions (La-0.6 Sr-0.4)(0.99)CoO3-delta (LSC40) and La0.85Sr0.15CoO3-delta (LSC15) were measured. It was found that the oxygen nonstoichiometry as a function of the temperature and oxygen partial pressure could be described...... using the itinerant electron model. The electrical conductivity, sigma, of the materials is high (sigma > 500 S cm(-1)) in the measured temperature range (650 - 1000 degrees C) and oxygen partial pressure range (0.209-10(-4) atm). At 900 degrees C the electrical conductivity is 1365 and 1491 S cm(-1......) in air for LSC40 and LSC15, respectively. A linear correlation between the electrical conductivity and the oxygen vacancy concentration was found for both samples. The mobility of the electron-holes was inversely proportional with the absolute temperature indicating a metallic type conductivity for LSC40...

  3. A review of reaction rates and thermodynamic and transport properties for an 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K

    Science.gov (United States)

    Gupta, Roop N.; Yos, Jerrold M.; Thompson, Richard A.; Lee, Kam-Pui

    1990-01-01

    Reaction rate coefficients and thermodynamic and transport properties are reviewed and supplemented for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium up to temperatures of 3000 K. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Curve fits are given for the various species properties for their efficient computation in flowfield codes. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in a high energy environment. Limitations of the approximate mixing laws are discussed for a mixture of ionized species. An electron number-density correction for the transport properties of the charged species is obtained. This correction has been generally ignored in the literature.

  4. Anomalous Transport Properties of Dense QCD in a Magnetic Field

    Science.gov (United States)

    de la Incera, Vivian

    2017-06-01

    Despite recent advancements in the study and understanding of the phase diagram of strongly interacting matter, the region of high baryonic densities and low temperatures has remained difficult to reach in the lab. Things are expected to change with the planned HIC experiments at FAIR in Germany and NICA in Russia, which will open a window to the high-density-low-temperature segment of the QCD phase map, providing a unique opportunity to test the validity of model calculations that have predicted the formation of spatially inhomogeneous phases with broken chiral symmetry at intermediate-to-high densities. Such a density region is also especially relevant for the physics of neutron stars, as they have cores that can have several times the nuclear saturation density. On the other hand, strong magnetic fields, whose presence is fairly common in HIC and in neutron stars, can affect the properties of these exotic phases and lead to signatures potentially observable in these two settings. In this paper, I examine the anomalous transport properties produced by the spectral asymmetry of the lowest Landau level (LLL) in a QCD-inspired NJL model with a background magnetic field that exhibits chiral symmetry breaking at high density via the formation of a Dual Chiral Density Wave (DCDW) condensate. It turns out that in this model the electromagnetic interactions are described by the axion electrodynamics equations and there is a dissipationless Hall current.

  5. Transport mechanism and regulatory properties of the human amino acid transporter ASCT2 (SLC1A5).

    Science.gov (United States)

    Scalise, Mariafrancesca; Pochini, Lorena; Panni, Simona; Pingitore, Piero; Hedfalk, Kristina; Indiveri, Cesare

    2014-11-01

    The kinetic mechanism of the transport catalyzed by the human glutamine/neutral amino acid transporter hASCT2 over-expressed in P. pastoris was determined in proteoliposomes by pseudo-bi-substrate kinetic analysis of the Na(+)-glutamineex/glutaminein transport reaction. A random simultaneous mechanism resulted from the experimental analysis. Purified functional hASCT2 was chemically cross-linked to a stable dimeric form. The oligomeric structure correlated well with the kinetic mechanism of transport. Half-saturation constants (Km) of the transporter for the other substrates Ala, Ser, Asn and Thr were measured both on the external and internal side. External Km were much lower than the internal ones confirming the asymmetry of the transporter. The electric nature of the transport reaction was determined imposing a negative inside membrane potential generated by K(+) gradients in the presence of valinomycin. The transport reaction resulted to be electrogenic and the electrogenicity originated from external Na(+). Internal Na(+) exerted a stimulatory effect on the transport activity which could be explained by a regulatory, not a counter-transport, effect. Native and deglycosylated hASCT2 extracted from HeLa showed the same transport features demonstrating that the glycosyl moiety has no role in transport function. Both in vitro and in vivo interactions of hASCT2 with the scaffold protein PDZK1 were revealed.

  6. Longitudinal and transverse space charge limitations on transport of maximum power beams

    International Nuclear Information System (INIS)

    Khoe, T.K.; Martin, R.L.

    1977-01-01

    The maximum transportable beam power is a critical issue in selecting the most favorable approach to generating ignition pulses for inertial fusion with high energy accelerators. Maschke and Courant have put forward expressions for the limits on transport power for quadrupole and solenoidal channels. Included in a more general way is the self consistent effect of space charge defocusing on the power limit. The results show that no limits on transmitted power exist in principal. In general, quadrupole transport magnets appear superior to solenoids except for transport of very low energy and highly charged particles. Longitudinal space charge effects are very significant for transport of intense beams

  7. [Biological and social correlates of favorable and unfavorable neurosis course].

    Science.gov (United States)

    Sarsembaev, K T

    2003-01-01

    Four hundred ninety seven patients with neurosis of Astana (Kazakhstan) community, 116 men and 381 women, have been studied. The patients were traced in 5-year follow up study. Favorable and unfavorable types of the disorder were established, the latter being characterized by transforming into neurotic personality development. The influence of endogenous and environmental factors on neurosis prognosis was examined. To elaborate adequate measures for preventing neurotic personality development, criteria for favorable and unfavorable prognosis of neurotic disorders were suggested.

  8. Fundamental investigation of the transport properties of superacids in aqueous and non-aqueous media

    Science.gov (United States)

    Suarez, Sophia

    In the quest to develop more efficient energy providers one of the main focus of research has been on the improvement of ion transport. In lithium battery research this has led to the incorporation of various lithium salts, ceramics and plasticizers into the poly(ethylene)oxide (PEO) matrix, the polymer most used In Proton Conduction Membrane (PCM) fuel cell research this has led to the development of new membranes, which are designed with to replicate Nafion's ((c)DuPont) proton transport but also improve upon its deficiency of transporting intact fuel molecules and its dependence upon the presence of solvating water molecules. To better understand the process of ion transport, NMR was used to investigate dynamic properties such as D (self-diffusion coefficient) and T1 (spin-lattice relaxation time) of various proton and lithium ion-conducting systems. Ionic conductivity and viscosity measurements were also performed. The systems studied includes aqueous superacid solutions (trifluoromethanesulfonic (TFSA), para-toluenesulfonic (PTSA) and bis(trifluoromethanesulfonyl)imide (TFSI)); nano-porous (NP-) PCM's incorporating various ceramics and 3M fuel/2M H2SO4 solutions; and P(EO)20LiBETI (LiN(SO 2CF2CF3)2 composite incorporating SiO 2 ceramic nano particles. The objective of the study of the superacid solutions was to determine the effect of concentration on the transport. It was found that beyond the ionic conductivity maximum, fluctuations in both D and T1 supports the existence of local ordering in the ionic network, caused by the reduced solvent dielectric coefficient and increasing viscosity. Of the three superacids TFSA was the most conductive and most affected by reduced solvent concentration. For the P(EO)20LiBETI composite the aim was to determine the effect of the ceramic on the ion transport of the composite in a solvent free environment. Results show that the ceramic causes only modest increase in the lithium transport below 90°C. The objective in the

  9. Scaling in public transport networks

    Directory of Open Access Journals (Sweden)

    C. von Ferber

    2005-01-01

    Full Text Available We analyse the statistical properties of public transport networks. These networks are defined by a set of public transport routes (bus lines and the stations serviced by these. For larger networks these appear to possess a scale-free structure, as it is demonstrated e.g. by the Zipf law distribution of the number of routes servicing a given station or for the distribution of the number of stations which can be visited from a chosen one without changing the means of transport. Moreover, a rather particular feature of the public transport network is that many routes service common subsets of stations. We discuss the possibility of new scaling laws that govern intrinsic properties of such subsets.

  10. Computational transport phenomena for engineering analyses

    CERN Document Server

    Farmer, Richard C; Cheng, Gary C; Chen, Yen-Sen

    2009-01-01

    Computational Transport PhenomenaOverviewTransport PhenomenaAnalyzing Transport PhenomenaA Computational Tool: The CTP CodeVerification, Validation, and GeneralizationSummaryNomenclatureReferencesThe Equations of ChangeIntroductionDerivation of The Continuity EquationDerivation of The Species Continuity EquationDerivation of The Equation Of MotionDerivation of The General Energy EquationNon-Newtonian FluidsGeneral Property BalanceAnalytical and Approximate Solutions for the Equations of ChangeSummaryNomenclatureReferencesPhysical PropertiesOverviewReal-Fluid ThermodynamicsChemical Equilibrium

  11. MASS TRANSPORT PROPERTIES OF A FLOW-THROUGH ELECTROLYTIC REACTOR USING A POROUS ELECTRODE: PERFORMANCE AND FIGURES OF MERIT FOR Pb(II REMOVAL

    Directory of Open Access Journals (Sweden)

    Bertazzoli R.

    1998-01-01

    Full Text Available The removal of lead from an acid borate-nitrate solution containing Pb(II was used to characterize the mass transport properties of an electrolytic reactor with reticulated vitreous carbon cathodes, operated in the flow-through mode. Current potential curves recorded at a rotating vitreous carbon disc electrode were used to determine the diffusion coefficient for Pb(II under the conditions of the experiments. The performance and figures of merit of the electrolytic reactor were investigated by using different flowrates and cathode porosities. Dimensionless Sherwood and Reynolds numbers were correlated to characterize the mass transport properties of the reactor, and they were fitted to the equation Sh=24Re0.32Sc0.33.

  12. Calibrated Properties Model

    International Nuclear Information System (INIS)

    Ahlers, C.; Liu, H.

    2000-01-01

    The purpose of this Analysis/Model Report (AMR) is to document the Calibrated Properties Model that provides calibrated parameter sets for unsaturated zone (UZ) flow and transport process models for the Yucca Mountain Site Characterization Project (YMP). This work was performed in accordance with the ''AMR Development Plan for U0035 Calibrated Properties Model REV00. These calibrated property sets include matrix and fracture parameters for the UZ Flow and Transport Model (UZ Model), drift seepage models, drift-scale and mountain-scale coupled-processes models, and Total System Performance Assessment (TSPA) models as well as Performance Assessment (PA) and other participating national laboratories and government agencies. These process models provide the necessary framework to test conceptual hypotheses of flow and transport at different scales and predict flow and transport behavior under a variety of climatic and thermal-loading conditions

  13. Air pollution transport to the El Tajin archaeological zone in Veracruz, Mexico

    International Nuclear Information System (INIS)

    Kahl, J.; Bravo, H.; Sosa, R.; Sanchez, P.; Alarcon, A.; Soto, R.

    2009-01-01

    Features of atmospheric transport to El Tajin, an important archaeological site in Veracruz, Mexico, are investigated. The study is motivated by the need for an increased understanding of the meteorological processes contributing to acidic precipitation at Meso american heritage sites. Using a variety of meteorological resources and analysis techniques we find that both large-scale and local meteorological forcing favor transport from easterly and northerly sources. (Author)

  14. Impact of defects on the electrical transport, optical properties and failure mechanisms of GaN nanowires.

    Energy Technology Data Exchange (ETDEWEB)

    Armstrong, Andrew M.; Aubry, Sylvie; Shaner, Eric Arthur; Siegal, Michael P.; Li, Qiming; Jones, Reese E.; Westover, Tyler; Wang, George T.; Zhou, Xiao Wang; Talin, Albert Alec; Bogart, Katherine Huderle Andersen; Harris, C. Thomas; Huang, Jian Yu

    2010-09-01

    We present the results of a three year LDRD project that focused on understanding the impact of defects on the electrical, optical and thermal properties of GaN-based nanowires (NWs). We describe the development and application of a host of experimental techniques to quantify and understand the physics of defects and thermal transport in GaN NWs. We also present the development of analytical models and computational studies of thermal conductivity in GaN NWs. Finally, we present an atomistic model for GaN NW electrical breakdown supported with experimental evidence. GaN-based nanowires are attractive for applications requiring compact, high-current density devices such as ultraviolet laser arrays. Understanding GaN nanowire failure at high-current density is crucial to developing nanowire (NW) devices. Nanowire device failure is likely more complex than thin film due to the prominence of surface effects and enhanced interaction among point defects. Understanding the impact of surfaces and point defects on nanowire thermal and electrical transport is the first step toward rational control and mitigation of device failure mechanisms. However, investigating defects in GaN NWs is extremely challenging because conventional defect spectroscopy techniques are unsuitable for wide-bandgap nanostructures. To understand NW breakdown, the influence of pre-existing and emergent defects during high current stress on NW properties will be investigated. Acute sensitivity of NW thermal conductivity to point-defect density is expected due to the lack of threading dislocation (TD) gettering sites, and enhanced phonon-surface scattering further inhibits thermal transport. Excess defect creation during Joule heating could further degrade thermal conductivity, producing a viscous cycle culminating in catastrophic breakdown. To investigate these issues, a unique combination of electron microscopy, scanning luminescence and photoconductivity implemented at the nanoscale will be used in

  15. Influence of substitutional disorder on the electrical transport and the superconducting properties of Fe1+zTe1−x−ySexSy

    International Nuclear Information System (INIS)

    Rodríguez, M.G.; Polla, G.; Ramos, C.P.; Acha, C.

    2015-01-01

    We have carried out an investigation of the structural, magnetic, transport and superconducting properties of Fe 1+z Te 1−x−y Se x S y ceramic compounds, for z = 0 and some specific Se (0 ≤ x ≤ 0.5) and S (0 ≤ y ≤ 0.12) contents. The incorporation of Se and S to the FeTe structure produces a progressive reduction of the crystallographic parameters as well as different degrees of structural disorder associated with the differences of the ionic radius of the substituting cations. In the present study, we measure transport properties of this family of compounds and we show the direct influence of disorder in the normal and superconductor states. We notice that the structural disorder correlates with a variable range hopping conducting regime observed at temperatures T > 200 K. At lower temperatures, all the samples except the one with the highest degree of disorder show a crossover to a metallic-like regime, probably related to the transport of resilient-quasi-particles associated with the proximity of a Fermi liquid state at temperatures below the superconducting transition. Moreover, the superconducting properties are depressed only for that particular sample, in accordance to the condition that superconductivity is affected by disorder when the electronic localization length ξ L becomes smaller than the coherence length ξ SC . - Highlights: • New Fe(1 + z)Te(1−x−y)Se(x)S(y) ceramic samples were synthesized. • Structural, magnetic, transport and superconducting properties are presented. • Nonmagnetic disorder determines a VRH conduction regime near room temperature. • Superconductivity is affected by disorder

  16. Molecular properties of bacterial multidrug transporters

    NARCIS (Netherlands)

    Putman, M; van Veen, HW; Konings, WN

    2000-01-01

    One of the mechanisms that bacteria utilize to evade the toxic effects of antibiotics is the active extrusion of structurally unrelated drugs from the cell. Both intrinsic and acquired multidrug transporters play an important role in antibiotic resistance of several pathogens, including Neisseria

  17. Properties of C4F7N–CO2 thermal plasmas: thermodynamic properties, transport coefficients and emission coefficients

    Science.gov (United States)

    Wu, Yi; Wang, Chunlin; Sun, Hao; Murphy, Anthony B.; Rong, Mingzhe; Yang, Fei; Chen, Zhexin; Niu, Chunpin; Wang, Xiaohua

    2018-04-01

    The thermophysical properties, including composition, thermodynamic properties, transport coefficients and net emission coefficients, of thermal plasmas formed from pure iso-C4 perfluoronitrile C4F7N and C4F7N–CO2 mixtures are calculated for temperatures from 300 to 30 000 K and pressures from 0.1 to 20 atm. These gases have received much attention as alternatives to SF6 for use in circuit breakers, due to the low global warming potential and good dielectric properties of C4F7N. Since the parameters of the large molecules formed in the dissociation of C4F7N are unavailable, the partition function and enthalpy of formation were calculated using computational chemistry methods. From the equilibrium composition calculations, it was found that when C4F7N is mixed with CO2, CO2 can capture C atoms from C4F7N, producing CO, since the system consisting of small molecules such as CF4 and CO has lower energy at room temperature. This is in agreement with previous experimental results, which show that CO dominates the decomposition products of C4F7N–CO2 mixtures; it could limit the repeated breaking performance of C4F7N. From the point of view of chemical stability, the mixing ratio of CO2 should therefore be chosen carefully. Through comparison with common arc quenching gases (including SF6, CF3I and C5F10O), it is found that for the temperature range for which electrical conductivity remains low, pure C4F7N has similar ρC p (product of mass density and specific heat) properties to SF6, and higher radiative emission coefficient, properties that are correlated with good arc extinguishing capability. For C4F7N–CO2 mixtures, the electrical conductivity is very close to that of SF6 while the ρC p peak at 7000 K caused by decomposition of CO implies inferior interruption capability to that of SF6. The calculated properties will be useful in arc simulations.

  18. Non-classical radiation transport in random media with fluctuating densities

    International Nuclear Information System (INIS)

    Dyuldya, S.V.; Bratchenko, M.I.

    2012-01-01

    The ensemble averaged propagation kernels of the non-classical radiation transport are studied by means of the proposed application of the stochastic differential equation random medium generators. It is shown that the non-classical transport is favored in long-correlated weakly fluctuating media. The developed kernel models have been implemented in GEANT4 and validated against the d ouble Monte Carlo m odeling of absorptions curves of disperse neutron absorbers and γ-albedos from a scatterer/absorber random mix

  19. Interplay between structure and transport properties of molten salt mixtures of ZnCl2-NaCl-KCl: A molecular dynamics study.

    Science.gov (United States)

    Manga, Venkateswara Rao; Swinteck, Nichlas; Bringuier, Stefan; Lucas, Pierre; Deymier, Pierre; Muralidharan, Krishna

    2016-03-07

    Molten mixtures of network-forming covalently bonded ZnCl2 and network-modifying ionically bonded NaCl and KCl salts are investigated as high-temperature heat transfer fluids for concentrating solar power plants. Specifically, using molecular dynamics simulations, the interplay between the extent of the network structure, composition, and the transport properties (viscosity, thermal conductivity, and diffusion) of ZnCl2-NaCl-KCl molten salts is characterized. The Stokes-Einstein/Eyring relationship is found to break down in these network-forming liquids at high concentrations of ZnCl2 (>63 mol. %), while the Eyring relationship is seen with increasing KCl concentration. Further, the network modification due to the addition of K ions leads to formation of non-bridging terminal Cl ions, which in turn lead to a positive temperature dependence of thermal conductivity in these melts. This new understanding of transport in these ternary liquids enables the identification of appropriate concentrations of the network formers and network modifiers to design heat transfer fluids with desired transport properties for concentrating solar power plants.

  20. Electrical transport properties of calcium and barium aluminates

    NARCIS (Netherlands)

    Metselaar, R.; Hoefsloot, A.M.

    1987-01-01

    Electrical conductivity and ionic transport numbers have been measured of barium and calcium aluminates with composition CaO·nAl2O3 (n=7/12, 1, 2, 6) and 0.82 BaO·6Al2O3. At room temperatures these compounds are insulators, but at high temperatures mixed conductivity is observed. Ionic transport