CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

NASA Technical Reports Server (NTRS)

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

Electrokinetic transport properties of deoxynucleotide monophosphates (dNMPs) through thermoplastic nanochannels.

PubMed

O'Neil, Colleen; Amarasekara, Charuni A; Weerakoon-Ratnayake, Kumuditha M; Gross, Bethany; Jia, Zheng; Singh, Varshni; Park, Sunggook; Soper, Steven A

2018-10-16

The electrokinetic behavior of molecules in nanochannels (<100 nm in length) have generated interest due to the unique transport properties observed that are not seen in microscale channels. These nanoscale dependent transport properties include transverse electromigration arising from partial electrical double layer overlap, enhanced solute/wall interactions due to the small channel diameter, and field-dependent intermittent motion produced by surface roughness. In this study, the electrokinetic transport properties of deoxynucleotide monophosphates (dNMPs) were investigated, including the effects of electric field strength, surface effects, and composition of the carrier electrolyte (ionic concentration and pH). The dNMPs were labeled with a fluorescent reporter (ATTO 532) to allow tracking of the electrokinetic transport of the dNMPs through a thermoplastic nanochannel fabricated via nanoimprinting (110 nm × 110 nm, width × depth, and 100 μm in length). We discovered that the transport properties in plastic nanochannels of the dye-labeled dNMPs produced differences in their apparent mobilities that were not seen using microscale columns. We built histograms for each dNMP from their apparent mobilities under different operating conditions and fit the histograms to Gaussian functions from which the separation resolution could be deduced as a metric to gage the ability to identify the molecule based on their apparent mobility. We found that the resolution ranged from 0.73 to 2.13 at pH = 8.3. Changing the carrier electrolyte pH > 10 significantly improved separation resolution (0.80-4.84) and reduced the standard deviation in the Gaussian fit to the apparent mobilities. At low buffer concentrations, decreases in separation resolution and increased standard deviations in Gaussian fits to the apparent mobilities of dNMPs were observed due to the increased thickness of the electric double layer leading to a partial parabolic flow profile

Properties of transported African mineral dust aerosols in the Mediterranean region

NASA Astrophysics Data System (ADS)

Denjean, Cyrielle; Chevaillier, Servanne; Gaimoz, Cécile; Grand, Noel; Triquet, Sylvain; Zapf, Pascal; Loisil, Rodrigue; Bourrianne, Thierry; Freney, Evelyn; Dupuy, Regis; Sellegri, Karine; Schwarzenbock, Alfons; Torres, Benjamin; Mallet, Marc; Cassola, Federico; Prati, Paolo; Formenti, Paola

2015-04-01

The transport of mineral dust aerosols is a global phenomenon with strong climate implications. Depending on the travel distance over source regions, the atmospheric conditions and the residence time in the atmosphere, various transformation processes (size-selective sedimentation, mixing, condensation of gaseous species, and weathering) can modify the physical and chemical properties of mineral dust, which, in turn, can change the dust's optical properties. The model predictions of the radiative effect by mineral dust still suffer of the lack of certainty of these properties, and their temporal evolution with transport time. Within the frame of the ChArMex project (Chemistry-Aerosol Mediterranean experiment, http://charmex.lsce.ipsl.fr/), one intensive airborne campaign (ADRIMED, Aerosol Direct Radiative Impact in the regional climate in the MEDiterranean region, 06 June - 08 July 2013) has been performed over the Central and Western Mediterranean, one of the two major transport pathways of African mineral dust. In this study we have set up a systematic strategy to determine the optical, physical and optical properties of mineral dust to be compared to an equivalent dataset for dust close to source regions in Africa. This study is based on airborne observations onboard the SAFIRE ATR-42 aircraft, equipped with state of the art in situ instrumentation to measure the particle scattering and backscattering coefficients (nephelometer at 450, 550, and 700 nm), the absorption coefficient (PSAP at 467, 530, and 660 nm), the extinction coefficient (CAPS at 530 nm), the aerosol optical depth (PLASMA at 340 to 1640 nm), the size distribution in the extended range 40 nm - 30 µm by the combination of different particle counters (SMPS, USHAS, FSSP, GRIMM) and the chemical composition obtained by filter sampling. The chemistry and transport model CHIMERE-Dust have been used to classify the air masses according to the dust origin and transport. Case studies of dust transport

Transport processes in partially saturate concrete: Testing and liquid properties

NASA Astrophysics Data System (ADS)

Villani, Chiara

properties and pore structure information as inputs. Concrete exposed to deicing salts resulted to have a reduced gas transport due to the higher degree of saturation (DOS). The higher DOS is believed to contribute to the premature deterioration observed in concrete pavements exposed to deicing salts. Moisture diffusion and moisture profiles in concrete are known to directly relate with the stresses generated during shrinkage and creep mechanisms. The alteration due to the presence of shrinkage reducing admixtures on drying was also investigated in this work. Liquid properties were used to predict the diffusion coefficient in presence of SRA. Moisture profiles obtained using Fick's second law for diffusion were compared to relative humidity profiles measured on concrete slabs. Results confirm that a qualitative prediction of drying in concrete elements is realistic when using this type of approach.

Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

NASA Technical Reports Server (NTRS)

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.

Transport Properties of Ionic Liquid Mixtures Containing Heterodications

DOE PAGES

Lall-Ramnarine, S.; Fernandez, E.; Rodriguez, C.; ...

2016-08-30

This report discusses the transport properties of ionic liquid mixtures that incorporate a series of asymmetrical dications, including heterodications. The dicationic ILs combine either triphenylphosphonium and trimethylammonium cationic sites that are bridged to methylimidazolium or methylpyrrolidinium cationic sites. Mixtures were made of the dicationic bis(trifluoromethylsulfonyl)amide ionic liquids with N-ethoxyethyl-N-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide. The IL mixtures were characterized for their transport properties (temperature dependent conductivity and viscosity) and thermal properties (melting point and glass transition point).

Low-temperature dependence of the thermomagnetic transport properties of the SrTiO3/LaAlO3 interface

NASA Astrophysics Data System (ADS)

Lerer, S.; Ben Shalom, M.; Deutscher, G.; Dagan, Y.

2011-08-01

Transport measurements are reported, including Hall, Seebeck, and Nernst effects. All of these transport properties exhibit anomalous field and temperature dependencies, with a change of behavior observed at H˜1.5 T and T˜15 K. The low-temperature, low-field behaviors of all transport properties were reconciled using a simple two-band analysis. A more detailed model is required in order to explain the high-magnetic-field regime.

Properties of interfaces and transport across them.

PubMed

Cabezas, H

2000-01-01

Much of the biological activity in cell cytoplasm occurs in compartments some of which may be formed, as suggested in this book, by phase separation, and many of the functions of such compartments depend on the transport or exchange of molecules across interfaces. Thus a fundamentally based discussion of the properties of phases, interfaces, and diffusive transport across interfaces has been given to further elucidate these phenomena. An operational criterion for the width of interfaces is given in terms of molecular and physical arguments, and the properties of molecules inside phases and interfaces are discussed in terms of molecular arguments. In general, the properties of the interface become important when the molecules diffusing across are smaller than the width of the interface. Equilibrium partitioning, Donnan phenomena, and electrochemical potentials at interfaces are also discussed in detail. The mathematical expressions for modeling transport across interfaces are discussed in detail. These describe a practical and detailed model for transport across interfaces. For molecules smaller than the width of the interface, this includes a detailed model for diffusion inside the interface. Last, the question of the time scale for phase formation and equilibration in biological systems is discussed.

Reservoir transport and poroelastic properties from oscillating pore pressure experiments

NASA Astrophysics Data System (ADS)

Hasanov, Azar K.

Hydraulic transport properties of reservoir rocks, permeability and storage capacity are traditionally defined as rock properties, responsible for the passage of fluids through the porous rock sample, as well as their storage. The evaluation of both is an important part of any reservoir characterization workflow. Moreover, permeability and storage capacity are main inputs into any reservoir simulation study, routinely performed by reservoir engineers on almost any major oil and gas field in the world. An accurate reservoir simulation is essential for production forecast and economic analysis, hence the transport properties directly control the profitability of the petroleum reservoir and their estimation is vital for oil and gas industry. This thesis is devoted to an integrated study of reservoir rocks' hydraulic, streaming potential and poroelastic properties as measured with the oscillating pore pressure experiment. The oscillating pore pressure method is traditionally used to measure hydraulic transport properties. We modified the method and built an experimental setup, capable of measuring all aforementioned rock properties simultaneously. The measurements were carried out for four conventional reservoir-rock quality samples at a range of oscillation frequencies and effective stresses. An apparent frequency dependence of permeability and streaming potential coupling coefficient was observed. Measured frequency dispersion of drained poroelastic properties indicates an intrinsically inelastic nature of the porous mineral rock frame. Standard Linear Model demonstrated the best fit to the experimental dispersion data. Pore collapse and grain crushing effects took place during hydrostatic loading of the dolomitic sample and were observed in permeability, coupling coefficient and poroelastic measurements simultaneously. I established that hydraulically-measured storage capacities are overestimated by almost one order of magnitude when compared to elastically

Modulation of charge transport properties in poly(3,4-ethylenedioxythiophene) nanocomposites for thermoelectric applications

NASA Astrophysics Data System (ADS)

Galliani, Daniela; Battiston, Simone; Ruffo, Riccardo; Trabattoni, Silvia; Narducci, Dario

2018-01-01

Conjugated polymer poly(3,4-dioxyethylenthiofene) (PEDOT) has recently gained attention for room-temperature thermoelectric applications due to its low cost, safety and the possibility of easy processing. This makes it an interesting prospective alternative to tellurides commonly used around room temperature. Still, low thermoelectric efficiencies of polymers might be more easily increased, were a model of its transport properties available. The aim of this paper is to validate a model recently reported, making use of the concept of transport energy to frame the onset of transport properties reported over the last few years in the literature. To this aim, PEDOT and PEDOT-based nanocomposites embedding CuO nanoplatelets were prepared and analysed. We found that the model adequately fits the trends observed in pure PEDOT and in its nanocomposites. Transport and Fermi energy were verified to depend on the polymer oxidation level only,while the transport coefficient was found to be sensitive to PEDOT stacking and was modulated by the introduction of CuO nanoplatelets.

Transport properties of CNT/oligosilane/CNT heterojunctions

NASA Astrophysics Data System (ADS)

Yu, J.; Zhang, G. L.; Shang, Y.; Wang, K. D.; Zhang, H.; Sun, M.; Liu, B.; Zeng, T.

2013-02-01

Combining the non-equilibrium Green's function formalism with density functional theory, the transport properties of nine CNT/oligosilane/CNT heterojunctions were systematically studied. We have found that the incorporation of oligosilane linkage to the carbon nanotube mouth could significantly tune the transport properties compared with the pure oligosilane and pure CNT. The P- and B-dopings upon the oligosilane moiety could not only enhance the conductivity but also give rise to multiple negative differential resistance behavior for the CNT/oligosilane/CNT heterojunctions. The concentration of heteroatom plays an important role in the transport properties of the CNT/oligosilane/CNT heterojunctions, while the number of the oligosilane linkage exerts little effect on the conductivity. The B-doped CNT/oligosilane/CNT heterojunctions show higher conductivity than those of the P-doped ones. The p-n junction caused by B- and P-codopings exhibits a rectifying effect and the rectification ratio is up to 7.19.

Optoelectronic properties and depth profile of charge transport in nanocrystal films

NASA Astrophysics Data System (ADS)

Aigner, Willi; Bienek, Oliver; Desta, Derese; Wiggers, Hartmut; Stutzmann, Martin; Pereira, Rui N.

2017-07-01

We investigate the charge transport in nanocrystal (NC) films using field effect transistors (FETs) of silicon NCs. By studying films with various thicknesses in the dark and under illumination with photons with different penetration depths (UV and red light), we are able to predictably change the spatial distribution of charge carriers across the films' profile. The experimental data are compared with photoinduced charge carrier generation rates computed using finite-difference time-domain (FDTD) simulations complemented with optical measurements. This enables us to understand the optoelectronic properties of NC films and the depth profile dependence of the charge transport properties. From electrical measurements, we extract the total (bulk) photoinduced charge carrier densities (nphoto) and the photoinduced charge carrier densities in the FETs channel (nphoto*). We observe that the values of nphoto and their dependence on film thickness are similar for UV and red light illumination, whereas a significant difference is observed for the values of nphoto*. The dependencies of nphoto and nphoto* on film thickness and illumination wavelength are compared with data from FDTD simulations. Combining experimental data and simulation results, we find that charge carriers in the top rough surface of the films cannot contribute to the macroscopic charge transport. Moreover, we conclude that below the top rough surface of NC films, the efficiency of charge transport, including the charge carrier mobility, is homogeneous across the film thickness. Our work shows that the use of NC films as photoactive layers in applications requiring harvesting of strongly absorbed photons such as photodetectors and photovoltaics demands a very rigorous control over the films' roughness.

Impact of long-range transport pollution on aerosol properties over West Africa: observations during the DACCIWA airborne campaign

NASA Astrophysics Data System (ADS)

Denjean, Cyrielle; Bourrianne, Thierry; Burnet, Frederic; Deroubaix, Adrien; Brito, Joel; Dupuy, Régis; Colomb, Aurélie; Schwarzenboeck, Alfons; Sellegri, Karine; Chazette, Patrick; Duplissy, Jonathan; Flamant, Cyrille

2017-04-01

Southern West Africa (SWA) is a region highly vulnerable to climate change. Emissions of anthropogenic pollution have increased substantially over the past decades in the region and are projected to keep increasing. The region is also strongly impacted by important natural pollution from distant locations. Biomass burning mainly from vegetation fires in Central Africa and mineral dust from the Saharan and Sahel-Sudan regions are advected by winds to the SWA region especially in summer. Both biomass burning and mineral dust aerosols scatter and absorb solar radiation and are able to significantly modify the regional radiative budget. Presently, the potential radiative impact of dust and biomass burning particles on SWA is unclear due to inadequate data information on the aerosols properties and vertical distribution. In the framework of the Dynamics-Aerosol-Chemistry-Cloud Interactions in West Africa (DACCIWA) project, an unprecedented field campaign took place in summer 2016 in West Africa. The ATR-42 research aircraft operated by SAFIRE performed twenty flights to sample the local air pollution from maritime traffic and coastal megacities, as well as regional pollution from biomass burning and desert dust. The aircraft was equipped with state of the art in situ instrumentation to measure the aerosol optical properties (CAPS, nephelometer, PSAP), the aerosol size distribution (SMPS, GRIMM, USHAS, PCASP, FSSP) and the aerosol chemical composition (SP2, AMS). A mini backscattered lidar system provided additional measurements of the aerosol vertical structure and the aerosol optical properties such as the particulate depolarization ratio. The CHIMERE chemistry and transport model has been used to characterize the source area and the long-range transport of dust and biomass burning plumes. Here, we investigate the aerosol microphysical, chemical and optical properties of biomass burning and dust aerosols transported in SWA. In particular the following questions will be

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

NASA Astrophysics Data System (ADS)

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

Modelling the optical properties of aerosols in a chemical transport model

NASA Astrophysics Data System (ADS)

Andersson, E.; Kahnert, M.

2015-12-01

According to the IPCC fifth assessment report (2013), clouds and aerosols still contribute to the largest uncertainty when estimating and interpreting changes to the Earth's energy budget. Therefore, understanding the interaction between radiation and aerosols is both crucial for remote sensing observations and modelling the climate forcing arising from aerosols. Carbon particles are the largest contributor to the aerosol absorption of solar radiation, thereby enhancing the warming of the planet. Modelling the radiative properties of carbon particles is a hard task and involves many uncertainties arising from the difficulties of accounting for the morphologies and heterogeneous chemical composition of the particles. This study aims to compare two ways of modelling the optical properties of aerosols simulated by a chemical transport model. The first method models particle optical properties as homogeneous spheres and are externally mixed. This is a simple model that is particularly easy to use in data assimilation methods, since the optics model is linear. The second method involves a core-shell internal mixture of soot, where sulphate, nitrate, ammonia, organic carbon, sea salt, and water are contained in the shell. However, by contrast to previously used core-shell models, only part of the carbon is concentrated in the core, while the remaining part is homogeneously mixed with the shell. The chemical transport model (CTM) simulations are done regionally over Europe with the Multiple-scale Atmospheric Transport and CHemistry (MATCH) model, developed by the Swedish Meteorological and Hydrological Institute (SMHI). The MATCH model was run with both an aerosol dynamics module, called SALSA, and with a regular "bulk" approach, i.e., a mass transport model without aerosol dynamics. Two events from 2007 are used in the analysis, one with high (22/12-2007) and one with low (22/6-2007) levels of elemental carbon (EC) over Europe. The results of the study help to assess the

Transport properties associated with carbon-phenolic ablators

NASA Technical Reports Server (NTRS)

Biolsi, L.

1982-01-01

Entry vehicle heat shields designed for entry into the atmosphere of the outer planets are usually made of carbonaceous material such as carbon-phenolic ablator. Ablative injection of this material is an important mechanism for reducing the heat at the surface of the entry vehicle. Conductive transport properties in the shock layer are important for some entry conditions. The kinetic theory of gases has been used to calculate the transport properties for 17 gaseous species obtained from the ablation of carbon-phenolic heat shields. Results are presented for the pure species and for the gas mixture.

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

USGS Publications Warehouse

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.

Transport properties in magnetic field of Pb1-xSnxTe alloys doped with Indium

NASA Astrophysics Data System (ADS)

Jovovic, V.; Joottu-Thiagaraj, S.; West, J.; Heremans, J. P.; Khokhlov, D.

2007-03-01

The galvanomagnetic and thermomagnetic transport properties of single-crystal In-doped Pb1-xSnxTe are presented as a function of Sn (10 to 30%) and In (0 to 10%) concentrations. The concept is that the In level might pin the Fermi energy in a position with and enhanced density of states, which might increase the thermoelectric figure of merit. The transport properties were measured in a transverse magnetic field and at temperatures varying from 80 to 380K. Depending on the Sn concentrations, the prepared samples are p and n type semiconductors. The measurements of the electrical conductivity, Hall, Seebeck and transverse Nernst-Ettingshausen effects yield the carrier density and mobility, the density of states effective mass, and the scattering exponent, following the method of the four coefficients. The transport properties are interpreted in terms of hybridization of the In levels and density of state of the host alloy and observations are discussed in terms of Mahan-Sofo theory. The model provides an explanation for unexpected variation in thermoelectric and thermomagnetic properties of these alloys.

Transport properties of elastically coupled fractional Brownian motors

NASA Astrophysics Data System (ADS)

Lv, Wangyong; Wang, Huiqi; Lin, Lifeng; Wang, Fei; Zhong, Suchuan

2015-11-01

Under the background of anomalous diffusion, which is characterized by the sub-linear or super-linear mean-square displacement in time, we proposed the coupled fractional Brownian motors, in which the asymmetrical periodic potential as ratchet is coupled mutually with elastic springs, and the driving source is the external harmonic force and internal thermal fluctuations. The transport mechanism of coupled particles in the overdamped limit is investigated as the function of the temperature of baths, coupling constant and natural length of the spring, the amplitude and frequency of driving force, and the asymmetry of ratchet potential by numerical stimulations. The results indicate that the damping force involving the information of historical velocity leads to the nonlocal memory property and blocks the traditional dissipative motion behaviors, and it even plays a cooperative role of driving force in drift motion of the coupled particles. Thus, we observe various non-monotonic resonance-like behaviors of collective directed transport in the mediums with different diffusion exponents.

Electrical and Thermal Transport Property Studies of High-Temperature Thermoelectric Materials.

DTIC Science & Technology

1984-12-15

Transport Property Studies of High-Temperature Thermoelectric Mateial 12. PERSONAL AUTHIOR(S) 113. TYPE OF REPORT 13b. TIME COVERED Ai DATE OF REPORtT (Yr...with an ABO(3 perovskite structure. Transport properties have been determined for various doping ele- ments and for different compositions. These data...THERMAL TRANSPORT PROPERTY STUDIES Unannounced [j OF HIGH-TEMPERATURE THERMOELECTRIC MATERIALS Justi±icI iou. CONTRACT F-49620-83-0109 DEF By-- Battelle

Observation of Dust Aging Processes During Transport from Africa into the Caribbean - A Lagrangian Case Study

NASA Astrophysics Data System (ADS)

Weinzierl, B.; Sauer, D. N.; Walser, A.; Dollner, M.; Reitebuch, O.; Gross, S.; Chouza, F.; Ansmann, A.; Toledano, C.; Freudenthaler, V.; Kandler, K.; Schäfler, A.; Baumann, R.; Tegen, I.; Heinold, B.

2014-12-01

Aerosol particles are regularly transported over long distances impacting air quality, health, weather and climate thousands of kilometers downwind of the source. During transport, particle properties are modified thereby changing the associated impact on the radiation budget. Although mineral dust is of key importance for the climate system many questions such as the change of the dust size distribution during long-range transport, the role of wet and dry removal mechanisms, and the complex interaction between mineral dust and clouds remain open. In June/July 2013, the Saharan Aerosol Long-range Transport and Aerosol-Cloud-Interaction Experiment (SALTRACE: http://www.pa.op.dlr.de/saltrace) was conducted to study the transport and transformation of Saharan mineral dust. Besides ground-based lidar and in-situ instruments deployed on Cape Verde, Barbados and Puerto Rico, the DLR research aircraft Falcon was equipped with an extended aerosol in-situ instrumentation, a nadir-looking 2-μm wind lidar and instruments for standard meteorological parameters. During SALTRACE, five large dust outbreaks were studied by ground-based, airborne and satellite measurements between Senegal, Cape Verde, the Caribbean, and Florida. Highlights included the Lagrangian sampling of a dust plume in the Cape Verde area on 17 June which was again measured with the same instrumentation on 21 and 22 June 2013 near Barbados. Between Cape Verde and Barbados, the aerosol optical thickness (500 nm) decreased from 0.54 to 0.26 and the stratification of the dust layers changed significantly from a rather homogenous structure near Africa to a 3-layer structure with embedded cumulus clouds in the Caribbean. In the upper part of the dust layers in the Caribbean, the aerosol properties were similar to the observations near Africa. In contrast, much more variability in the dust properties was observed between 0.7 and 2.5 km altitude probably due to interaction of the mineral dust with clouds. In our

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

NASA Astrophysics Data System (ADS)

Sarath Kumar, S. R.; Abutaha, Anas I.; Hedhili, M. N.; Alshareef, H. 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.

Electrical transport properties of epitaxial titanium nitride nanowire

NASA Astrophysics Data System (ADS)

Makise, K.; Shinozaki, B.

2018-03-01

We have measured the transport properties of epitaxial titanium nitride (TiN) nanowires. Epitaxial TiN layer, deposited by dc magnetron sputtering on MgO(100) substrates at growth temperature T = 1073 K. Samples of nanowire were fabricated by e-beam lithography and reactive ion etching. Although TiN films with 100 nm-thickness have superconducting transition temperature T C ∼ 5 K, nanowires does not appear resistive transition until 0.15 K. The magnetoresistance (MR) are always negative. Furthermore for MR experimental results, we attempt to fit the data using one-dimensional weak localization theory. In addition we observed oscillations of magnetoresistance below 5 K.

Studies on transport properties of copper doped tungsten diselenide single crystals

NASA Astrophysics Data System (ADS)

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.

Optical and thermal-transport properties of an inhomogeneous d-wave superconductor.

PubMed

Atkinson, W A; Hirschfeld, P J

2002-05-06

We calculate transport properties of disordered 2D d-wave superconductors from solutions of the Bogoliubov-de Gennes equations, and show that weak localization effects give rise to a finite-frequency peak in the optical conductivity similar to that observed in experiments on disordered cuprates. At low energies, order parameter inhomogeneities induce linear and quadratic temperature dependencies in microwave and thermal conductivities respectively, and appear to drive the system towards a quasiparticle insulating phase.

Transport properties in nontwist area-preserving maps

DOE PAGES

Szezech Jr., J. D.; Caldas, I. L.; Lopes, S. R.; ...

2009-10-23

Nontwist systems, common in the dynamical descriptions of fluids and plasmas, possess a shearless curve with a concomitant transport barrier that eliminates or reduces chaotic transport, even after its breakdown. In order to investigate the transport properties of nontwist systems, we analyze the barrier escape time and barrier transmissivity for the standard nontwist map, a paradigm of such systems. We interpret the sensitive dependence of these quantities upon map parameters by investigating chaotic orbit stickiness and the associated role played by the dominant crossing of stable and unstable manifolds.

Electronic transport properties of some liquid semiconductor

NASA Astrophysics Data System (ADS)

Sonvane, Y. A.; Thakor, P. B.; Jani, A. R.

2012-06-01

Electronic transport properties like electrical resistivity (ρ) and thermoelectric power (Q) of liquid semiconductor (Si, Ga, Ge, In, Sn, Tl and Bi) are calculated in the present study. Our well established single parametric model potential alongwith Percus Yevick hard sphere (PYHS) reference system are used to describe the structural information. To see the influence of exchange and correlation effect, Hartree, Taylor and Sarkar et al local field correlation functions are used. From present results, it is seen that good agreements between present results and experimental data have been achieved. Lastly we conclude that our model potential successfully produces the data of electronic transport properties for some liquid semiconductor (Si, Ga, Ge, In, Sn, Tl and Bi).

π-π Interaction among violanthrone molecules: observation, enhancement, and resulting charge transport properties.

PubMed

Shi, Min-Min; Chen, Yi; Nan, Ya-Xiong; Ling, Jun; Zuo, Li-Jian; Qiu, Wei-Ming; Wang, Mang; Chen, Hong-Zheng

2011-02-03

To investigate the relationship between π-π stacking and charge transport property of organic semiconductors, a highly soluble violanthrone derivative, 16,17-bis(2-ethylhexyloxy)anthra[9,1,2-cde-]benzo[rst]pentaphene-5,10-dione (3), is designed and synthesized. The π-π stacking behavior and the aggregation of compound 3 in both solution and thin film were studied in detail by (1)H nuclear magnetic resonance (NMR) spectroscopy, ultraviolet-visible (UV-vis) absorption, X-ray diffraction (XRD), and atomic force microscopy (AFM). When (1)H NMR spectroscopy and theoretical modeling results were combined, the arrangements of compound 3 molecules in the aggregates are demonstrated, where the dipole moments of the two adjacent molecules are nearly reversed to achieve efficient intermolecular π-π overlapping. Furthermore, it is interesting to find that the π-π stacking of compound 3, in both solution and thin films, can be enhanced by introducing a poor solvent n-hexane into the dilute chloroform solution. The resulting film exhibits more red-shifted absorption and higher crystallinity than the film made from pure chloroform solvent, suggesting that π-π interactions in the solid state are intensified by the poor solvent. Organic field-effect transistors (OFETs) with compound 3 film as the transportation layer were fabricated. It is disclosed that the compound 3 film obtained from the chloroform/n-hexane mixed solvents exhibits 1 order of magnitude higher hole mobility than that from the pure chloroform solvent because of the enhanced π-π interactions and the higher crystallinity in the former film. This work provided us valuable information in the improvement of electronic and optoelectronic performances of organic semiconductors by tuning their aggregate structures.

Transport, noise, and conservation properties in gyrokinetic plasmas

NASA Astrophysics Data System (ADS)

Jenkins, Thomas

2005-10-01

The relationship between various transport properties (such as particle and heat flux, entropy production, heating, and collisional dissipation) [1] is examined in electrostatic gyrokinetic simulations of ITG modes in simple geometry. The effect of the parallel velocity nonlinearity on the achievement of steady-state solutions and the transport properties of these solutions is examined; the effects of nonadiabatic electrons are also considered. We also examine the effectiveness of the electromagnetic split-weight scheme [2] in reducing the noise and improving the conservation properties (energy, momentum, particle number, etc.) of gyrokinetic plasmas. [1] W. W. Lee and W. M. Tang, Phys. Fluids 31, 612 (1988). [2] W. W. Lee, J. L. V. Lewandowski, T. S. Hahm, and Z.Lin, Phys. Plasmas 8, 4435 (2001).

Oxygen transport properties estimation by DSMC-CT simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bruno, Domenico; Frezzotti, Aldo; Ghiroldi, Gian Pietro

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 ofmore » 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.« less

Transport properties of correlated metals: A dynamical mean field theory perspective

NASA Astrophysics Data System (ADS)

Deng, Xiaoyu

Strongly correlated metals, including many transition metal oxides, are characterized by unconventional transport properties with anomalous temperature dependence. For example, in many systems Fermi liquid behavior holds only below an extremely low temperature while at high temperature these bad metals have large resistivity which exceeds the Mott-Ioffe-Regel (MIR) limit. Material specific calculation of these anomalous transport properties is an outstanding challenge. Recent advances enabled us to study the transport and optical properties of two archetypal correlated oxides, vanadium oxides and ruthenates, using the LDA +DMFT method. In V2O3, the prototypical Mott system, our computed resistivity and optical conductivity are in very good agreement with experimental measurements, which clearly demonstrates that the strong correlation dominates the transport of this material. Furthermore by expressing the resistivity in terms of an effective plasma frequency and an effective scattering rate, we uncover the so-called ''hidden Fermi liquid'' [1, 2, 3] behavior, in both the computed and measured optical response of V2O3. This paradigm explains the optics and transport in other materials such as NdNiO3 film and CaRuO3. In the ruthenates family, we carried out a systematical theoretical study on the transport properties of four metallic members, Sr2RuO4, Sr3Ru2O7, SrRuO3 and CaRuO3, which generally encapsulates the gradually structure evolution from two-dimension to three dimension. With a unified computational scheme, we are able to obtain the electronic structure and transport properties of all these materials. The computed effective mass enhancement, resistivity and optical conductivity are good agreement with experimental measurements, which indicates that electron-electron scattering dominates the transport of ruthenates. We explain why the single layered compound Sr2RuO4 has a relative weak correlation with respect to its siblings, which corroborates its good

Transport properties of Y1-xNdxCo2 compounds

NASA Astrophysics Data System (ADS)

Uchima, K.; Takeda, M.; Zukeran, C.; Nakamura, A.; Arakaki, N.; Komesu, S.; Takaesu, Y.; Hedo, M.; Nakama, T.; Yagasaki, K.; Uwatoko, Y.; Burkov, A. T.

2012-12-01

Electrical resistivity ρ and thermopower S of light rare earth-based pseudo-binary Y1-xNdxCo2 alloys have been measured at temperatures from 2 K to 300 K and under pressures up to 3.5 GPa. The Curie temperature of the alloys, TC, determined from characteristic features in the temperature dependences of the transport properties, decreases with decreasing Nd concentration x and vanishes around xc = 0.3. The residual resistivity has a pronounced maximum at x = xc. The temperature coefficient of thermopower dS/dT at low temperature limit shows a complex dependence on alloy composition: it changes its sign from negative to positive at x ≍ 0.2, having a maximum at x = xc, and is nearly composition independent at x > 0.5. The pressure dependences of TC and ρ0 of Yo.6Ndo.4Co2 reveal the behavior similar to that observed in the Y1-xRxHCo2 (RH = heavy rare earth) alloy systems, which implies that the magnetic state of the Co-3d electron subsystem is responsible for the transport properties in the Y1-xNdxCo2 alloys.

Effective transport properties of composites of spheres

NASA Astrophysics Data System (ADS)

Felderhof, B. U.

1994-06-01

The effective linear transport properties of composites of spheres may be studied by the methods of statistical physics. The analysis leads to an exact cluster expansion. The resulting expression for the transport coefficients may be evaluated approximately as the sum of a mean field contribution and correction terms, given by cluster integrals over two-sphere and three-sphere correlation functions. Calculations of this nature have been performed for the effective dielectric constant, as well as the effective elastic constants of composites of spheres. Accurate numerical data for the effective properties may be obtained by computer simulation. An efficient formulation uses multiple expansion in Cartesian coordinates and periodic boundary conditions. Extensive numerical results have been obtained for the effective dielectric constant of a suspension of randomly distributed spheres.

Electrical and Thermal Transport Property Studies of High-Temperature Thermoelectric Materials.

DTIC Science & Technology

1985-06-01

THERMAL TRANSPORT PROPERTY STUDIES OF HIGH-TEMPERATURE THERMOELECTRIC MATERIALS: INTERIM TECHNICAL REPORT FOR THE PERIOD MAY 15, 1984 TO MAY 15, 1985 J. L...transport property data base has been expanded oy continued measurements in several systems under study, and a theoretical model for thermoelectric ...6.0 REFERENCES . . . . . . . . . . . . 6.1 APPENDIX A - THERMOELECTRIC PROPERTY DATA . . . . . . . A. I 1l FIGURES 3.1 Dimensionless Figure of Merit

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

NASA Astrophysics Data System (ADS)

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.

Transport properties of porous media from the microstructure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Torquato, S.

The determination of the effective transport properties of a random porous medium remains a challenging area of research because the properties depend on the microstructure in a highly complex fashion. This paper reviews recent theoretical and experimental progress that we have made on various aspects of this problem. A unified approach is taken to characterize the microstructure and the seemingly disparate properties of the medium.

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

NASA Astrophysics Data System (ADS)

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

Optical Properties of Aerosol Types from Satellite and Ground-based Observations

NASA Astrophysics Data System (ADS)

Lin, Tang-Huang; Liu, Gin-Rong; Liu, Chian-Yi

2014-05-01

In this study, the properties of aerosol types are characterized from the aspects of remote sensing and in situ measurements. Particles of dust, smoke and anthropogenic pollutant are selected as the principal types in the study. The measurements of AERONET sites and MODIS data, during the dust storm and biomass burning events in the period from 2002 to 2008, suggest that the aerosol species can be discriminated sufficiently based on the dissimilarity of AE (Ångström exponent) and SSA (single scattering albedo) properties. However, the physicochemical characteristics of source aerosols can be altered after the external/internal combination along the pathway of transportation, thus induce error to the satellite retrievals. In order to eliminate from this kind of errors, the optical properties of mixed aerosols (external) are also simulated with the database of dust and soot aggregates in this study. The preliminary results show that SSA value (at 470 nm) of mineral dust may decay 5-11 % when external mixed with 15-30 % soot aggregates, then result in 11-22 % variation of reflectance observed from satellite which could lead to sufficiently large uncertainty on the retrieval of aerosol optical thickness. As a result, the effect of heterogeneous mixture should be taken into account for more accurate retrieval of aerosol properties, especially after the long-range transport. Keywords: Aerosol type, Ångström exponent, Single scattering albedo, AERONET, MODIS, External mixture

Entrainment and Optical Properties of an Elevated Forest Fire Plume Transported into the Planetary Boundary Layer near Washington, D.C.

NASA Technical Reports Server (NTRS)

Colarco, P. R.; Schoeberl, M. R.; Marufu, L. T.; Torres, O.; Welton, E. J.; Doddridge, B. G.

2003-01-01

Smoke and pollutants from Canadian forest fires were transported over the northeastern United States in July 2002. Lidar observations at the NASA Goddard Space Flight Center show the smoke from these fires arriving in an elevated plume that was subsequently transported to the surface. Trajectory and three-dimensional model calculations confirm the origin of the smoke and show that it mixed to the surface after it was intercepted by the turbulent planetary boundary layer. Modeled smoke optical properties agreed well with aircraft and remote sensing observations provided coagulation of smoke particles was accounted for in the model. Our results have important implications for the long-range transport of pollutants and their subsequent entrainment to the surface, as well as the evolving optical properties of smoke from boreal forest fires.

Advective transport observations with MODPATH-OBS--documentation of the MODPATH observation process

USGS Publications Warehouse

Hanson, R.T.; Kauffman, L.K.; Hill, M.C.; Dickinson, J.E.; Mehl, S.W.

2013-01-01

The MODPATH-OBS computer program described in this report is designed to calculate simulated equivalents for observations related to advective groundwater transport that can be represented in a quantitative way by using simulated particle-tracking data. The simulated equivalents supported by MODPATH-OBS are (1) distance from a source location at a defined time, or proximity to an observed location; (2) time of travel from an initial location to defined locations, areas, or volumes of the simulated system; (3) concentrations used to simulate groundwater age; and (4) percentages of water derived from contributing source areas. Although particle tracking only simulates the advective component of conservative transport, effects of non-conservative processes such as retardation can be approximated through manipulation of the effective-porosity value used to calculate velocity based on the properties of selected conservative tracers. This program can also account for simple decay or production, but it cannot account for diffusion. Dispersion can be represented through direct simulation of subsurface heterogeneity and the use of many particles. MODPATH-OBS acts as a postprocessor to MODPATH, so that the sequence of model runs generally required is MODFLOW, MODPATH, and MODPATH-OBS. The version of MODFLOW and MODPATH that support the version of MODPATH-OBS presented in this report are MODFLOW-2005 or MODFLOW-LGR, and MODPATH-LGR. MODFLOW-LGR is derived from MODFLOW-2005, MODPATH 5, and MODPATH 6 and supports local grid refinement. MODPATH-LGR is derived from MODPATH 5. It supports the forward and backward tracking of particles through locally refined grids and provides the output needed for MODPATH_OBS. For a single grid and no observations, MODPATH-LGR results are equivalent to MODPATH 5. MODPATH-LGR and MODPATH-OBS simulations can use nearly all of the capabilities of MODFLOW-2005 and MODFLOW-LGR; for example, simulations may be steady-state, transient, or a combination

The magnetic, electrical transport and thermal transport properties of Fe-based antipervoskite compounds ZnCxFe3

NASA Astrophysics Data System (ADS)

Lin, S.; Wang, B. S.; Lin, J. C.; Huang, Y. N.; Hu, X. B.; Lu, W. J.; Zhao, B. C.; Tong, P.; Song, W. H.; Sun, Y. P.

2011-10-01

The effects of carbon concentration on the crystal structure, magnetic, and electrical/thermal transport properties of ZnCxFe3 (1.0 ≤ x ≤ 1.5) have been investigated systematically. Both the Curie temperature and the saturated magnetization decrease firstly and then reach saturation with increasing x. The investigations of heat capacity and resistivity indicate that ZnC1.2Fe3 displays a strongly correlated Fermi liquid behavior considering its Kadowaki-Woods ratio (˜0.64 a0). Around the ferromagnetic-paramagnetic phase transition (˜358 K), a reversible room-temperature magnetocaloric effect is observed. The relative cooling power (RCP) is ˜164 J/kg (˜385 J/kg) with the magnetic field change ΔH = 20 kOe (45 kOe). Considering the considerable large RCP, inexpensive and innoxious raw materials, ZnC1.2Fe3 is suggested to be a promising candidate for room-temperature magnetic refrigeration. Furthermore, the studies of thermal transport properties indicate that ZnC1.2Fe3 can also be a potential thermoelectric material with the dimensionless figure of merit (ZT = α2T/ρk) reaching its maximum of 0.0112 around 170 K.

Transport properties of β-FeSi2

NASA Astrophysics Data System (ADS)

Arushanov, Ernest; Lisunov, Konstantin G.

2015-07-01

The aim of this paper is to summarize considerable experimental efforts undertaken within the last decades in the investigations of transport properties of β-FeSi2. The β-FeSi2 compound is the most investigated among a family of semiconducting silicides. This material has received considerable attention as an attractive material for optoelectronic, photonics, photovoltaics and thermoelectric applications. Previous reviews of the transport properties of β-FeSi2 have been given by Lange and Ivanenko et al. about 15 years ago. The Hall effect, the conductivity, the mobility and the magnetoresistance data are presented. Main attention is paid to the discussion of the impurity (defect) band conductivity, the anomalous Hall effect, the scattering mechanisms of charge carriers, as well as to the hopping conduction and the magnetoresistance.

Optical, physical and chemical properties of transported African mineral dust aerosols in the Mediterranean region

NASA Astrophysics Data System (ADS)

Denjean, Cyrielle; Di Biagio, Claudia; Chevaillier, Servanne; Gaimoz, Cécile; Grand, Noel; Loisil, Rodrigue; Triquet, Sylvain; Zapf, Pascal; Roberts, Greg; Bourrianne, Thierry; Torres, Benjamin; Blarel, Luc; Sellegri, Karine; Freney, Evelyn; Schwarzenbock, Alfons; Ravetta, François; Laurent, Benoit; Mallet, Marc; Formenti, Paola

2014-05-01

The transport of mineral dust aerosols is a global phenomenon with strong climate implications. Depending on the travel distance over source regions, the atmospheric conditions and the residence time in the atmosphere, various transformation processes (size-selective sedimentation, mixing, condensation of gaseous species, and weathering) can modify the physical and chemical properties of mineral dust, which, in turn, can change the dust's optical properties. The model predictions of the radiative effect by mineral dust still suffer of the lack of certainty of these properties, and their temporal evolution with transport time. Within the frame of the ChArMex project (Chemistry-Aerosol Mediterranean experiment, http://charmex.lsce.ipsl.fr/), two intensive airborne campaigns (TRAQA, TRansport and Air QuAlity, 18 June - 11 July 2012, and ADRIMED, Aerosol Direct Radiative Impact in the regional climate in the MEDiterranean region, 06 June - 08 July 2013) have been performed over the Central and Western Mediterranean, one of the two major transport pathways of African mineral dust. In this study we have set up a systematic strategy to determine the optical, physical and optical properties of mineral dust to be compared to an equivalent dataset for dust close to source regions in Africa. This study is based on airborne observations onboard the SAFIRE ATR-42 aircraft, equipped with state of the art in situ instrumentation to measure the particle scattering and backscattering coefficients (nephelometer at 450, 550, and 700 nm), the absorption coefficient (PSAP at 467, 530, and 660 nm), the extinction coefficient (CAPS at 530 nm), the aerosol optical depth (PLASMA at 340 to 1640 nm), the size distribution in the extended range 40 nm - 30 µm by the combination of different particle counters (SMPS, USHAS, FSSP, GRIMM) and the chemical composition obtained by filter sampling. The chemistry and transport model CHIMERE-Dust have been used to classify the air masses according to

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

PubMed Central

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

2016-01-01

We investigated the trap-mediated electronic transport properties of pentacene/molybdenum disulphide (MoS2) 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 MoS2 and pentacene. The pentacene/MoS2 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. PMID:27829663

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

NASA Astrophysics Data System (ADS)

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

2016-11-01

We investigated the trap-mediated electronic transport properties of pentacene/molybdenum disulphide (MoS2) 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 MoS2 and pentacene. The pentacene/MoS2 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.

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

PubMed

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.

Study on the Electronic Transport Properties of Zigzag GaN Nanotubes

NASA Astrophysics Data System (ADS)

Li, Enling; Wang, Xiqiang; Hou, Liping; Zhao, Danna; Dai, Yuanbin; Wang, Xuewen

2011-02-01

The electronic transport properties of zigzag GaN nanotubes (n, 0) (4 <= n <= 9) have been calculated using the density functional theory and non-equilibrium Green's functions method. Firstly, the density functional theory (DFT) is used to optimize and calculate the electronic structure of GaNNTs (n, 0) (4<=n<=9). Secondly, DFT and non-equilibrium Green function (NEGF) method are also used to predict the electronic transport properties of GaNNTs two-probe system. The results showed: there is a corresponding relation between the electronic transport properties and the valley of state density of each GaNNT. In addition, the volt-ampere curve of GaNNT is approximately linear.

Transport properties of carbonated silicate melt at high pressure

PubMed Central

Ghosh, Dipta B.; Karki, Bijaya B.

2017-01-01

Carbon dioxide, generally considered as the second most abundant volatile component in silicate magmas, is expected to significantly influence various melt properties. In particular, our knowledge about its dynamical effects is lacking over most of Earth’s mantle pressure regime. Here, we report the first-principles molecular dynamics results on the transport properties of carbonated MgSiO3 liquid under conditions of mantle relevance. They show that dissolved CO2 systematically enhances the diffusion rates of all elements and lowers the melt viscosity on average by factors of 1.5 to 3 over the pressure range considered. It is remarkable that CO2 has very little or no influence on the electrical conductivity of the silicate melt under most conditions. Simulations also predict anomalous dynamical behavior, increasing diffusivity and conductivity and decreasing viscosity with compression in the low-pressure regime. This anomaly and the concomitant increase of pressure and temperature with depth together make these transport coefficients vary modestly over extended portions of the mantle regime. It is possible that the melt electrical conductivity under conditions corresponding to the 410- and 660-km seismic discontinuities is at a detectable level by electromagnetic sounding observation. In addition, the low melt viscosity values of 0.2 to 0.5 Pa⋅s at these depths and near the core-mantle boundary may imply high mobility of possible melts in these regions. PMID:29226244

pH-dependent electron-transport properties of carbon nanotubes.

PubMed

Back, Ju Hee; Shim, Moonsub

2006-11-30

Carbon nanotube electrochemical transistors integrated with microfluidic channels are utilized to examine the effects of aqueous electrolyte solutions on the electron-transport properties of single isolated carbon nanotubes. In particular, pH and concentration of supporting inert electrolytes are examined. A systematic threshold voltage shift with pH is observed while the transconductance and subthreshold swing remain independent of pH and concentration. Decreasing pH leads to a negative shift of the threshold voltage, indicating that protonation does not lead to hole doping. Changing the type of contact metal does not alter the observed pH response. The pH-dependent charging of SiO2 substrate is ruled out as the origin based on measurements with suspended nanotube transistors. Increasing the ionic strength leads to reduced pH response. Contributions from possible surface chargeable chemical groups are considered.

Transport Properties of Metallic Ruthenates: A DFT +DMFT Investigation

NASA Astrophysics Data System (ADS)

Deng, Xiaoyu; Haule, Kristjan; Kotliar, Gabriel

2016-06-01

We present a systematical theoretical study on the transport properties of an archetypal family of Hund's metals, Sr2RuO4 , Sr3 Ru2 O7 , SrRuO3 , and CaRuO3 , within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund's metals fall into the scenario of "resilient quasiparticles." We explain why the single layered compound Sr2 RuO4 has a relative weak correlation with respect to its siblings, which corroborates its good metallicity.

Rectification of nanopores in aprotic solvents - transport properties of nanopores with surface dipoles

NASA Astrophysics Data System (ADS)

Plett, Timothy; Shi, Wenqing; Zeng, Yuhan; Mann, William; Vlassiouk, Ivan; Baker, Lane A.; Siwy, Zuzanna S.

2015-11-01

Nanopores have become a model system to understand transport properties at the nanoscale. We report experiments and modeling of ionic current in aprotic solvents with different dipole moments through conically shaped nanopores in a polycarbonate film and through glass nanopipettes. We focus on solutions of the salt LiClO4, which is of great importance in modeling lithium based batteries. Results presented suggest ion current rectification observed results from two effects: (i) adsorption of Li+ ions to the pore walls, and (ii) a finite dipole moment rendered by adsorbed solvent molecules. Properties of surfaces in various solvents were probed by means of scanning ion conductance microscopy, which confirmed existence of an effectively positive surface potential in aprotic solvents with high dipole moments.Nanopores have become a model system to understand transport properties at the nanoscale. We report experiments and modeling of ionic current in aprotic solvents with different dipole moments through conically shaped nanopores in a polycarbonate film and through glass nanopipettes. We focus on solutions of the salt LiClO4, which is of great importance in modeling lithium based batteries. Results presented suggest ion current rectification observed results from two effects: (i) adsorption of Li+ ions to the pore walls, and (ii) a finite dipole moment rendered by adsorbed solvent molecules. Properties of surfaces in various solvents were probed by means of scanning ion conductance microscopy, which confirmed existence of an effectively positive surface potential in aprotic solvents with high dipole moments. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06340j

Dynamic Evolution of Cement Composition and Transport Properties under Conditions Relevant to Geological Carbon Sequestration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brunet, Jean-Patrick Leopold; Li, Li; Karpyn, Zuleima T

2013-08-01

Assessing the possibility of CO{sub 2} leakage is one of the major challenges for geological carbon sequestration. Injected CO{sub 2} can react with wellbore cement, which can potentially change cement composition and transport properties. In this work, we develop a reactive transport model based on experimental observations to understand and predict the property evolution of cement in direct contact with CO{sub 2}-saturated brine under diffusion-controlled conditions. The model reproduced the observed zones of portlandite depletion and calcite formation. Cement alteration is initially fast and slows down at later times. This work also quantified the role of initial cement properties, inmore » particular the ratio of the initial portlandite content to porosity (defined here as φ), in determining the evolution of cement properties. Portlandite-rich cement with large φ values results in a localized “sharp” reactive diffusive front characterized by calcite precipitation, leading to significant porosity reduction, which eventually clogs the pore space and prevents further acid penetration. Severe degradation occurs at the cement–brine interface with large φ values. This alteration increases effective permeability by orders of magnitude for fluids that preferentially flow through the degraded zone. The significant porosity decrease in the calcite zone also leads to orders of magnitude decrease in effective permeability, where fluids flow through the low-permeability calcite zone. The developed reactive transport model provides a valuable tool to link cement–CO{sub 2} reactions with the evolution of porosity and permeability. It can be used to quantify and predict long-term wellbore cement behavior and can facilitate the risk assessment associated with geological CO{sub 2} sequestration.« less

Linking aquifer spatial properties and non-Fickian transport in mobile-immobile like alluvial settings

USGS Publications Warehouse

Zhang, Yong; Green, Christopher T.; Baeumer, Boris

2014-01-01

Time-nonlocal transport models can describe non-Fickian diffusion observed in geological media, but the physical meaning of parameters can be ambiguous, and most applications are limited to curve-fitting. This study explores methods for predicting the parameters of a temporally tempered Lévy motion (TTLM) model for transient sub-diffusion in mobile–immobile like alluvial settings represented by high-resolution hydrofacies models. The TTLM model is a concise multi-rate mass transfer (MRMT) model that describes a linear mass transfer process where the transfer kinetics and late-time transport behavior are controlled by properties of the host medium, especially the immobile domain. The intrinsic connection between the MRMT and TTLM models helps to estimate the main time-nonlocal parameters in the TTLM model (which are the time scale index, the capacity coefficient, and the truncation parameter) either semi-analytically or empirically from the measurable aquifer properties. Further applications show that the TTLM model captures the observed solute snapshots, the breakthrough curves, and the spatial moments of plumes up to the fourth order. Most importantly, the a priori estimation of the time-nonlocal parameters outside of any breakthrough fitting procedure provides a reliable “blind” prediction of the late-time dynamics of subdiffusion observed in a spectrum of alluvial settings. Predictability of the time-nonlocal parameters may be due to the fact that the late-time subdiffusion is not affected by the exact location of each immobile zone, but rather is controlled by the time spent in immobile blocks surrounding the pathway of solute particles. Results also show that the effective dispersion coefficient has to be fitted due to the scale effect of transport, and the mean velocity can differ from local measurements or volume averages. The link between medium heterogeneity and time-nonlocal parameters will help to improve model predictability for non

Electronic and magnetic properties of manganite thin films with different compositions and its correlation with transport properties: An X-ray resonant magnetic scattering study

DOE PAGES

Singh, Surendra; Freeland, J. W.; Fitzsimmons, M. R.; ...

2014-12-08

Here, we present x-ray resonant magnetic dichroism and x-ray resonant magnetic scattering measurements of the temperature dependence of magnetism in Pr-doped La-Ca-Mn-O films grown on (110) NdGaO3 substrates. We observed thermal hysteresis of the ferromagnetism in one film that also showed large thermal hysteresis of ~18K in transport measurements. While in a second film of a different nominal chemistry, which showed very small thermal hysteresis ~3K in transport measurements, no thermal hysteresis of the ferromagnetism was observed. As a result, these macroscopic properties are correlated with evolution of surface magnetization across metal insulator transition for these films as observed bymore » soft x-ray resonant magnetic scattering measurements.« less

Learning object correspondences with the observed transport shape measure.

PubMed

Pitiot, Alain; Delingette, Hervé; Toga, Arthur W; Thompson, Paul M

2003-07-01

We propose a learning method which introduces explicit knowledge to the object correspondence problem. Our approach uses an a priori learning set to compute a dense correspondence field between two objects, where the characteristics of the field bear close resemblance to those in the learning set. We introduce a new local shape measure we call the "observed transport measure", whose properties make it particularly amenable to the matching problem. From the values of our measure obtained at every point of the objects to be matched, we compute a distance matrix which embeds the correspondence problem in a highly expressive and redundant construct and facilitates its manipulation. We present two learning strategies that rely on the distance matrix and discuss their applications to the matching of a variety of 1-D, 2-D and 3-D objects, including the corpus callosum and ventricular surfaces.

Spatiotemporal observation of transport in fractured rocks

NASA Astrophysics Data System (ADS)

Kulenkampff, Johannes; Enzmann, Frieder; Gründig, Marion; Mittmann, Hellmuth; Wolf, Martin

2010-05-01

A number of injection experiments in different rocks types have been conducted with positron emission-process-tomography using a high-resolution "small-animal" PET-scanner (ClearPET by Raytest, Straubenhardt) for the monitoring of transport processes. The fluids are labelled with positron-emitting isotopes like e.g. 18F-, 124I- or dissolvable complexes like K3[58Co(CN)6], without affecting their physico-chemical properties. The annihilation radiation from individual decaying tracer atoms is detected with high sensitivity, and the tomographic reconstruction of the recorded events yields quantitative 3D-images of the tracer distribution. Sequential tomograms during and after tracer injection are used for the spatiotemporal observation of the fluid transport. Raw data is corrected with respect to background radiation (randoms) and Compton scattering, which turns out to be much more significant in rocks than in common biomedical applications. Although in principle these effects are exactly known, we developed and apply simplified and fast correction methods. Deficiencies of these correction algorithms generate some artefacts, that cause the lower limit of the tracer concentration in the order of 1 kBq/?l or about 107 atoms/?l, still outranging other methods (e.g. NMR or resistivity tomography) by many orders of magnitude. New 3D-visualizations of the process-tomograms in fractured rocks show strongly localized and complex flow paths and in parts unexpected deviations from the fracture structures as deduced from ?CT-images. Such results demonstrate the potential of large discrepancies between ?CT-derived parameters like pore volume and specific surface area and the hydraulic effective parameters as derived by means of the PET-process-tomography. We conclude that such discrepancies and the complexity of the transport process in natural heterogeneous porous media illustrates the limits of parameter determination methods from model simulations based on structural pore

Experimental observation of edge transport in graphene nanostructures

NASA Astrophysics Data System (ADS)

Kinikar, Amogh; Sai, T. Phanindra; Bhattacharyya, Semonti; Agarwala, Adhip; Biswas, Tathagata; Sarker, Sanjoy K.; Krishnamurthy, H. R.; Jain, Manish; Shenoy, Vijay B.; Ghosh, Arindam

The zizzag edges of graphene, whether single or few layers, host zero energy gapless states and are perfect 1D ballistic conductors. Conclusive observations of electrical conduction through edge states has been elusive. We report the observation of edge bound transport in atomic-scale constrictions of single and multilayer suspended graphene created stochastically by nanomechanical exfoliation of graphite. We observe that the conductance is quantized in near multiples of e2/h. Non-equilibrium transport shows a split zero bias anomaly and, the magneto-conductance is hysteretic; indicating that the electron transport is through spin polarized edge states in the presence of electron-electron interaction. Atomic force microscope scans on the graphite surface post exfoliation reveal that the final constriction is usually a single layer graphene with a constricting angle of 30o. Tearing along crystallographic angles suggests the tears occur along zigzag and armchair configurations with high fidelity of the edge morphology. We acknowledge the financial support from the DST, Government of India. SS acknowledges support from the NSF (DMR-1508680).

The Observed Properties of Liquid Helium at the Saturated Vapor Pressure

NASA Astrophysics Data System (ADS)

Donnelly, Russell J.; Barenghi, Carlo F.

1998-11-01

The equilibrium and transport properties of liquid 4He are deduced from experimental observations at the saturated vapor pressure. In each case, the bibliography lists all known measurements. Quantities reported here include density, thermal expansion coefficient, dielectric constant, superfluid and normal fluid densities, first, second, third, and fourth sound velocities, specific heat, enthalpy, entropy, surface tension, ion mobilities, mutual friction, viscosity and kinematic viscosity, dispersion curve, structure factor, thermal conductivity, latent heat, saturated vapor pressure, thermal diffusivity and Prandtl number of helium I, and displacement length and vortex core parameter in helium II.

Transport Properties of Metallic Ruthenates: A DFT + DMFT Investigation

DOE PAGES

Deng, Xiaoyu; Haule, Kristjan; Kotliar, Gabriel

2016-06-20

We present a systematical theoretical study on the transport properties of an archetypal family of Hund’s metals, Sr 2RuO 4, Sr 3Ru2O 7, SrRuO 3, and CaRuO 3, within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund’s metals fall into the scenario of “resilient quasiparticles.” We explain why the single layered compound Sr 2RuO 4 has amore » relative weak correlation with respect to its siblings, which corroborates its good metallicity.« less

The electronic transport properties of defected bilayer sliding armchair graphene nanoribbons

NASA Astrophysics Data System (ADS)

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.

Transport properties of epitaxial lift off films

NASA Technical Reports Server (NTRS)

Mena, R. A.; Schacham, S. E.; Young, P. G.; Haugland, E. J.; Alterovitz, S. A.

1993-01-01

Transport properties of epitaxially lifted-off (ELO) films were characterized using conductivity, Hall, and Shubnikov-de Haas measurements. A 10-15 percent increase in the 2D electron gas concentration was observed in these films as compared with adjacent conventional samples. We believe this result to be caused by a backgating effect produced by a charge build up at the interface of the ELO film and the quartz substrate. This increase results in a substantial decrease in the quantum lifetime in the ELO samples, by 17-30 percent, but without a degradation in carrier mobility. Under persistent photoconductivity, only one subband was populated in the conventional structure, while in the ELO films the population of the second subband was clearly visible. However, the increase of the second subband concentration with increasing excitation is substantially smaller than anticipated due to screening of the backgating effect.

Elastic and transport properties of topological semimetal ZrTe

NASA Astrophysics Data System (ADS)

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

Transmission and transport properties in Cantor graphene structures: The case of magnetoelectric modulation

NASA Astrophysics Data System (ADS)

Rodríguez-González, R.; Rodríguez-Vargas, I.

2017-04-01

We discuss theoretically the transmission and transport properties of Dirac electrons in a Cantor graphene system under magnetoelectric effects. The transfer matrix method and the Landauer-Büttiker formalism have been implemented to compute the transmittance and the linear-regime conductance, respectively. The fractal order of Cantor type together with the magnetic and electric field are used to distribute and generate the magnetoelectric barriers. This system give us the possibility of compare the mentioned physical properties for magnetic and magnetoelectric barriers. We found a bifurcation process in the transmission spectra which is observable when the generation increases. Also, an asymmetrical and symmetrical behavior is presented for magnetic and magnetoelectric barriers, respectively. In general, an oscillatory behavior is manifested in the conductance. Moreover, we can describe the peaks (form and location) that give rise to the oscillations through the contour plots of the transmittance in the (E ,ky) space. Likewise, by increasing the generation of the system the conductance is enhanced, the oscillations reduced and less pronounced. In short, the magnetoelectric modulation along with the fractal order can be used to control the transmission and transport properties in graphene-based structures.

Quantum Size Effects in Transport Properties of Bi2Te3 Topological Insulator Thin Films

NASA Astrophysics Data System (ADS)

Rogacheva, E. I.; Budnik, A. V.; Nashchekina, O. N.; Meriuts, A. V.; Dresselhaus, M. S.

2017-07-01

Bi2Te3 compound and Bi2Te3-based solid solutions have attracted much attention as promising thermoelectric materials for refrigerating devices. The possibility of enhancing the thermoelectric efficiency in low-dimensional structures has stimulated studies of Bi2Te3 thin films. Now, interest in studying the transport properties of Bi2Te3 has grown sharply due to the observation of special properties characteristic of three-dimensional (3D) topological insulators in Bi2Te3. One of the possible manifestations of quantum size effects in two-dimensional structures is an oscillatory behavior of the dependences of transport properties on film thickness, d. The goal of this work is to summarize our earlier experimental results on the d-dependences of transport properties of Bi2Te3 thin films obtained by thermal evaporation in a vacuum on glass substrates, and to present our new results of theoretical calculations of the oscillations periods within the framework of the model of an infinitely deep potential well, which takes into account the dependence of the Fermi energy on d and the contribution of all energy subbands below the Fermi level to the conductivity. On the basis of the data obtained, some general regularities and specificity of the quantum size effects manifestation in 3D topological insulators are established.

Transport properties of ultrathin black phosphorus on hexagonal boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doganov, Rostislav A.; Özyilmaz, Barbaros; Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore

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 explainmore » 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.« less

Transport properties of kA class QMG current limiting elements

NASA Astrophysics Data System (ADS)

Morita, M.; Miura, O.; Ito, D.

2001-09-01

In order to estimate the feasibility of a resistive type fault current limiter made of QMG, transport properties of QMG current limiting elements which can transport about 1 kA continuously in a superconducting state were studied. QMG is a rare earth based bulk superconductor that has high Jc properties and relatively high electrical resistivity in a normal state. Because of these properties, QMG is a promising bulk material for superconducting fault current limiter applications. A bar-shaped sample in which the cross-section and the effective length were 2.2×0.8 mm2 and 30 mm, respectively, was prepared. Bypass resistance of 7 mΩ was connected in parallel with the sample. A field assist mechanism that can apply a magnetic field of about 0.9 T to the sample was installed. A half cycle of AC current up to about 3 kA was applied to the samples at 77 K. In the case when applied current ( I) was less than 1000 A in a self-field, flux flow voltage was less than 0.5 mV. The n-value was about 6. In the applied field of 0.9 T, a rapid increase of voltage (quench) was observed around I=1820 A. The quench phenomena reproduced without degradation in the case of I>1820 A. From these results, it was found that QMG fault current elements can endure the thermal shock of the quench by the optimization of bypass resistance and the applied field.

Effect of rare-earth doping on the thermoelectric and electrical transport properties of the transition metal pentatelluride hafnium pentatelluride

NASA Astrophysics Data System (ADS)

Lowhorn, Nathan Dane

The transition metal pentatellurides HfTe5 and ZrTe5 have been observed to possess interesting electrical transport properties. High thermopower and low resistivity values result in high thermoelectric power factors. In addition, they possess anomalous transport behavior. The temperature dependence of the resistivity is semimetallic except for a large resistive peak as a function of temperature at around 75 K for HfTe5 and 145 K for ZrTe5. At a temperature corresponding to this peak, the thermopower crosses zero as it moves from large positive values to large negative values. This behavior has been found to be extremely sensitive to changes in the energetics of the system through influences such as magnetic field, stress, pressure, microwave radiation, and substitutional doping. This behavior has yet to be fully explained. Previous doping studies have shown profound and varied effects on the anomalous transport behavior. In this study we investigate the effect on the electrical resistivity, thermopower, and magnetoresistance of doping HfTe5 with rare-earth elements. We have grown single crystals of nominal Hf0.75RE 0.25Te5 where RE = Ce, Pr, Nd, Sm, Gd, Tb, Dy, and Ho. Electrical resistivity and thermopower data from about 10 K to room temperature are presented and discussed in terms of the thermoelectric properties. Doping with rare-earth elements of increasing atomic number leads to a systematic suppression of the anomalous transport behavior. Rare-earth doping also leads to an enhancement of the thermoelectric power factor over that of previously studied pentatellurides and the commonly used thermoelectric material Bi2Te3. For nominal Hf0.75Nd0.25Te5 and Hf0.75 Sm0.25Te5, values more than a factor of 2 larger than that Bi2Te3 are observed. In addition, suppression of the anomalous transport behavior leads to a suppression of the large magnetoresistive effect observed in the parent compounds. Rare-earth doping of HfTe5 has a profound impact on the anomalous

Equations of state and transport properties of mixtures in the warm dense regime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hou, Yong; Dai, Jiayu; Kang, Dongdong

2015-02-15

We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide regionmore » of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.« less

Computer program for calculating thermodynamic and transport properties of fluids

NASA Technical Reports Server (NTRS)

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.

Observation of topological valley transport of sound in sonic crystals

NASA Astrophysics Data System (ADS)

Lu, Jiuyang; Qiu, Chunyin; Ye, Liping; Fan, Xiying; Ke, Manzhu; Zhang, Fan; Liu, Zhengyou

2017-04-01

The concept of valley pseudospin, labelling quantum states of energy extrema in momentum space, is attracting attention because of its potential as a new type of information carrier. Compared with the non-topological bulk valley transport, realized soon after predictions, topological valley transport in domain walls is extremely challenging owing to the inter-valley scattering inevitably induced by atomic-scale imperfections--but an electronic signature was recently observed in bilayer graphene. Here, we report the experimental observation of topological valley transport of sound in sonic crystals. The macroscopic nature of sonic crystals permits a flexible and accurate design of domain walls. In addition to a direct visualization of the valley-selective edge modes through spatial scanning of the sound field, reflection immunity is observed in sharply curved interfaces. The topologically protected interface transport of sound, strikingly different from that in traditional sound waveguides, may serve as the basis for designing devices with unconventional functions.

Safety Hazards During Intrahospital Transport: A Prospective Observational Study.

PubMed

Bergman, Lina M; Pettersson, Monica E; Chaboyer, Wendy P; Carlström, Eric D; Ringdal, Mona L

2017-10-01

To identify, classify, and describe safety hazards during the process of intrahospital transport of critically ill patients. A prospective observational study. Data from participant observations of the intrahospital transport process were collected over a period of 3 months. The study was undertaken at two ICUs in one university hospital. Critically ill patients transported within the hospital by critical care nurses, unlicensed nurses, and physicians. None. Content analysis was performed using deductive and inductive approaches. We detected a total of 365 safety hazards (median, 7; interquartile range, 4-10) during 51 intrahospital transports of critically ill patients, 80% of whom were mechanically ventilated. The majority of detected safety hazards were assessed as increasing the risk of harm, compromising patient safety (n = 204). Using the System Engineering Initiative for Patient Safety, we identified safety hazards related to the work system, as follows: team (n = 61), tasks (n = 83), tools and technologies (n = 124), environment (n = 48), and organization (n = 49). Inductive analysis provided an in-depth description of those safety hazards, contributing factors, and process-related outcomes. Findings suggest that intrahospital transport is a hazardous process for critically ill patients. We have identified several factors that may contribute to transport-related adverse events, which will provide the opportunity for the redesign of systems to enhance patient safety.

Radial transport of high-energy oxygen ions into the deep inner magnetosphere observed by Van Allen Probes

NASA Astrophysics Data System (ADS)

Mitani, K.; Seki, K.; Keika, K.; Gkioulidou, M.; Lanzerotti, L. J.; Mitchell, D. G.; Kletzing, C.

2017-12-01

It is known that proton is main contributor of the ring current and oxygen ions can make significant contribution during major magnetic storms. Ions are supplied to the ring current by radial transport from the plasma sheet. Convective transport of lower-energy protons and diffusive transport of higher-energy protons were reported to contribute to the storm-time and quiet-time ring current respectively [e.g., Gkioulidou et al., 2016]. However, supply mechanisms of the oxygen ions are not clear. To characterize the supply of oxygen ions to the ring current during magnetic storms, we studied the properties of energetic proton and oxygen ion phase space densities (PSDs) for specific magnetic moment (μ) during the April 23-25, 2013, geomagnetic storm observed by the Van Allen Probes mission. We here report on radial transport of high-energy (μ ≥ 0.5 keV/nT) oxygen ions into the deep inner magnetosphere during the late main phase of the magnetic storm. Since protons show little change during this period, this oxygen radial transport is inferred to cause the development of the late main phase. Enhancement of poloidal magnetic fluctuations is simultaneously observed. We estimated azimuthal mode number ≤5 by using cross wavelet analysis with ground-based observation of IMAGE ground magnetometers. The fluctuations can resonate with drift and bounce motions of the oxygen ions. The results suggest that combination of the drift and drift-bounce resonances is responsible for the radial transport of high-energy oxygen ions into the deep inner magnetosphere. We also report on the radial transport of the high-energy oxygen ions into the deep inner magnetosphere during other magnetic storms.

MISR Decadal Observations of Mineral Dust: Property Characterization and Climate Applications

NASA Technical Reports Server (NTRS)

Kalashnikova, Olga V.; Garay, Michael J.; Sokolik, Irina; Kahn, Ralph A.; Lyapustin, A.; Diner, David J.; Lee, Jae N.; Torres, Omar; Leptoukh, Gregory G.; Sabbah, Ismail

2012-01-01

The Multi-angle Imaging SpectroRadiometer (MISR) provides a unique, independent source of data for studying dust emission and transport. MISR's multiple view angles allow the retrieval of aerosol properties over bright surfaces, and such retrievals have been shown to be sensitive to the non-sphericity of dust aerosols over both land and water. MISR stereographic views of thick aerosol plumes allow height and instantaneous wind derivations at spatial resolutions of better than 1.1 km horizontally and 200m vertically. We will discuss the radiometric and stereo-retrieval capabilities of MISR specifically for dust, and demonstrate the use of MISR data in conjunction with other available satellite observations for dust property characterization and climate studies.First, we will discuss MISR non-spherical (dust) fraction product over the global oceans. We will show that over the Atlantic Ocean, changes in the MISR-derived non-spherical AOD fraction illustrate the evolution of dust during transport. Next, we will present a MISR satellite perspective on dust climatology in major dust source regions with a particular emphasis on the West Africa and Middle East and discuss MISR's unique strengths as well as current product biases. Finally, we will discuss MISR dust plume product and climatological applications.

Nanoporous Cyanate Ester Resins: Structure-Gas Transport Property Relationships

NASA Astrophysics Data System (ADS)

Gusakova, Kristina; Fainleib, Alexander; Espuche, Eliane; Grigoryeva, Olga; Starostenko, Olga; Gouanve, Fabrice; Boiteux, Gisèle; Saiter, Jean-Marc; Grande, Daniel

2017-04-01

This contribution addresses the relationships between the structure and gas transport properties of nanoporous thermostable cyanate ester resins (CERs) derived from polycyclotrimerization of 1,1'-bis(4-cyanatophenyl)ethane in the presence of 30 or 50 wt% of inert high-boiling temperature porogens (i.e., dimethyl- or dibutyl phthalates), followed by their quantitative removal. The nanopores in the films obtained were generated via a chemically induced phase separation route with further porogen extraction from the densely crosslinked CERs. To ensure a total desorption of the porogen moieties from the networks, an additional short-term thermal annealing at 250 °C was performed. The structure and morphology of such nanoporous CER-based films were investigated by FTIR and SEM techniques, respectively. Further, the gas transport properties of CER films were analyzed after the different processing steps, and relationships between the material structure and the main gas transport parameters were established.

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

NASA Astrophysics Data System (ADS)

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

Molecular transport properties through carbon nanotube membrane

NASA Astrophysics Data System (ADS)

Majumder, Mainak

Molecular transport through hollow cores of crystalline carbon nanotubes (CNTs) are of considerable interest from the fundamental and application point of view. This dissertation focuses on understanding molecular transport through a membrane platform consisting of open ended CNTs with ˜ 7 nm core diameter and ˜ 1010 CNTs/cm2 encapsulated in an inert polymer matrix. While ionic diffusion through the membrane is close to bulk diffusion expectations, gases and liquids were respectively observed to be transported ˜ 10 times faster than Knudsen diffusion and ˜ 10000--100000 times faster than hydrodynamic flow predictions. This phenomenon has been attributed to the non-interactive and frictionless graphitic interface. Functionalization of the CNT tips was observed to change selectivity and flux through the CNT membranes with analogy to 'gate-keeper' functionality in biological membranes. An electro-chemical diazonium grafting chemistry was utilized for enhancing the functional density on the CNT membranes. A strategy to confine the reactions at the CNT tips by a fast flowing liquid column was also designed. Characterization using electrochemical impedance spectroscopy and dye assay indicated ˜ 5--6 times increase in functional density. Electrochemical impedance spectroscopy experiments on CNT membrane/electrode functionalized with charged macro-molecules showed voltage-controlled conformational change. Similar chemistry has been applied for realizing 'voltage-gated' transport channels with potential application in trans-dermal drug delivery. Electrically-facilitated transport (a geometry in which an electric field gradient acts across the membrane) through the CNT and functionalized CNT membranes was observed to be electrosmotically controlled. Finally, a simulation framework based on continuum electrostatics and finite elements has been developed to further the understanding of transport through the CNT membranes. KEYWORDS: carbon nanotube membrane, nano

Transport properties and Stokes-Einstein relation in Al-rich liquid alloys

NASA Astrophysics Data System (ADS)

Jakse, N.; Pasturel, A.

2016-06-01

We use ab initio molecular dynamics simulations to study the transport properties and the validity of the Stokes-Einstein relation in Al-rich liquid alloys with Ni, Cu, and Zn as alloying elements. First, we show that the composition and temperature dependence of their transport properties present different behaviors, which can be related to their local structural ordering. Then, we evidence that the competition between the local icosahedral ordering and the local chemical ordering may cause the breakdown of the Stokes-Einstein relation even in the liquid phase. We demonstrate that this breakdown can be captured by entropy-scaling relationships developed by Rosenfeld and using the two-body excess entropy. Our findings provide a unique framework to study the relation between structure, thermodynamics, and dynamics in metallic melts and pave the way towards the explanation of various complex transport properties in metallic melts.

Properties of Coronal Shocks at the Origin of SEP events Observed by Only One Single Spacecraft

NASA Astrophysics Data System (ADS)

Lario, D.; Kwon, R.

2017-12-01

The simultaneous observation of solar energetic particle (SEP) events by multiple spacecraft distributed in the interplanetary medium depends not only on the spatial separation among the different spacecraft, but also on the properties of the particle sources and the characteristics of the SEP transport in interplanetary space. Among the SEP events observed by STEREO-A, STEREO-B and/or near-Earth spacecraft during solar cycle 24, we select SEP events observed by a single spacecraft (specifically, the SEP events observed only by near-Earth spacecraft on 2012 April 5, 2011 September 4, and 2013 August 17). We analyze whether the properties of the coronal shock associated with the origin of the events (as seen in extreme-ultraviolet and white-light coronal images) differ from those associated with SEP events observed by two or three spacecraft. For the selected events we find that the associated CMEs are, in general, narrower than those associated with SEP events observed by two or three spacecraft. The confined extension of the parent coronal shock and the absence of magnetic connection between distant spacecraft and the regions of the expanding coronal shock able to efficiently accelerate SEPs seem to be the conditions leading to intense SEP events observed only over narrow regions of interplanetary space by spacecraft magnetically connected to regions close to the parent eruption site. Weak and gradual intensity increases observed in extended regions of space might involve transport processes and/or later connections established with interplanetary shocks. Systematic analyses of a larger number of events are required before drawing firm conclusions.

Spin Dependent Transport Properties of Metallic and Semiconducting Nanostructures

NASA Astrophysics Data System (ADS)

Sapkota, Keshab R.

Present computing and communication devices rely on two different classes of technologies; information processing devices are based on electrical charge transport in semiconducting materials while information storage devices are based on orientation of electron spins in magnetic materials. A realization of a hybrid-type device that is based on charge as well as spin properties of electrons would perform both of these actions thereby enhancing computation power to many folds and reducing power consumptions. This dissertation focuses on the fabrication of such spin-devices based on metallic and semiconducting nanostructures which can utilize spin as well as charge properties of electrons. A simplified design of the spin-device consists of a spin injector, a semiconducting or metallic channel, and a spin detector. The channel is the carrier of the spin signal from the injector to the detector and therefore plays a crucial role in the manipulation of spin properties in the device. In this work, nanostructures like nanowires and nanostripes are used to function the channel in the spin-device. Methods like electrospinning, hydrothermal, and wet chemical were used to synthesize nanowires while physical vapor deposition followed by heat treatment in controlled environment was used to synthesis nanostripes. Spin-devices fabrication of the synthesized nanostructures were carried out by electron beam lithography process. The details of synthesis of nanostructures, device fabrication procedures and measurement techniques will be discussed in the thesis. We have successfully fabricated the spin-devices of tellurium nanowire, indium nanostripe, and indium oxide nanostripe and studied their spin transport properties for the first time. These spin-devices show large spin relaxation length compared to normal metals like copper and offer potentials for the future technologies. Further, Heusler alloys nanowires like nanowires of Co 2FeAl were synthesized and studied for electrical

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

NASA Astrophysics Data System (ADS)

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.

Dust Transport, Deposition and Radiative Effects Observed from MODIS

NASA Technical Reports Server (NTRS)

Kaufman, Y. J.; Koren, I.; Remer, L. A.; Tanre, D.; Ginoux, P.; Fan, S.

2003-01-01

Carlson (1977) used satellite (AVHRR) observation of dust episodes 3 estimate that 90 tg of dust are emitted from Africa (0-30 N) to the Atlantic Ocean between June and August. MODIS systematic measurements of aerosol optical thickness (AOT) and the fraction of the AOT (f) due to the fine mode (see Remer et al abstract), are used to derive the column concentration, flux and deposition of African dust over the Atlantic Ocean. The main data set is for 2001 but the results are consistent with MODIS measurements from 2002. The analysis first determines the properties of maritime baseline aerosol (AOT=0.06, f=0.5); followed by linear scaling of the dust AOT and the anthropogenic AOT, based on MODIS measured values of the fraction "f" being 0.9 for anthropogenic aerosol and 0.5 for dust. NCEP winds are used in the analysis and are evaluated against observed dust movements between the Terra and Aqua passes (see Koren et al. abstract). Monthly values of dust transport and deposition are calculated. Preliminary results show that 280 tg of dust are emitted annually from Africa to the Atlantic Ocean between 20s and 30N, with 40 tg returning to Africa and Europe between 30N and 50N. 85 tg reach the Americas, with 130-150 tg are deposited in the Atlantic Ocean. The results are compared with dust transport models that indicate 110-230 tg of dust being deposited in the Ocean. It is interesting to note that the early estimates of Carlson (1977) and Carlson & Prosper0 (1972) are very close to our estimate from MODIS of 100 tg for the same latitude range and monthly period.

Transport properties and Stokes-Einstein relation in Al-rich liquid alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jakse, N.; Pasturel, A.

We use ab initio molecular dynamics simulations to study the transport properties and the validity of the Stokes-Einstein relation in Al-rich liquid alloys with Ni, Cu, and Zn as alloying elements. First, we show that the composition and temperature dependence of their transport properties present different behaviors, which can be related to their local structural ordering. Then, we evidence that the competition between the local icosahedral ordering and the local chemical ordering may cause the breakdown of the Stokes–Einstein relation even in the liquid phase. We demonstrate that this breakdown can be captured by entropy-scaling relationships developed by Rosenfeld andmore » using the two-body excess entropy. Our findings provide a unique framework to study the relation between structure, thermodynamics, and dynamics in metallic melts and pave the way towards the explanation of various complex transport properties in metallic melts.« less

Accurate transport properties for H–CO and H–CO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dagdigian, Paul J., E-mail: pjdagdigian@jhu.edu

2015-08-07

Transport properties for collisions of hydrogen atoms with CO and CO{sub 2} have been computed by means of quantum scattering calculations. The carbon oxides are important species in hydrocarbon combustion. The following potential energy surfaces (PES’s) for the interaction of the molecule fixed in its equilibrium geometry were employed: for H–CO, the PES was taken from the work of Song et al. [J. Phys. Chem. A 117, 7571 (2013)], while the PES for H–CO{sub 2} was computed in this study by a restricted coupled cluster method that included single, double, and (perturbatively) triple excitations. The computed transport properties were foundmore » to be significantly different from those computed by the conventional approach that employs isotropic Lennard-Jones (12-6) potentials. The effect of using the presently computed accurate transport properties in 1-dimensional combustion simulations of methane-air flames was investigated.« less

RELATIONSHIP BETWEEN CELL SURFACE PROPERTIES AND TRANSPORT OF BACTERIA THROUGH SOIL

EPA Science Inventory

A study was conducted to relate the properties of Enterobacter, Pseudomonas, Bacillus, Achromobacter, Flavobacterium, and Arthrobacter strains to their transport with water moving through soil. the bacteria differed markedly in their extent of transport; their hydrophobicity, as...

Thermoelectric transport properties of Ti doped/adsorbed monolayer blue phosphorene.

PubMed

Zhu, Lin; Li, Bowen; Yao, Kailun

2018-08-10

Thermoelectric transport properties of Ti doped or adsorbed monolayer blue phosphorene are investigated by density functional theory combined with the nonequilibrium Green's function formalism. The thermal giant magnetoresistance and a nearly 100% spin polarization which solely relies on the temperature gradient of electrodes without bias or gate voltage are observed. Moreover, the spin Seebeck effect is also found. Furthermore, taking into account the electronic and phonon dispersion, the thermoelectric merit for Ti doping in the monolayer blue phosphorene at room temperature is also studied, the maximum value of thermoelectric merit can reach 1.01 near the Fermi level. The results indicate that Ti doped or adsorbed monolayer blue phosphorene has potential application in both spintronics and spin caloritronics.

Transport properties of interacting magnetic islands in tokamak plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gianakon, T.A.; Callen, J.D.; Hegna, C.C.

1993-10-01

This paper explores the equilibrium and transient transport properties of a mixed magnetic topology model for tokamak equilibria. The magnetic topology is composed of a discrete set of mostly non-overlapping magnetic islands centered on the low-order rational surfaces. Transport across the island regions is fast due to parallel transport along the stochastic magnetic field lines about the separatrix of each island. Transport between island regions is assumed to be slow due to a low residual cross-field transport. In equilibrium, such a model leads to: a nonlinear dependence of the heat flux on the pressure gradient; a power balance diffusion coefficientmore » which increases from core to edge; and profile resiliency. Transiently, such a model also exhibits a heat pulse diffusion coefficient larger than the power balance diffusion coefficient.« less

Effect of different transport observations on inverse modeling results: case study of a long-term groundwater tracer test monitored at high resolution

NASA Astrophysics Data System (ADS)

Rasa, Ehsan; Foglia, Laura; Mackay, Douglas M.; Scow, Kate M.

2013-11-01

Conservative tracer experiments can provide information useful for characterizing various subsurface transport properties. This study examines the effectiveness of three different types of transport observations for sensitivity analysis and parameter estimation of a three-dimensional site-specific groundwater flow and transport model: conservative tracer breakthrough curves (BTCs), first temporal moments of BTCs ( m 1), and tracer cumulative mass discharge ( M d) through control planes combined with hydraulic head observations ( h). High-resolution data obtained from a 410-day controlled field experiment at Vandenberg Air Force Base, California (USA), have been used. In this experiment, bromide was injected to create two adjacent plumes monitored at six different transects (perpendicular to groundwater flow) with a total of 162 monitoring wells. A total of 133 different observations of transient hydraulic head, 1,158 of BTC concentration, 23 of first moment, and 36 of mass discharge were used for sensitivity analysis and parameter estimation of nine flow and transport parameters. The importance of each group of transport observations in estimating these parameters was evaluated using sensitivity analysis, and five out of nine parameters were calibrated against these data. Results showed the advantages of using temporal moment of conservative tracer BTCs and mass discharge as observations for inverse modeling.

Tuning transport properties on graphene multiterminal structures by mechanical deformations

NASA Astrophysics Data System (ADS)

Latge, Andrea; Torres, Vanessa; Faria, Daiara

The realization of mechanical strain on graphene structures is viewed as a promise route to tune electronic and transport properties such as changing energy band-gaps and promoting localization of states. Using continuum models, mechanical deformations are described by effective gauge fields, mirrored as pseudomagnetic fields that may reach quite high values. Interesting symmetry features are developed due to out of plane deformations on graphene; lift sublattice symmetry was predicted and observed in centrosymmetric bumps and strained nanobubbles. Here we discuss the effects of Gaussian-like strain on a hexagonal graphene flake connected to three leads, modeled as perfect graphene nanoribbons. The Green function formalism is used within a tight-binding approximation. For this particular deformation sharp resonant states are achieved depending on the strained structure details. We also study a fold-strained structure in which the three leads are deformed extending up to the very center of the hexagonal flake. We show that conductance suppressions can be controlled by the strain intensity and important transport features are modeled by the electronic band structure of the leads.

Estimation of time-series properties of gourd observed solar irradiance data using cloud properties derived from satellite observations

NASA Astrophysics Data System (ADS)

Watanabe, T.; Nohara, D.

2017-12-01

The shorter temporal scale variation in the downward solar irradiance at the ground level (DSI) is not understood well because researches in the shorter-scale variation in the DSI is based on the ground observation and ground observation stations are located coarsely. Use of dataset derived from satellite observation will overcome such defect. DSI data and MODIS cloud properties product are analyzed simultaneously. Three metrics: mean, standard deviation and sample entropy, are used to evaluate time-series properties of the DSI. Three metrics are computed from two-hours time-series centered at the observation time of MODIS over the ground observation stations. We apply the regression methods to design prediction models of each three metrics from cloud properties. The validation of the model accuracy show that mean and standard deviation are predicted with a higher degree of accuracy and that the accuracy of prediction of sample entropy, which represents the complexity of time-series, is not high. One of causes of lower prediction skill of sample entropy is the resolution of the MODIS cloud properties. Higher sample entropy is corresponding to the rapid fluctuation, which is caused by the small and unordered cloud. It seems that such clouds isn't retrieved well.

Ab initio electronic transport and thermoelectric properties of solids from full and range-separated hybrid functionals

NASA Astrophysics Data System (ADS)

Sansone, Giuseppe; Ferretti, Andrea; Maschio, Lorenzo

2017-09-01

Within the semiclassical Boltzmann transport theory in the constant relaxation-time approximation, we perform an ab initio study of the transport properties of selected systems, including crystalline solids and nanostructures. A local (Gaussian) basis set is adopted and exploited to analytically evaluate band velocities as well as to access full and range-separated hybrid functionals (such as B3LYP, PBE0, or HSE06) at a moderate computational cost. As a consequence of the analytical derivative, our approach is computationally efficient and does not suffer from problems related to band crossings. We investigate and compare the performance of a variety of hybrid functionals in evaluating Boltzmann conductivity. Demonstrative examples include silicon and aluminum bulk crystals as well as two thermoelectric materials (CoSb3, Bi2Te3). We observe that hybrid functionals other than providing more realistic bandgaps—as expected—lead to larger bandwidths and hence allow for a better estimate of transport properties, also in metallic systems. As a nanostructure prototype, we also investigate conductivity in boron-nitride (BN) substituted graphene, in which nanoribbons (nanoroads) alternate with BN ones.

Transport and thermoelectric properties of the LaAlO3/SrTiO3 interface

NASA Astrophysics Data System (ADS)

Jost, A.; Guduru, V. K.; Wiedmann, S.; Maan, J. C.; Zeitler, U.; Wenderich, S.; Brinkman, A.; Hilgenkamp, H.

2015-01-01

The transport and thermoelectric properties of the interface between SrTiO3 and a 26-monolayer-thick LaAlO3 layer grown at high oxygen pressure have been investigated at temperatures from 4.2 to 100 K and in magnetic fields up to 18 T. For T >4.2 K , two different electronlike charge carriers originating from two electron channels which contribute to transport are observed. We probe the contributions of a degenerate and a nondegenerate band to the thermoelectric power and develop a consistent model to describe the temperature dependence of the thermoelectric tensor. Anomalies in the data point to an additional magnetic field dependent scattering.

Volatile Transport on Pluto: First Results from the 2013 Observing Season

NASA Astrophysics Data System (ADS)

Buratti, B. J.; Dalba, P. A.; Hicks, M.; Chu, D.; O'Neill, A.; Chesley, J. P.

2013-12-01

With the New Horizons spacecraft due to encounter Pluto in slightly less than two years, close scrutiny of this dwarf ice planet has begun in earnest. Ground-based observations are especially critical for context and for a larger temporal excursion. Seasonal transport of volatiles should occur on Pluto, and this transport should be detectable through changes in its rotational light curve, once all variations due to viewing geometry have been modeled. Giving the steady increase observed in Pluto's atmospheric pressure over the past two decades, associated sublimation of frost from the surface has likely occurred, as predicted by volatile transport models. Rotational light curves of Pluto through time have been created for static frost models based on images from the Hubble Space Telescope. These models, which account for changes in viewing geometry, have been compared with observed light curves obtained between 1950 and 2013. No evidence for transport was evident prior to 2000. Observations from 2002 (Buie et al., 2010, Astron. J. 139, 1128) and 2007-2008 (Hicks et al. 2008, B.A.A.S. 40, 460) suggest changes in the frost pattern on Pluto's surface. New observations of Pluto's light curve from the 2013 season from Table Mountain Observatory show no evidence for the large transport of volatiles on Pluto's surface. Our data are the first measurement of a large opposition surge on Pluto similar to that seen on other icy bodies. Both Buie et al. (2010) and our observations from the 2012-2013 seasons show that Pluto is becoming more red in color. This observation makes sense if nitrogen is being removed from the surface to uncover a red, photolyzed substrate of methane. Funded by NASA.

Effects of intravenous furosemide on mucociliary transport and rheological properties of patients under mechanical ventilation

PubMed Central

Kondo, Cláudia Seiko; Macchionne, Mariângela; Nakagawa, Naomi Kondo; de Carvalho, Carlos Roberto Ribeiro; King, Malcolm; Saldiva, Paulo Hilário Nascimento; Lorenzi-Filho, Geraldo

2002-01-01

The use of intravenous (IV) furosemide is common practice in patients under mechanical ventilation (MV), but its effects on respiratory mucus are largely unknown. Furosemide can affect respiratory mucus either directly through inhibition of the NaK(Cl)2 co-transporter on the basolateral surface of airway epithelium or indirectly through increased diuresis and dehydration. We investigated the physical properties and transportability of respiratory mucus obtained from 26 patients under MV distributed in two groups, furosemide (n = 12) and control (n = 14). Mucus collection was done at 0, 1, 2, 3 and 4 hours. The rheological properties of mucus were studied with a microrheometer, and in vitro mucociliary transport (MCT) (frog palate), contact angle (CA) and cough clearance (CC) (simulated cough machine) were measured. After the administration of furosemide, MCT decreased by 17 ± 19%, 24 ± 11%, 18 ± 16% and 18 ± 13% at 1, 2, 3 and 4 hours respectively, P < 0.001 compared with control. In contrast, no significant changes were observed in the control group. The remaining parameters did not change significantly in either group. Our results support the hypothesis that IV furosemide might acutely impair MCT in patients under MV. PMID:11940271

Effect of Alignment on Transport Properties of Carbon Nanotube/Metallic Junctions

NASA Technical Reports Server (NTRS)

Wincheski, Buzz; Namkung, Min; Smits, Jan; Williams, Phillip; Harvey, Robert

2003-01-01

Ballistic and spin coherent transport in single walled carbon nanotubes (SWCNT) are predicted to enable high sensitivity single-nanotube devices for strain and magnetic field sensing. Based upon these phenomena, electron beam lithography procedures have been developed to study the transport properties of purified HiPCO single walled carbon nanotubes for development into sensory materials for nondestructive evaluation. Purified nanotubes are dispersed in solvent suspension and then deposited on the device substrate before metallic contacts are defined and deposited through electron beam lithography. This procedure produces randomly dispersed ropes, typically 2 - 20 nm in diameter, of single walled carbon nanotubes. Transport and scanning probe microscopy studies have shown a good correlation between the junction resistance and tube density, alignment, and contact quality. In order to improve transport properties of the junctions a technique has been developed to align and concentrate nanotubes at specific locations on the substrate surface. Lithographic techniques are used to define local areas where high frequency electric fields are to be concentrated. Application of the fields while the substrate is exposed to nanotube-containing solution results in nanotube arrays aligned with the electric field lines. A second electron beam lithography layer is then used to deposit metallic contacts across the aligned tubes. Experimental measurements are presented showing the increased tube alignment and improvement in the transport properties of the junctions.

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

NASA Astrophysics Data System (ADS)

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.

Electronic and transport properties of 1D aluminum at atomic scale

NASA Astrophysics Data System (ADS)

Bhuyan, Prabal Dev; Gupta, Sanjeev K.; Sonvane, Yogesh; Kumar, Ashok

2018-04-01

In this paper, we have studied the structural, electronic and transport properties of 1D carbyne like chain and ribbon like zigzag structures of aluminum (Al) nanowire. The ribbon with width of 4.79Å (2R) and 7.01Å (3R) shows better room temperature conductivity i.e. 3.50×1019 (Ω m s)-1 and 3.91×1019 (Ω m s)-1 respectively. We have observed that Al chain conducts better than Al ribbon; however the conductivity for the ribbon can be enhanced by increasing the width. On the other hand, higher thermal conductivity has been found to possess Al ribbon (3R) structure.

Radiation Transport Properties of Polyethylene-Fiber Composites

NASA Technical Reports Server (NTRS)

Kaul, Raj K.; Barghouty, A. F.; Dahche, H. M.

2003-01-01

Composite materials that can both serve as effective shielding materials against cosmic-ray and energetic solar particles in deep space as well as structural materials for habitat and spacecraft remain a critical and mission enabling piece in mission planning and exploration. Polyethylene is known to have excellent shielding properties due to its low density coupled with high hydrogen content. Polyethylene fiber reinforced composites promise to combine this shielding effectiveness with the required mechanical properties of structural materials. Samples of Polyethylene-fiber reinforced epoxy matrix composite 1-5 cm thick were prepared at NASA's Marshall Space Flight Center and tested against 500 MeV/nucleon Fe beam at the HIMAC facility of NIRS in Chiba, Japan. This paper presents measured and calculated results for the radiation transport properties of these samples.

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

NASA Astrophysics Data System (ADS)

Litaudon, X.; Sakamoto, Y.; de Vries, P. C.; Salmi, A.; Tala, T.; Angioni, C.; Benkadda, S.; Beurskens, M. N. A.; Bourdelle, C.; Brix, M.; Crombé, 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.; ITPA Transport Group; JT-60 Team; EFDA contributors, JET

2011-07-01

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 shape, toroidal magnetic field ripple and dimensionless profiles as close as possible during the ITB triggering phase in terms of safety factor, normalized Larmor radius, normalized collision frequency, thermal beta, ratio of ion to electron temperatures. Similarities in the ITB triggering mechanisms and sustainment were observed when a good match was achieved of the most relevant normalized profiles except the toroidal Mach number. Similar thermal ion transport levels in the two devices have been measured in either monotonic or non-monotonic q-profiles. In contrast, differences between JET and JT-60U were observed on the electron thermal and particle confinement in reversed magnetic shear configurations. It was found that the larger shear reversal in the very centre (inside normalized radius of 0.2) of JT-60U plasmas allowed the sustainment of stronger electron density ITBs compared with JET. As a consequence of peaked density profile, the core bootstrap current density is more than five times higher in JT-60U compared with JET. Thanks to the bootstrap effect and the slightly broader neutral beam deposition, reversed magnetic shear configurations are self-sustained in JT-60U scenarios. Analyses of similarities and differences between the two devices address key questions on the validity of the usual assumptions made in ITER steady scenario modelling, e.g. a flat density profile in the core with thermal transport barrier? Such assumptions have consequences on the prediction of fusion performance, bootstrap current and on the sustainment of the scenario.

Electronic transport properties of single-crystal bismuth nanowire arrays

NASA Astrophysics Data System (ADS)

Zhang, Zhibo; Sun, Xiangzhong; Dresselhaus, M. S.; Ying, Jackie Y.; Heremans, J.

2000-02-01

We present here a detailed study of the electrical transport properties of single-crystal bismuth nanowire arrays embedded in a dielectric matrix. Measurements of the resistance of Bi nanowire arrays with different wire diameters (60-110 nm) have been carried out over a wide range of temperatures (2.0-300 K) and magnetic fields (0-5.4 T). The transport properties of a heavily Te-doped Bi nanowire array have also been studied. At low temperatures, we show that the wire boundary scattering is the dominant scattering process for carriers in the undoped single-crystal Bi nanowires, while boundary scattering is less important for a heavily Te-doped sample, consistent with general theoretical considerations. The temperature dependences of the zero-field resistivity and of the longitudinal magneto-coefficient of the Bi nanowires were also studied and were found to be sensitive to the wire diameter. The quantum confinement of carriers is believed to play an important role in determining the overall temperature dependence of the zero-field resistivity. Theoretical considerations of the quantum confinement effects on the electronic band structure and on the transport properties of Bi nanowires are discussed. Despite the evidence for localization effects and diffusive electron interactions at low temperatures (T<=4.0 K), localization effects are not the dominant mechanisms affecting the resistivity or the magnetoresistance in the temperature range of this study.

Rectification of nanopores in aprotic solvents--transport properties of nanopores with surface dipoles.

PubMed

Plett, Timothy; Shi, Wenqing; Zeng, Yuhan; Mann, William; Vlassiouk, Ivan; Baker, Lane A; Siwy, Zuzanna S

2015-12-07

Nanopores have become a model system to understand transport properties at the nanoscale. We report experiments and modeling of ionic current in aprotic solvents with different dipole moments through conically shaped nanopores in a polycarbonate film and through glass nanopipettes. We focus on solutions of the salt LiClO4, which is of great importance in modeling lithium based batteries. Results presented suggest ion current rectification observed results from two effects: (i) adsorption of Li(+) ions to the pore walls, and (ii) a finite dipole moment rendered by adsorbed solvent molecules. Properties of surfaces in various solvents were probed by means of scanning ion conductance microscopy, which confirmed existence of an effectively positive surface potential in aprotic solvents with high dipole moments.

Dust transport and deposition observed from the Terra-MODIS space observations

NASA Astrophysics Data System (ADS)

Kaufman, Y. J.; Koren, I.; Tanre, D.; Fan, S.; Remer, L.; Ginoux, P.

2003-12-01

Meteorological observations, in situ data and satellite images of dust episodes were used already in the 1970s to estimate that 100 tg of dust are transported from Africa over the Atlantic Ocean every year between June and August and deposited in the Atlantic Ocean and the Americas. Desert dust is a main source of nutrients to oceanic biota and the Amazon forest, but deteriorates air quality and caries pathogens as shown for Florida. Dust affects the Earth radiation budget, thus participating in climate change and feedback mechanisms. There is an urgent need for new tools for quantitative evaluation of the dust distribution, transport and deposition. The Terra spacecraft launched at the dawn of the last millennium provides first systematic well calibrated multispectral measurements from the MODIS instrument, for daily global analysis of aerosol. MODIS data are used here to distinguish dust from smoke and maritime aerosols and evaluate the African dust column concentration, transport and deposition. We found that 230 80 tg of dust are transported annually from Africa to the Atlantic Ocean, 30 tg return to Africa and Europe, 70 tg reach the Caribbean, 45 tg fertilize the Amazon Basin, 4 times as previous estimates thus explaining a paradox regarding the source of nutrition to the Amazon forest, and 120 40 tg are deposited in the Atlantic Ocean. The results are compared favorably with dust transport models for particle radius * 12 m. This study is a first example of quantitative use of MODIS aerosol for a geophysical study.

Dust Transport and Deposition Observed from the Terra-MODIS Space Observations

NASA Technical Reports Server (NTRS)

Kaufman, Y. J.; Koren, I.; Remer, L. A.; Tanre, D.; Fan, Ginoux; Fan, S.

2004-01-01

Meteorological observations, in situ data and satellite images of dust episodes were used already in the 1970s to estimate that 100 tg of dust are transported from Africa over the Atlantic Ocean every year between June and August and deposited in the Atlantic Ocean and the Americas. Desert dust is a main source of nutrients to oceanic biota and the Amazon forest, but deteriorates air quality and caries pathogens as shown for Florida. Dust affects the Earth radiation budget, thus participating in climate change and feedback mechanisms. There is an urgent need for new tools for quantitative evaluation of the dust distribution, transport and deposition. The Terra spacecraft launched at the dawn of the last millennium provides first systematic well calibrated multispectral measurements from the MODIS instrument, for daily global analysis of aerosol. MODIS data are used here to distinguish dust from smoke and maritime aerosols and evaluate the African dust column concentration, transport and deposition. We found that 230+/-80 tg of dust are transported annually from Africa to the Atlantic Ocean, 30 tg return to Africa and Europe, 70 tg reach the Caribbean, 45 tg fertilize the Amazon Basin, 4 times as previous estimates thus explaining a paradox regarding the source of nutrition to the Amazon forest, and 120+/-40 tg are deposited in the Atlantic Ocean. The results are compared favorably with dust transport models for particle radius less than or equal to 12 microns. This study is a first example of quantitative use of MODIS aerosol for a geophysical study.

Transport properties of puerarin and effect of Radix Angelicae Dahuricae extract on the transport of puerarin in Caco-2 cell model.

PubMed

Liang, Xin-Li; Zhao, Li-Jun; Liao, Zheng-Gen; Zhao, Guo-Wei; Zhang, Jing; Chao, Yun-Chao; Yang, Ming; Yin, Rong-Li

2012-12-18

Angelicae Dahurica (Hoffm.)Benth.& Hook.f.ex Franch.&Sav combined with Pueraria labota (Willd.)Ohwi has been widely used as herb-pairs in traditional Chinese medicine (TCM) for utilization of antipyretic analgesic and anti-inflammatory drugs, and modern pharmacological studies have shown that application compatibility of the two drugs has the effects of cardiovascular disease treatment. The previous study has proved that Radix Angelicae Dahuricae extract could enhance the intestinal absorption of puerarin in Pueraria. But the underlying compatibility mechanism of the two herbs remains unknown. In this study we tried to further evaluate the improvement of Radix Angelicae Dahuricae extract on the puerarin using the Caco-2 cell model and explore the transport properties of puerarin through the above research to discuss the possible effect mechanism of Radix Angelicae Dahuricae extract on the transport of puerarin and the underlying compatibility mechanism of the two herbs. The aim of this work was to study the transport properties of puerarin in Radix Pueraria across Caco-2 cell membrane and to explore how the Radix Angelicae Dahuricae extract affected the transport of puerarin using the well-characterized, human-based intestinal Caco-2 cell model as a platform. The bidirectional transport, and the effects of time, drug concentration, pH, P-gp inhibitors (Verapamil, Cyclosporin A), MRP inhibitor (MK-571) and EDTA-Na(2) (tight junction modulator) on the absorption of puerarin were observed. Then the influence of extract of Radix Angelicae Dahuricae on the transport of puerarin was studied. Drug concentration was measured by HPLC and the apparent permeability coefficients (Papp) and apparent permeability ratio (PDR) were calculated. The results showed that the transport (Papp) of puerarin in Caco-2 cell monolayer model had time and concentration dependence, and the transport showed saturation characteristics with the time and concentration of puerarin to a certain

Transport Properties of Melanosomes along Microtubules Interpreted by a Tug-of-War Model with Loose Mechanical Coupling

PubMed Central

Bouzat, Sebastián; Levi, Valeria; Bruno, Luciana

2012-01-01

In this work, we explored theoretically the transport of organelles driven along microtubules by molecular motors of opposed polarities using a stochastic model that considers a Langevin dynamics for the cargo, independent cargo-motor linkers and stepping motion for the motors. It has been recently proposed that the stiffness of the motor plays an important role when multiple motors collectively transport a cargo. Therefore, we considered in our model the recently reported values for the stiffness of the cargo-motor linker determined in living cells (∼0.01 pN/nm, [1]) which is significantly lower than the motor stiffness obtained in in vitro assays and used in previous studies. Our model could reproduce the multimodal velocity distributions and typical trajectory characteristics including the properties of the reversions in the overall direction of motion observed during melanosome transport along microtubules in Xenopus laevis melanophores. Moreover, we explored the contribution of the different motility states of the cargo-motor system to the different modes of the velocity distributions and could identify the microscopic mechanisms of transport leading to trajectories compatible with those observed in living cells. Finally, by changing the attachment and detachment rates, the model could reproduce the different velocity distributions observed during melanosome transport along microtubules in Xenopus laevis melanophores stimulated for aggregation and dispersion. Our analysis suggests that active tug-of-war processes with loose mechanical coupling can account for several aspects of cargo transport along microtubules in living cells. PMID:22952716

Entrainment and Optical Properties of an Elevated Canadian Forest Fire Plume Transported into the Planetary Boundary Layer near Washington, D.C.

NASA Technical Reports Server (NTRS)

Colarco, P. R.; Schoeberl, M. R.; Doddridge, B. G.; Marufu, L. T.; Torres, O.; Welton, E. J.

2003-01-01

Smoke and pollutants from Canadian forest fires were transported over the northeastern United States in July 2002. Lidar observations at the NASA Goddard Space Flight Center show the smoke from these fires arriving in an elevated plume that was subsequently mixed to the surface. Trajectory and three-dimensional model calculations confirm the origin of the smoke and show that it mixed to the surface after it was intercepted by the turbulent planetary boundary layer. Modeled smoke optical properties agreed well with aircraft and remote sensing observations provided coagulation of smoke particles was accounted for in the model. Our results have important implications for the long-range transport of pollutants and their subsequent entrainment to the surface, as well as the evolving optical properties of smoke from boreal forest fires.

Constraints on active region coronal heating properties from observations and modeling of chromospheric, transition region, and coronal emission

NASA Astrophysics Data System (ADS)

Testa, P.; Polito, V.; De Pontieu, B.; Carlsson, M.; Reale, F.; Allred, J. C.; Hansteen, V. H.

2017-12-01

We investigate coronal heating properties in active region cores in non-flaring conditions, using high spatial, spectral, and temporal resolution chromospheric/transition region/coronal observations coupled with detailed modeling. We will focus, in particular, on observations with the Interface Region Imaging Spectrograph (IRIS), joint with observations with Hinode (XRT and EIS) and SDO/AIA. We will discuss how these observations and models (1D HD and 3D MHD, with the RADYN and Bifrost codes) provide useful diagnostics of the coronal heating processes and mechanisms of energy transport.

Electronic and transport properties of BCN alloy nanoribbons

NASA Astrophysics Data System (ADS)

Darvishi Gilan, Mahdi; Chegel, Raad

2018-03-01

The dependence of the carbon (C) concentration on the electronic and transport properties of boron carbonitride (BCN) alloy nanoribbons have been investigated using surface Green's functions technique and random Hamiltonian model by considering random hopping parameters including first and second nearest neighbors. Our calculations indicate that substituting boron (nitrogen) sites with carbon atoms induces a new band close to conduction (valence) band and carbon atoms behave like a donor (acceptor) dopants. Also, while both nitrogen and boron sites are substituted randomly by carbon atoms, new bands are induced close to both valence and conduction bands. The band gap decreases with C substituting and the number of charge carriers increases in low bias voltage. Far from Fermi level in the higher range of energy, transmission coefficient and current of the system are reduced by increasing the C concentration. Based on our results, tuning the electronic and transport properties of BCN alloy nanoribbons by random carbon dopants could be applicable to design nanoelectronics devices.

Central role of the observable electric potential in transport equations.

PubMed

Garrido, J; Compañ, V; López, M L

2001-07-01

Nonequilibrium systems are usually studied in the framework of transport equations that involve the true electric potential (TEP), a nonobservable variable. Nevertheless another electric potential, the observable electric potential (OEP), may be defined to construct a useful set of transport equations. In this paper several basic characteristics of the OEP are deduced and emphasized: (i) the OEP distribution depends on thermodynamic state of the solution, (ii) the observable equations have a reference value for all other transport equations, (iii) the bridge that connects the OEP with a certain TEP is usually defined by the ion activity coefficient, (iv) the electric charge density is a nonobservable variable, and (v) the OEP formulation constitutes a natural model for studying the fluxes in membrane systems.

Evolution of structural and transport properties in Y-doped double perovskite Sr2FeIrO6

NASA Astrophysics Data System (ADS)

Kharkwal, K. C.; Pramanik, A. K.

2018-05-01

The structural and transport properties of Yttrium doped double perovskite Sr2FeIrO6 have been investigated. Structural properties have been investigated by means of x-ray diffraction measurement and Rietveld analysis. Structural transition has not been observed although lattice parameters evolve with the Yttrium doping. All samples have been found to be insulating over the whole temperature range where the resistivity increases with doping. This increase in resistivity with doping may be due to the change in charge state of transition metal.

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

NASA Astrophysics Data System (ADS)

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.

Optical and transport properties of dense liquid silica

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qi, Tingting; Millot, Marius; Kraus, Richard G.

2015-06-15

Using density-functional-theory based molecular dynamics and the Kubo-Greenwood linear response theory, we evaluated the high-pressure equation of state and the optical and transport properties of quartz and fused silica shock-compressed to 2000 GPa. The computed Hugoniots and corresponding optical reflectivity values are in very good agreement with published data for quartz, and new data that we obtained on fused silica using magnetically launched flyer plate experiments. The rise of optical reflectivity upon shock compression appears to be primarily a temperature-driven mechanism, which is relatively insensitive to small density variation. We observed that the electrical conductivity does not display Drude-like frequencymore » dependence, especially at lower temperatures. In addition, the Wiedemann-Franz relation between electrical and thermal conductivities was found to be invalid. It suggests that even at three-fold compression, warm dense liquid silica on the Hugoniot curve is still far away from the degenerate limit.« less

Transport properties of carbon dioxide and methane from molecular dynamics simulations.

PubMed

Aimoli, C G; Maginn, E J; Abreu, C R A

2014-10-07

Transport properties of carbon dioxide and methane are predicted for temperatures between (273.15 and 573.15) K and pressures up to 800 MPa by molecular dynamics simulations. Viscosities and thermal conductivities were obtained through the Green-Kubo formalism, whereas the Einstein relation was used to provide self-diffusion coefficient estimates. The differences in property predictions due to the force field nature and parametrization were investigated by the comparison of seven different CO2 models (two single-site models, three rigid three-site models, and two fully flexible three-site models) and three different CH4 models (two single-site models and one fully flexible five-site model). The simulation results show good agreement with experimental data, except for thermal conductivities at low densities. The molecular structure and force field parameters play an important role in the accuracy of the simulations, which is within the experimental deviations reported for viscosities and self-diffusion coefficients considering the most accurate CO2 and CH4 models studied. On the other hand, the molecular flexibility does not seem to improve accuracy, since the explicit account of vibrational and bending degrees of freedom in the CO2 flexible models leads to slightly less accurate results. Nonetheless, the use of a correctional term to account for vibrational modes in rigid models generally improves estimations of thermal conductivity values. At extreme densities, the caging effect observed with single-site representations of the molecules restrains mobility and leads to an unphysical overestimation of viscosities and, conversely, to the underestimation of self-diffusion coefficients. This result may help to better understand the limits of applicability of such force fields concerning structural and transport properties of dense systems.

Effects of nanosized constriction on thermal transport properties of graphene

PubMed Central

2014-01-01

Thermal transport properties of graphene with nanosized constrictions are investigated using nonequilibrium molecular dynamics simulations. The results show that the nanosized constrictions have a significant influence on the thermal transport properties of graphene. The thermal resistance of the nanosized constrictions is on the order of 107 to 109 K/W at 150 K, which reduces the thermal conductivity by 7.7% to 90.4%. It is also found that the constriction resistance is inversely proportional to the width of the constriction and independent of the heat current. Moreover, we developed an analytical model for the ballistic thermal resistance of the nanosized constrictions in two-dimensional nanosystems. The theoretical prediction agrees well with the simulation results in this paper, which suggests that the thermal transport across the nanosized constrictions in two-dimensional nanosystems is ballistic in nature. PACS 65.80.CK; 61.48.Gh; 63.20.kp; 31.15.xv PMID:25232292

Transport properties of initially neutral gas disturbed by intense electron beam

NASA Astrophysics Data System (ADS)

Angus, Justin; Swanekamp, Steve; Schumer, Joseph; Mosher, Dave; Ottinger, Paul

2013-10-01

The behavior of intense electron beams (those with current densities on the order of hundreds of kA/cm2 and beam rise times on the order of 100 ns) traveling through gaseous mediums depends strongly on the transport properties of the medium. For example, the conductivity of the medium, which is very sensitive to the ionization state and temperature of the gas, has a strong influence on the beam behavior through the plasma return current. Since the beam is responsible for ionizing and heating the gas, self-consistently solving for the gas transport properties and the beam propagation is essential for an accurate description of the system. An advanced gas chemistry model to describe the transport properties of a strongly disturbed gaseous system is presented in this work. A focal point of this work is an accurate description of the medium's conductivity as the gas progresses from its weakly ionized state, where swarm models are valid, to a strongly ionized state where the Spitzer-Harm model applies. NRL Karle Fellowship

Assessing Electrolyte Transport Properties with Molecular Dynamics

DOE PAGES

Jones, R. E.; Ward, D. K.; Gittleson, F. S.; ...

2017-04-15

Here in this work we use estimates of ionic transport properties obtained from molecular dynamics to rank lithium electrolytes of different compositions. We develop linear response methods to obtain the Onsager diffusivity matrix for all chemical species, its Fickian counterpart, and the mobilities of the ionic species. We apply these methods to the well-studied propylene carbonate/ethylene carbonate solvent with dissolved LiBF 4 and O 2. The results show that, over a range of lithium concentrations and carbonate mixtures, trends in the transport coefficients can be identified and optimal electrolytes can be selected for experimental focus; however, refinement of these estimationmore » techniques is necessary for a reliable ranking of a large set of electrolytes.« less

SPECIES - EVALUATING THERMODYNAMIC PROPERTIES, TRANSPORT PROPERTIES & EQUILIBRIUM CONSTANTS OF AN 11-SPECIES AIR MODEL

NASA Technical Reports Server (NTRS)

Thompson, R. A.

1994-01-01

Accurate numerical prediction of high-temperature, chemically reacting flowfields requires a knowledge of the physical properties and reaction kinetics for the species involved in the reacting gas mixture. Assuming an 11-species air model at temperatures below 30,000 degrees Kelvin, SPECIES (Computer Codes for the Evaluation of Thermodynamic Properties, Transport Properties, and Equilibrium Constants of an 11-Species Air Model) computes values for the species thermodynamic and transport properties, diffusion coefficients and collision cross sections for any combination of the eleven species, and reaction rates for the twenty reactions normally occurring. The species represented in the model are diatomic nitrogen, diatomic oxygen, atomic nitrogen, atomic oxygen, nitric oxide, ionized nitric oxide, the free electron, ionized atomic nitrogen, ionized atomic oxygen, ionized diatomic nitrogen, and ionized diatomic oxygen. Sixteen subroutines compute the following properties for both a single species, interaction pair, or reaction, and an array of all species, pairs, or reactions: species specific heat and static enthalpy, species viscosity, species frozen thermal conductivity, diffusion coefficient, collision cross section (OMEGA 1,1), collision cross section (OMEGA 2,2), collision cross section ratio, and equilibrium constant. The program uses least squares polynomial curve-fits of the most accurate data believed available to provide the requested values more quickly than is possible with table look-up methods. The subroutines for computing transport coefficients and collision cross sections use additional code to correct for any electron pressure when working with ionic species. SPECIES was developed on a SUN 3/280 computer running the SunOS 3.5 operating system. It is written in standard FORTRAN 77 for use on any machine, and requires roughly 92K memory. The standard distribution medium for SPECIES is a 5.25 inch 360K MS-DOS format diskette. The contents of the

Modifying the Interface Edge to Control the Electrical Transport Properties of Nanocontacts to Nanowires.

PubMed

Lord, Alex M; Ramasse, Quentin M; Kepaptsoglou, Despoina M; Evans, Jonathan E; Davies, Philip R; Ward, Michael B; Wilks, Steve P

2017-02-08

Selecting the electrical properties of nanomaterials is essential if their potential as manufacturable devices is to be reached. Here, we show that the addition or removal of native semiconductor material at the edge of a nanocontact can be used to determine the electrical transport properties of metal-nanowire interfaces. While the transport properties of as-grown Au nanocatalyst contacts to semiconductor nanowires are well-studied, there are few techniques that have been explored to modify the electrical behavior. In this work, we use an iterative analytical process that directly correlates multiprobe transport measurements with subsequent aberration-corrected scanning transmission electron microscopy to study the effects of chemical processes that create structural changes at the contact interface edge. A strong metal-support interaction that encapsulates the Au nanocontacts over time, adding ZnO material to the edge region, gives rise to ohmic transport behavior due to the enhanced quantum-mechanical tunneling path. Removal of the extraneous material at the Au-nanowire interface eliminates the edge-tunneling path, producing a range of transport behavior that is dependent on the final interface quality. These results demonstrate chemically driven processes that can be factored into nanowire-device design to select the final properties.

Transport properties of CO2-bearing MgSiO3 melt at mantle conditions

NASA Astrophysics Data System (ADS)

Ghosh, D. B.; Karki, B. B.

2017-12-01

Carbon dioxide, generally considered as the second most abundant volatile component in silicate magmas, is expected to significantly influence various melt properties. In particular, our knowledge about its dynamical effects is lacking over most of the Earth's mantle pressure regime. Here we report the first-principles molecular dynamics results on the transport properties of carbonated MgSiO3 liquid under the conditions of mantle relevance. They show that dissolved CO2 systematically enhances the diffusion rates of all elements and the associated electrical conductivity and lowers the melt viscosity on average by factors of 1.5 to 3 over the pressure range considered. They also predict anomalous dynamical behavior - increasing diffusivity and conductivity, and decreasing viscosity with compression in the low pressure regime. We attempt to link the predicted transport coefficients to the microsocopic structural changes that occur in response to pressure and temperature. This anomaly and the concomitant increase of pressure and temperature with depth together make these transport coefficients vary modestly over extended portions of the mantle regime. It is possible that the melt electrical conductivity at conditions corresponding to the 410 and 660 km seismic discontinuities is at a detectable level by electromagnetic sounding observation. Also, the low melt viscosity values 0.2-0.5 Pa s at these depths and near the core-mantle boundary may imply high mobility of possible melts in these regions.

Electrical Transport Properties of Polycrystalline Monolayer Molybdenum Disulfide

DTIC Science & Technology

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

Bioinspired ion-transport properties of solid-state single nanochannels and their applications in sensing.

PubMed

Tian, Ye; Wen, Liping; Hou, Xu; Hou, Guanglei; Jiang, Lei

2012-07-16

Biological ion channels are able to control ion-transport processes precisely because of their intriguing properties, such as selectivity, rectification, and gating. Learning from nature, scientists have developed a promising system--solid-state single nanochannels--to mimic biological ion-transport properties. These nanochannels have many impressive properties, such as excess surface charge, making them selective; the ability to be produced or modified asymmetrically, endowing them with rectification; and chemical reactivity of the inner surface, imparting them with desired gating properties. Based on these unique characteristics, solid-state single nanochannels have been explored in various applications, such as sensing. In this context, we summarize recent developments of bioinspired solid-state single nanochannels with ion-transport properties that resemble their biological counterparts, including selectivity, rectification, and gating; their applications in sensing are also introduced briefly. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of defects and doping on phonon transport properties of monolayer MoSe2

NASA Astrophysics Data System (ADS)

Yan, Zhequan; Yoon, Mina; Kumar, Satish

2018-07-01

The doping of monolayer MoSe2 by tungsten (W) can suppress the Se vacancy concentration, but how doping and resulting change in defect concentration can tune its thermal properties is not understood yet. We use first-principles density functional theory (DFT) along with the phonon Boltzmann transport equation (BTE) to study the phonon transport properties of pristine MoSe2 and W doped MoSe2 with and without the presence of Se vacancies. We found that for samples without Se vacancy, the W doping could enhance the thermal transport of monolayer MoSe2 due to reduced three-phonon scattering phase space. For example, we observed that the 16.7% W doping increases the thermal conductivity of the monolayer MoSe2 with 2% Se vacancy by 80% if all vacancies can be suppressed by W-doping. However, the W doping in the defective MoSe2 amplifies the influence of the phonon scattering caused by the Se vacancies, which results in a further decrease in thermal conductivity of monolayer MoSe2 with defects. This is found to be related with higher phonon density of states of Mo0.83W0.17Se2 and larger mass difference between W and Se atoms compared to Mo and Se atoms. This study deciphers the effect of defects and doping on the thermal conductivity of monolayer MoSe2, which helps us understand the mechanism of defect-induced phonon transport, and provides insights into enhancing the heat dissipation in MoSe2-based electronic devices.

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

NASA Astrophysics Data System (ADS)

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.

Computer programs for thermodynamic and transport properties of hydrogen

NASA Technical Reports Server (NTRS)

Hall, W. J.; Mc Carty, R. D.; Roder, H. M.

1968-01-01

Computer program subroutines provide the thermodynamic and transport properties of hydrogen in tabular form. The programs provide 18 combinations of input and output variables. This program is written in FORTRAN 4 for use on the IBM 7044 or CDC 3600 computers.

Observation of multi-channel non-local transport in J-TEXT plasmas

NASA Astrophysics Data System (ADS)

Shi, Yuejiang; Chen, Zhongyong; Yang, Zhoujun; Shi, Peng; Zhao, Kaijun; Diamond, Patrick H.; Kwon, JaeMin; Yan, Wei; Zhou, Hao; Pan, Xiaoming; Cheng, Zhifeng; Chen, Zhiping; Yang, SeongMoo; Zhang, Chi; Li, Da; Dong, Yunbo; Wang, Lu; Ding, YongHua; Liang, Yunfeng; Hahn, SangHee; Jhang, HoGun; Na, Yong-Su

2018-04-01

In cold pulse experiments in J-TEXT, not only are rapid electron temperature increases in the core observed, but also steep rises in the inner density are found. Moreover, some evidence of acceleration of the core toroidal rotation is also observed during the non-local transport process of electron temperature. These new findings of cold pulse experiments in J-TEXT suggest that turbulence spreading is a possible mechanism for the non-local transport dynamics.

Semiclassical transport properties of IrGa₃: a promising thermoelectric material.

PubMed

Alvarez Quiceno, Juan Camilo; Dalpian, Gustavo; Fazzio, Adalberto; Osorio-Guillén, Jorge M

2018-01-09

IrGa3 is an intermetallic compound which is expected to be a metal, but a study on the electronic properties of this material to confirm its metallic character is not available in the literature. In this work, we report for the first time a first-principles Density Functional Theory and semiclassical Boltzmann theory study of the structural, electronic and transport properties of this material. The inclusion of the spin-orbit coupling term is crucial to calculate accurately the electronic properties of this compound. We have established that IrGa3 is an indirect semiconductor with a narrow gap of 0.07 eV. From semiclassical Boltzmann transport theory, it is inferred that this material, with the appropriate hole concentration, could have a thermoelectric figure of merit at room temperature comparable to other intermetallic compounds such as FeGa3, though the transport properties of IrGa3 are highly anisotropic. . © 2018 IOP Publishing Ltd.

Laboratory comparison of several tests for evaluating the transport properties of concrete.

DOT National Transportation Integrated Search

2006-01-01

The transport properties of concrete are a primary element in determining the durability of concrete. In this study, several new test methods that directly measure aspects of fluid and ionic transport in concrete were examined. ASTM C 1543 and ASTM C...

Transport Properties of Complex Oxides: New Ideas and Insights from Theory and Simulation

NASA Astrophysics Data System (ADS)

Benedek, Nicole

Complex oxides are one of the largest and most technologically important materials families. The ABO3 perovskite oxides in particular display an unparalleled variety of physical properties. The microscopic origin of these properties (how they arise from the structure of the material) is often complicated, but in many systems previous research has identified simple guidelines or `rules of thumb' that link structure and chemistry to the physics of interest. For example, the tolerance factor is a simple empirical measure that relates the composition of a perovskite to its tendency to adopt a distorted structure. First-principles calculations have shown that the tendency towards ferroelectricity increases systematically as the tolerance factor of the perovskite decreases. Can we uncover a similar set of simple guidelines to yield new insights into the ionic and thermal transport properties of perovskites? I will discuss recent research from my group on the link between crystal structure and chemistry, soft phonons and ionic transport in a family of layered perovskite oxides, the Ln2NiO4+δ Ruddlesden-Popper phases. In particular, we show how the lattice dynamical properties of these materials (their tendency to undergo certain structural distortions) can be correlated with oxide ion transport properties. Ultimately, we seek new ways to understand the microscopic origins of complex transport processes and to develop first-principles-based design rules for new materials based on our understanding.

Transport properties of an asymmetric mixture in the dense plasma regime

DOE PAGES

Ticknor, Christopher; Kress, Joel David; Collins, Lee A.; ...

2016-06-23

Here, we study how concentration changes ionic transport properties along isobars-isotherms for a mixture of hydrogen and silver, representative of turbulent layers relevant to inertial confinement fusion and astrophysics. Hydrogen will typically be fully ionized while silver will be only partially ionized but can have a large effective charge. This will lead to very different physical conditions for the H and Ag. Large first principles orbital free molecular dynamics simulations are performed and the resulting transport properties are analyzed. Comparisons are made with transport theory in the kinetic regime and in the coupled regime. The addition of a small amountmore » of heavy element in a light material has a dramatic effect on viscosity and diffusion of the mixture. This effect is explained through kinetic theory as a manifestation of a crossover between classical diffusion and Lorentz diffusion.« less

Coarse grained modeling of transport properties in monoclonal antibody solution

NASA Astrophysics Data System (ADS)

Swan, James; Wang, Gang

Monoclonal antibodies and their derivatives represent the fastest growing segment of the bio pharmaceutical industry. For many applications such as novel cancer therapies, high concentration, sub-cutaneous injections of these protein solutions are desired. However, depending on the peptide sequence within the antibody, such high concentration formulations can be too viscous to inject via human derived force alone. Understanding how heterogenous charge distribution and hydrophobicity within the antibodies leads to high viscosities is crucial to their future application. In this talk, we explore a coarse grained computational model of therapeutically relevant monoclonal antibodies that accounts for electrostatic, dispersion and hydrodynamic interactions between suspended antibodies to predict assembly and transport properties in concentrated antibody solutions. We explain the high viscosities observed in many experimental studies of the same biologics.

Dielectric behavior and transport properties of ZnO nanorods

NASA Astrophysics Data System (ADS)

Soosen Samuel, M.; Koshy, Jiji; Chandran, Anoop; George, K. C.

2011-08-01

Highly optical, good crystalline and randomly aligned ZnO nanorods were synthesized by the hydrothermal method. The dielectric properties of ZnO nanorods were attributed to the interfacial polarization at low frequencies (below 10 kHz) and orientational polarization at higher frequencies. The observed ω( n-1) dependence of dielectric loss was discussed on the basis of the Universal model of dielectric response. Dielectric loss peak was composed of the Debye like loss peak at higher frequencies and interfacial loss peak at lower frequencies. Charge transport through the grain and grain boundary region was investigated by impedance spectroscopy. At higher temperatures the conductivity of the nanorod was mainly through the grain interior and the overall impedance was contributed by the grain boundary region. The activation energy of nanorod was calculated as 0.078 eV, which is slightly higher than the reported bulk value.

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

NASA Astrophysics Data System (ADS)

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.

Influence of phosphate on the transport properties of lead in sand.

PubMed

Butkus, Michael A; Johnson, Marie C

2011-01-15

Temporal moment analysis was used to examine the transport of lead species in sand columns. The influence of sodium phosphate (PO(4(aq))) and hydroxyapatite (HA) on lead transport was also evaluated. Transport properties of lead microparticles (diameter>0.45 μm) were a function of electrophoretic mobility: those particles with electrophoretic mobility less than -1 × 10(-8)m(2)/Vs exhibited significantly lower dimensionless first temporal moment (θ) and second temporal moment (σ(θ)(2)). The forms of lead investigated in this work had a tendency to move in sand over a wide pH range. Although the PO(4(aq)) amendment substantially reduced lead mass recoveries in the sand column effluent, lead microparticles were formed that had a tendency to move rapidly and with minimal dispersion when compared with controls. Treatments with HA provided limited reduction in lead mass recovery and minimal changes in lead transport properties. A colloid stability model was used to predict attachment of lead particles in sand. Published by Elsevier B.V.

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

NASA Astrophysics Data System (ADS)

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.

Nuclear quantum effects on structure and transport properties of dense liquid helium

NASA Astrophysics Data System (ADS)

Kang, Dongdong; Dai, Jiayu; Yuan, Jianmin

2015-11-01

Transport properties of dense liquid helium under the conditions of planet's core and cool atmosphere of white dwarfs are important for determining the structure and evolution of these astrophysical objects. We have investigated these properties of dense liquid helium by using the improved centroid path-integral simulations combined with density functional theory. The results show that with the inclusion of nuclear quantum effects (NQEs), the self-diffusion is largely higher while the shear viscosity is notably lower than the results of without the inclusion of NQEs due to the lower collision cross sections even when the NQEs have little effects on the static structures. The potential surface of helium atom along the simulation trajectory is quite different between MD and PIMD simulations. We have shown that the quantum nuclear character induces complex behaviors for ionic transport properties of dense liquid helium. NQEs bring more fluctuations of local electronic density of states than the classical treatment. Therefore, in order to construct more reasonable structure and evolution model for the planets and WDs, NQEs must be reconsidered when calculating the transport properties at certain temperature and density conditions.

Reference Fluid Thermodynamic and Transport Properties Database (REFPROP)

National Institute of Standards and Technology Data Gateway

SRD 23 NIST Reference Fluid Thermodynamic and Transport Properties Database (REFPROP) (PC database for purchase)   NIST 23 contains revised data in a Windows version of the database, including 105 pure fluids and allowing mixtures of up to 20 components. The fluids include the environmentally acceptable HFCs, traditional HFCs and CFCs and 'natural' refrigerants like ammonia

State-specific transport properties of electronically excited Ar and C

NASA Astrophysics Data System (ADS)

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.

41 CFR 302-7.10 - Is property acquired en route eligible for transportation at Government expense?

Code of Federal Regulations, 2010 CFR

2010-07-01

... PROPERTY 7-TRANSPORTATION AND TEMPORARY STORAGE OF HOUSEHOLD GOODS AND PROFESSIONAL BOOKS, PAPERS, AND EQUIPMENT (PBP&E) General Rules § 302-7.10 Is property acquired en route eligible for transportation at...

First-principles study on the electronic, optical, and transport properties of monolayer α- and β-GeSe

DOE PAGES

Xu, Yuanfeng; Zhang, Hao; Shao, Hezhu; ...

2017-12-15

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. However, for β-GeSe, robust band gaps nearly independent of the applied tensile strain along themore » armchair direction are observed. Both monolayer α- and β-GeSe exhibit anisotropic optical absorption in the visible spectrum.« less

Thermal transport in bismuth telluride quintuple layer: mode-resolved phonon properties and substrate effects

PubMed Central

Shao, Cheng; Bao, Hua

2016-01-01

The successful exfoliation of atomically-thin bismuth telluride (Bi2Te3) quintuple layer (QL) attracts tremendous research interest in this strongly anharmonic quasi-two-dimensional material. The thermal transport properties of this material are not well understood, especially the mode-wise properties and when it is coupled with a substrate. In this work, we have performed molecular dynamics simulations and normal mode analysis to study the mode-resolved thermal transport in freestanding and supported Bi2Te3 QL. The detailed mode-wise phonon properties are calculated and the accumulated thermal conductivities with respect to phonon mean free path (MFP) are constructed. It is shown that 60% of the thermal transport is contributed by phonons with MFP longer than 20 nm. Coupling with a-SiO2 substrate leads to about 60% reduction of thermal conductivity. Through varying the interfacial coupling strength and the atomic mass of substrate, we also find that phonon in Bi2Te3 QL is more strongly scattered by interfacial potential and its transport process is less affected by the dynamics of substrate. Our study provides an in-depth understanding of heat transport in Bi2Te3 QL and is helpful in further tailoring its thermal property through nanostructuring. PMID:27263656

Calculation of effective transport properties of partially saturated gas diffusion layers

NASA Astrophysics Data System (ADS)

Bednarek, Tomasz; Tsotridis, Georgios

2017-02-01

A large number of currently available Computational Fluid Dynamics numerical models of Polymer Electrolyte Membrane Fuel Cells (PEMFC) are based on the assumption that porous structures are mainly considered as thin and homogenous layers, hence the mass transport equations in structures such as Gas Diffusion Layers (GDL) are usually modelled according to the Darcy assumptions. Application of homogenous models implies that the effects of porous structures are taken into consideration via the effective transport properties of porosity, tortuosity, permeability (or flow resistance), diffusivity, electric and thermal conductivity. Therefore, reliable values of those effective properties of GDL play a significant role for PEMFC modelling when employing Computational Fluid Dynamics, since these parameters are required as input values for performing the numerical calculations. The objective of the current study is to calculate the effective transport properties of GDL, namely gas permeability, diffusivity and thermal conductivity, as a function of liquid water saturation by using the Lattice-Boltzmann approach. The study proposes a method of uniform water impregnation of the GDL based on the "Fine-Mist" assumption by taking into account the surface tension of water droplets and the actual shape of GDL pores.

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

PubMed Central

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

2015-01-01

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. PMID:26593699

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

NASA Astrophysics Data System (ADS)

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.

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

PubMed

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

2015-11-23

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.

Observation of valley-selective microwave transport in photonic crystals

NASA Astrophysics Data System (ADS)

Ye, Liping; Yang, Yuting; Hong Hang, Zhi; Qiu, Chunyin; Liu, Zhengyou

2017-12-01

Recently, the discrete valley degree of freedom has attracted extensive attention in condensed matter physics. Here, we present an experimental observation of the intriguing valley transport for microwaves in photonic crystals, including the bulk valley transport and the valley-projected edge modes along the interface separating different photonic insulating phases. For both cases, valley-selective excitations are realized by a point-like chiral source located at proper locations inside the samples. Our results are promising for exploring unprecedented routes to manipulate microwaves.

Comparison of Themodynamic and Transport Property Models for Computing Equilibrium High Enthalpy Flows

NASA Astrophysics Data System (ADS)

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.

Electronic, transport, and optical properties of bulk and mono-layer PdSe 2

DOE PAGES

Sun, Jifeng; Shi, Hongliang; Siegrist, Theo; ...

2015-10-13

In this study, the electronic and optical properties of bulk and monolayer PdSe 2 are investigated using firstprinciples calculations. Using the modified Becke-Johnson potential, we find semiconductor behavior for both bulk and monolayer PdSe 2 with indirect gap values of 0.03 eV for bulk and 1.43 eV for monolayer, respectively. Our sheet optical conductivity results support this observation and show similar anisotropic feature in the 2D plane. We further study the thermoelectric properties of the 2D PdSe 2 using Blotzmann transport model and find interestingly high Seebeck coefficients (>200 μV/K) for both p- and n-type up to high doping levelmore » (–2 x 10 13 cm 2) with an anisotropic character in an electrical conductivity suggesting better thermoelectric performance along y direction in the plane.V« less

Two-Dimensional Porous Carbon: Synthesis and Ion-Transport Properties.

PubMed

Zheng, Xiaoyu; Luo, Jiayan; Lv, Wei; Wang, Da-Wei; Yang, Quan-Hong

2015-09-23

Their chemical stability, high specific surface area, and electric conductivity enable porous carbon materials to be the most commonly used electrode materials for electrochemical capacitors (also known as supercapacitors). To further increase the energy and power density, engineering of the pore structures with a higher electrochemical accessible surface area, faster ion-transport path and a more-robust interface with the electrolyte is widely investigated. Compared with traditional porous carbons, two-dimensional (2D) porous carbon sheets with an interlinked hierarchical porous structure are a good candidate for supercapacitors due to their advantages in high aspect ratio for electrode packing and electron transport, hierarchical pore structures for ion transport, and short ion-transport length. Recent progress on the synthesis of 2D porous carbons is reported here, along with the improved electrochemical behavior due to enhanced ion transport. Challenges for the controlled preparation of 2D porous carbons with desired properties are also discussed; these require precise tuning of the hierarchical structure and a clarification of the formation mechanisms. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The importance of transport property studies for battery electrolytes: revisiting the transport properties of lithium-N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide mixtures.

PubMed

Rüther, Thomas; Kanakubo, Mitsuhiro; Best, Adam S; Harris, Kenneth R

2017-04-19

Transport properties are examined in some detail for samples of the low temperature molten salt N-propyl-N-methyl pyrrolidinium bis(fluorosulfonyl)imide [Pyr 13 ][FSI] from two different commercial suppliers. A similar set of data is presented for two different concentrations of binary lithium-[Pyr 13 ][FSI] salt mixtures from one supplier. A new and significantly different production process is used for the synthesis of Li[FSI] as well as the [Pyr 13 ] + salt used in the mixtures. Results for the viscosity, conductivity, and self-diffusion coefficients, together with the density and expansivity and apparent molar volume, are reported over the temperature range of (0 to 80) °C. The data for neat [Pyr 13 ][FSI] are discussed in the context of velocity cross correlation (VCC or f ij ) and Laity resistance (r ij ) coefficients. Unusually, f +- ∼ f ++ < f -- . The three resistance coefficients are of similar magnitude indicating all three ion-ion interactions contribute to the transport properties, not just the cation-anion interaction. The composition dependence of the transport properties is compared to previously reported data for the same and related compounds: in contrast to high-temperature molten salt mixtures, this is an exponential dependence. The Nernst-Einstein parameter Δ, which contains information on the correlations of the ionic velocities and is determined by differences in the VCC for the various ion-ion combinations, was calculated for both the neat ionic liquid and its binary mixture. It increases with increasing lithium concentration. The new data set also allows some conclusions with regards to the lithium-[FSI] - coordination environment.

Space radiation transport properties of polyethylene-based composites.

PubMed

Kaul, R K; Barghouty, A F; Dahche, H M

2004-11-01

Composite materials that can serve as both effective shielding materials against cosmic-ray and energetic solar particles in deep space, as well as structural materials for habitat and spacecraft, remain a critical and mission enabling component in mission planning and exploration. Polyethylene is known to have excellent shielding properties due to its low density, coupled with high hydrogen content. Polyethylene-fiber reinforced composites promise to combine this shielding effectiveness with the required mechanical properties of structural materials. Samples of polyethylene-fiber reinforced epoxy matrix composite 1-5 cm thick were prepared at the NASA Marshall Space Flight Center and tested against a 500 MeV/nucleon Fe beam at the HIMAC facility of NIRS in Chiba, Japan. This paper presents measured and calculated results for the radiation transport properties of these samples.

Space radiation transport properties of polyethylene-based composites

NASA Technical Reports Server (NTRS)

Kaul, R. K.; Barghouty, A. F.; Dahche, H. M.

2004-01-01

Composite materials that can serve as both effective shielding materials against cosmic-ray and energetic solar particles in deep space, as well as structural materials for habitat and spacecraft, remain a critical and mission enabling component in mission planning and exploration. Polyethylene is known to have excellent shielding properties due to its low density, coupled with high hydrogen content. Polyethylene-fiber reinforced composites promise to combine this shielding effectiveness with the required mechanical properties of structural materials. Samples of polyethylene-fiber reinforced epoxy matrix composite 1-5 cm thick were prepared at the NASA Marshall Space Flight Center and tested against a 500 MeV/nucleon Fe beam at the HIMAC facility of NIRS in Chiba, Japan. This paper presents measured and calculated results for the radiation transport properties of these samples.

Hydrodynamic & Transport Properties of Dirac Materials in the Quantum Limit

NASA Astrophysics Data System (ADS)

Gochan, Matthew; Bedell, Kevin

Dirac materials are a versatile class of materials in which an abundance of unique physical phenomena can be observed. Such materials are found in all dimensions, with the shared property that their low-energy fermionic excitations behave as massless Dirac fermions and are therefore governed by the Dirac equation. The most popular Dirac material, its two dimensional version in graphene, is the focus of this work. We seek a deeper understanding of the interactions in the quantum limit within graphene. Specifically, we derive hydrodynamic and transport properties, such as the conductivity, viscosity, and spin diffusion, in the low temperature regime where electron-electron scattering is dominant. To conclude, we look at the so-called universal lower bound conjectured by the anti-de Sitter/conformal field theory (AdS/CFT) correspondence for the ratio of shear viscosity to entropy density ratio. The lower bound, given by η / s >= ℏ / (4 πkB) , is supposedly obeyed by all quantum fluids. This leads us to ask whether or not graphene can be considered a quantum fluid and perhaps a ''nearly perfect fluid''(NPF) if this is the case, is it possible to find a violation of this bound at low temperatures.

Multi-Scale Transport Properties of Fine-Grained Rocks: A Case Study of the Kirtland Formation, San Juan Basin, USA

NASA Astrophysics Data System (ADS)

Heath, J. E.; Dewers, T. A.; McPherson, B. J.; Wilson, T. H.; Flach, T.

2009-12-01

Understanding and characterizing transport properties of fine-grained rocks is critical in development of shale gas plays or assessing retention of CO2 at geologic storage sites. Difficulties arise in that both small scale (i.e., ~ nm) properties of the rock matrix and much larger scale fractures, faults, and sedimentological architecture govern migration of multiphase fluids. We present a multi-scale investigation of sealing and transport properties of the Kirtland Formation, which is a regional aquitard and reservoir seal in the San Juan Basin, USA. Sub-micron dual FIB/SEM imaging and reconstruction of 3D pore networks in core samples reveal a variety of pore types, including slit-shaped pores that are co-located with sedimentary structures and variations in mineralogy. Micron-scale chemical analysis and XRD reveal a mixture of mixed-layer smectite/illite, chlorite, quartz, and feldspar with little organic matter. Analysis of sub-micron digital reconstructions, mercury capillary injection pressure, and gas breakthrough measurements indicate a high quality sealing matrix. Natural full and partially mineralized fractures observed in core and in FMI logs include those formed from early soil-forming processes, differential compaction, and tectonic events. The potential impact of both fracture and matrix properties on large-scale transport is investigated through an analysis of natural helium from core samples, 3D seismic data and poro-elastic modeling. While seismic interpretations suggest considerable fracturing of the Kirtland, large continuous fracture zones and faults extending through the seal to the surface cannot be inferred from the data. Observed Kirtland Formation multi-scale transport properties are included as part of a risk assessment methodology for CO2 storage. Acknowledgements: The authors gratefully acknowledge the U.S. Department of Energy’s (DOE) National Energy Technology Laboratory for sponsoring this project. The DOE’s Basic Energy Science

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

NASA Astrophysics Data System (ADS)

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.

Composition-dependent structural and transport properties of amorphous transparent conducting oxides

NASA Astrophysics Data System (ADS)

Khanal, Rabi; Buchholz, D. Bruce; Chang, Robert P. H.; Medvedeva, Julia E.

2015-05-01

Structural properties of amorphous In-based oxides, In -X -O with X =Zn , Ga, Sn, or Ge, are investigated using ab initio molecular dynamics liquid-quench simulations. The results reveal that indium retains its average coordination of 5.0 upon 20% X fractional substitution for In, whereas X cations satisfy their natural coordination with oxygen atoms. This finding suggests that the carrier generation is primarily governed by In atoms, in accord with the observed carrier concentration in amorphous In-O and In -X -O . At the same time, the presence of X affects the number of six-coordinated In atoms as well as the oxygen sharing between the InO6 polyhedra. Based on the obtained interconnectivity and spatial distribution of the InO6 and XO x polyhedra in amorphous In -X -O , composition-dependent structural models of the amorphous oxides are derived. The results help explain our Hall mobility measurements in In -X -O thin films grown by pulsed-laser deposition and highlight the importance of long-range structural correlations in the formation of amorphous oxides and their transport properties.

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

NASA Astrophysics Data System (ADS)

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.

Origin of electrochemical, structural and transport properties in non-aqueous zinc electrolytes

DOE PAGES

Han, Sang -Don; Rajput, Nav Nidhi; Qu, Xiaohui; ...

2016-01-14

Through coupled experimental analysis and computational techniques, we uncover the origin of anodic stability for a range of nonaqueous zinc electrolytes. By examination of electrochemical, structural, and transport properties of nonaqueous zinc electrolytes with varying concentrations, it is demonstrated that the acetonitrile Zn(TFSI) 2, acetonitrile Zn(CF 3SO 3) 2, and propylene carbonate Zn(TFSI) 2 electrolytes can not only support highly reversible Zn deposition behavior on a Zn metal anode (≥99% of Coulombic efficiency), but also provide high anodic stability (up to ~3.8 V). The predicted anodic stability from DFT calculations is well in accordance with experimental results, and elucidates thatmore » the solvents play an important role in anodic stability of most electrolytes. Molecular dynamics (MD) simulations were used to understand the solvation structure (e.g., ion solvation and ionic association) and its effect on dynamics and transport properties (e.g., diffusion coefficient and ionic conductivity) of the electrolytes. Lastly, the combination of these techniques provides unprecedented insight into the origin of the electrochemical, structural, and transport properties in nonaqueous zinc electrolytes« less

Electronic and transport properties of a molecular junction with asymmetric contacts.

PubMed

Tsai, M-H; Lu, T-H

2010-02-10

Asymmetric molecular junctions have been shown experimentally to exhibit a dual-conductance transport property with a pulse-like current-voltage characteristic, by Reed and co-workers. Using a recently developed first-principles integrated piecewise thermal equilibrium current calculation method and a gold-benzene-1-olate-4-thiolate-gold model molecular junction, this unusual transport property has been reproduced. Analysis of the electrostatics and the electronic structure reveals that the high-current state results from subtle bias induced charge transfer at the electrode-molecule contacts that raises molecular orbital energies and enhances the current-contributing molecular density of states and the probabilities of resonance tunneling of conduction electrons from one electrode to another.

26 CFR 49.4271-1 - Tax on transportation of property by air.

Code of Federal Regulations, 2010 CFR

2010-04-01

... carrier may accept an air freight manifest listing the article to be shipped by weight and destination as... who paid for the air transportation. (4) Any transportation of property by air shipped by the... beyond the control of the shipper (such as labor disputes or natural disasters) will not interrupt...

A Review of the Thermodynamic, Transport, and Chemical Reaction Rate Properties of High-temperature Air

NASA Technical Reports Server (NTRS)

Hansen, C Frederick; Heims, Steve P

1958-01-01

Thermodynamic and transport properties of high temperature air, and the reaction rates for the important chemical processes which occur in air, are reviewed. Semiempirical, analytic expressions are presented for thermodynamic and transport properties of air. Examples are given illustrating the use of these properties to evaluate (1) equilibrium conditions following shock waves, (2) stagnation region heat flux to a blunt high-speed body, and (3) some chemical relaxation lengths in stagnation region flow.

Effect of Silver Doping on Transport Properties of Bi2Se3: AgxBi2Se3 and Bi2-xAgxSe3

NASA Astrophysics Data System (ADS)

Zhang, Min; Wei, Zhan-Tao

2018-05-01

Ag-doped Bi2Se3 with the formula AgxBi2Se3 and Bi2-xAgxSe3 were prepared and their electrical and magnetic transport properties have been investigated to study the influence of silver doping on transport properties of Bi2Se3 with different Ag-doped method. All samples exhibited metallic resistivity and the resistivity increased with increasing Ag concentration. The lattice parameter c of Ag-substituted and Ag-intercalated samples displays a contrary change as the Ag concentration increased. For the Ag-intercalated samples, both the resistance upturn were observed in the curves of temperature dependent of resistivity and temperature dependent of magnetoresistance, respectively, indicating that the enhanced surface effect was obtained in those samples. Monotonously, field-induced MR peaks around 200 K were also observed in those samples. Similar behaviors were not observed in the Ag-substituted samples.

Theoretical insights into the effect of a conjugated core on the hole transport properties of hole-transporting materials for perovskite solar cells.

PubMed

Zhang, Zemin; Hu, Weixia; Cui, Jianyu; He, Rongxing; Shen, Wei; Li, Ming

2017-09-20

Conjugated bifluorenylidene and naphthalene central cores are introduced into hole-transporting materials DT1 and DT2 to replace the spiro-core of the reported, highly efficient FDT. The effects of the conjugated core on the geometrics, electronic properties and hole transport properties are investigated by using density functional theory coupled with Marcus theory and the Einstein relation. The calculated results show that DT1 (-5.21 eV) and DT2 (-5.23 eV) have lower HOMO levels than FDT (-5.15 eV), which indicates that the perovskite solar cells with conjugated hole-transporting materials can have higher open-circuit voltages. The introduction of the conjugated core is beneficial to the more efficient face-to-face packing pattern of the dimer, resulting in a larger intermolecular electronic coupling. Importantly, it is found that DT1 (1.6 × 10 -3 cm 2 V -1 s -1 ) and DT2 (2.7 × 10 -2 cm 2 V -1 s -1 ) exhibit relatively higher hole mobilities than FDT (1.3 × 10 -4 cm 2 V -1 s -1 ) owing to the larger electronic coupling. Therefore, enhanced hole transport ability can be achieved by switching from the spiro-core to the conjugated core. The present work provides a new strategy to improve the hole transport properties of hole-transporting materials, which will contribute to the development of conjugated small molecules as hole-transporting materials in efficient perovskite solar cells.

Thermal transport and thermoelectric properties of beta-graphyne nanostructures.

PubMed

Ouyang, Tao; Hu, Ming

2014-06-20

Graphyne, an allotrope of graphene, is currently a hot topic in the carbon-based nanomaterials research community. Taking beta-graphyne as an example, we performed a comprehensive study of thermal transport and related thermoelectric properties by means of nonequilibrium Green's function (NEGF). Our simulation demonstrated that thermal conductance of beta-graphyne is only approximately 26% of that of the graphene counterpart and also shows evident anisotropy. Meanwhile, thermal conductance of armchair beta-graphyne nanoribbons (A-BGYNRs) presents abnormal stepwise width dependence. As for the thermoelectric property, we found that zigzag beta-graphyne nanoribbons (Z-BGYNRs) possess superior thermoelectric performance with figure of merit value achieving 0.5 at room temperature, as compared with graphene nanoribbons (~0.05). Aiming at obtaining a better thermoelectric coefficient, we also investigated Z-BGYNRs with geometric modulations. The results show that the thermoelectric performance can be enhanced dramatically (figure of merit exceeding 1.5 at room temperature), and such enhancement strongly depends on the width of the nanoribbons and location and quantity of geometric modulation. Our findings shed light on transport properties of beta-graphyne as high efficiency thermoelectrics. We anticipate that our simulation results could offer useful guidance for the design and fabrication of future thermoelectric devices.

Emissions and transport of NOx over East Asia diagnosed by satellite and in-situ observations and chemical transport model results

NASA Astrophysics Data System (ADS)

Lee, H.; Kim, S.; Brioude, J.; Cooper, O. R.; Frost, G. J.; Trainer, M.; Kim, C.

2012-12-01

Nitrogen dioxide (NO2) columns observed from space have been useful in detecting the increase of NOx emissions over East Asia in accordance with rapid growth in its economy. In addition to emissions, transport can be an important factor to determine the observed satellite NO2 columns in this region. Satellite tropospheric NO2 columns showed maximum in winter and minimum in summer over the high emission areas in China, as lifetime of NO2 decreases with increase of sunlight. However, secondary peaks in the satellite NO2 columns were found in spring in both Korea and Japan, which may be influenced by transport of NOx within East Asia. Surface in-situ observations confirm the findings from the satellite measurements. The large-scale distribution of satellite NO2 columns over East Asia and the Pacific Ocean showed that the locations of NO2 column maxima coincided with wind convergence zones that change with seasons. In spring, the convergence zone is located over 30-40°N, leading to the most efficient transport of the emissions from southern China to downwind areas including Korea, Japan, and western coastal regions of the United States. We employed a Lagrangian particle dispersion model to identify the sources of the observed springtime maximum NO2. In order to understand chemical processing during the transport and quantify the roles of emissions and transport in local NOx budgets, we will also present the results from a regional chemical transport model.

Thermographic observation of heat transport in solid foams

NASA Astrophysics Data System (ADS)

Netzelmann, U.; Abuhamad, M.; Walle, G.

2005-06-01

Heat transport in solid foams was studied by flash lamp heated dynamic thermography. For polyurethane foams, a movement of the peak temperature from the heated surface into the depth could be observed. This could be modelled by assuming a Beer optical absorber with non-adiabatic boundary. For large open pores, individual temperature-time curves were observed in the thermographic image. There is evidence for non-conductive heat transfer in the bulk of mixed-cell foams. In SiSiC ceramic foams, indications for sub-surface defects were detected.

Structural and transport properties of Yb substituted YBaCo4O7

NASA Astrophysics Data System (ADS)

Singh, Bharat; Kumar, Naresh; Gaur, N. K.; Rayaprol, S.

2012-06-01

We investigate a series of compounds of the type, Y1-xYbxBaCo4O7, to study the effect of chemical pressure on the structural and electrical transport properties of a geometrically frustrated cobaltite, YBaCo4O7. Rietveld analysis of XRD data were carried out for all the samples studied. The four probe resistivity measurements were carried out to understand the transport mechanism in these compounds at temperatures below room temperatures. These results are presented and discussed in the context of ongoing efforts in studying geometrically frustrated magnetic compounds with novel physical properties.

Hierarchical and Well-Ordered Porous Copper for Liquid Transport Properties Control.

PubMed

Pham, Quang N; Shao, Bowen; Kim, Yongsung; Won, Yoonjin

2018-05-09

Liquid delivery through interconnected pore network is essential for various interfacial transport applications ranging from energy storage to evaporative cooling. The liquid transport performance in porous media can be significantly improved through the use of hierarchical morphology that leverages transport phenomena at different length scales. Traditional surface engineering techniques using chemical or thermal reactions often show nonuniform surface nanostructuring within three-dimensional pore network due to uncontrollable diffusion and reactivity in geometrically complex porous structures. Here, we demonstrate hierarchical architectures on the basis of crystalline copper inverse opals using an electrochemistry approach, which offers volumetric controllability of structural and surface properties within the complex porous metal. The electrochemical process sequentially combines subtractive and additive steps-electrochemical polishing and electrochemical oxidation-to improve surface wetting properties without sacrificing structural permeability. We report the transport performance of the hierarchical inverse opals by measuring the capillary-driven liquid rise. The capillary performance parameter of hierarchically engineered inverse opal ( K/ R eff = ∼5 × 10 -3 μm) is shown to be higher than that of a typical crystalline inverse opal ( K/ R eff = ∼1 × 10 -3 μm) owing to the enhancement in fluid permeable and hydrophilic pathways. The new surface engineering method presented in this work provides a rational approach in designing hierarchical porous copper for transport performance enhancements.

Characterizing the Asian Tropopause Aerosol Layer (ATAL) Using Satellite Observations, Balloon Measurements and a Chemical Transport Model

NASA Technical Reports Server (NTRS)

Fairlie, T. D.; Vernier, J.-P.; Liu, H.; Deshler, T.; Natarajan, M.; Bedka, K.; Wegner, T.; Baker, N.; Gadhavi, H.; Ratnam, M. V.;

Quantitative observation of tracer transport with high-resolution PET

NASA Astrophysics Data System (ADS)

Kulenkampff, Johannes; Gruendig, Marion; Zakhnini, Abdelhamid; Lippmann-Pipke, Johanna

2016-04-01

Transport processes in natural porous media are typically heterogeneous over various scales. This heterogeneity is caused by the complexity of pore geometry and molecular processes. Heterogeneous processes, like diffusive transport, conservative advective transport, mixing and reactive transport, can be observed and quantified with quantitative tomography of tracer transport patterns. Positron Emission Tomography (PET) is by far the most sensitive method and perfectly selective for positron-emitting radiotracers, therefore it is suited as reference method for spatiotemporal tracer transport observations. The number of such PET-applications is steadily increasing. However, many applications are afflicted by the low spatial resolution (3 - 5 mm) of the clinical scanners from cooperating nuclear medical departments. This resolution is low in relation to typical sample dimensions of 10 cm, which are restricted by the mass attenuation of the material. In contrast, our GeoPET-method applies a high-resolution scanner with a resolution of 1 mm, which is the physical limit of the method and which is more appropriate for samples of the size of soil columns or drill cores. This higher resolution is achieved at the cost of a more elaborate image reconstruction procedure, especially considering the effects of Compton scatter. The result of the quantitative image reconstruction procedure is a suite of frames of the quantitative tracer distribution with adjustable frame rates from minutes to months. The voxel size has to be considered as reference volume of the tracer concentration. This continuous variable includes contributions from structures far below the spatial resolution, as far as a detection threshold, in the pico-molar range, is exceeded. Examples from a period of almost 10 years (Kulenkampff et al. 2008a, Kulenkampff et al. 2008b) of development and application of quantitative GeoPET-process tomography are shown. These examples include different transport processes

Transport Properties of La- doped SrTiO3 Ceramics Prepared Using Spark Plasma Sintering

NASA Astrophysics Data System (ADS)

Mehdizadeh Dehkordi, Arash; Bhattacharya, Sriparna; Tritt, Terry M.; Alshareef, Husam N.

2012-02-01

In this work, thermoelectric transport properties of La-doped SrTiO3 ceramics prepared using conventional solid state reaction and spark plasma sintering have been investigated. Room temperature power factor of single crystal strontium titanate (SrTiO3), comparable to that of Bi2Te3, has brought new attention to this perovskite-type transition metal-oxide as a potential n-type thermoelectric for high temperature applications. Electronic properties of this model complex oxide, SrTiO3 (ABO3), can be tuned in a wide range through different doping mechanisms. In addition to A site (La-doped) or B site (Nb-doped) substitutional doping, introducing oxygen vacancies plays an important role in electrical and thermal properties of these structures. Having multiple doping mechanisms makes the transport properties of these perovskites more dependent on preparation parameters. The effect of these synthesis parameters and consolidation conditions on the transport properties of these materials has been studied.

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

PubMed

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.

Structural, transport and elastic properties of LaTiO3

NASA Astrophysics Data System (ADS)

Choithrani, Renu; Bhat, Masroor Ahmad; Gaur, N. K.

2013-02-01

The thermophysical properties such as structural, transport and elastic properties of the orthorhombic perovskite-type titanate system, LaTiO3 have been explored in detail for the first time by applying extended rigid ion model (ERIM). LaTiO3 has been subject of recent interest because of the variety of attractive behaviors, including a metal-insulator transition, spin-charge-orbital ordering and high-temperature superconductivity. LaTiO3 has been suggested to have promising scientific and technological applications. The theoretically computed thermophysical properties of LaTiO3 compound are in good agreement with the available results.

Thermodynamic and transport properties of YbNi 4Cd

NASA Astrophysics Data System (ADS)

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.

Observed Properties of Giant Cells

NASA Technical Reports Server (NTRS)

Hathaway, David H.; Upton, Lisa; Colegrove, Owen

2014-01-01

The existence of Giant Cells has been suggested by both theory and observation for over 45 years. We have tracked the motions of supergranules in SDO/HMI Doppler velocity data and find larger (Giant Cell) flows that persist for months. The flows in these cells are clockwise around centers of divergence in the north and counter-clockwise in the south. Equatorward flows are correlated with prograde flows - giving the transport of angular momentum toward the equator that is needed to maintain the Sun's rapid equatorial rotation. The cells are most pronounced at mid- and high-latitudes where they exhibit the rotation rates representative of those latitudes. These are clearly large, long-lived, cellular features, with the dynamical characteristics expected from the effects of the Sun's rotation, but the shapes of the cells are not well represented in numerical models. While the Giant Cell flow velocities are small (<10 m/s), their long lifetimes should nonetheless substantially impact the transport of magnetic flux in the Sun's near surface layers.

On the hydrogen-bond network and the non-Arrhenius transport properties of water

NASA Astrophysics Data System (ADS)

Galamba, N.

2017-01-01

We study the structural and dynamic transformations of SPC/E water with temperature, through molecular dynamics (MD), and discuss the non-Arrhenius behavior of the transport properties and orientational dynamics, and the magnitude of the breakdown of the Stokes-Einstein (SE) and the Stokes-Einstein-Debye (SED) relations, in the light of these transformations. Our results show that deviations from Arrhenius behavior of the self-diffusion at low temperatures cannot be exclusively explained by the reduction of water defects (interstitial waters) and the increase of the local tetrahedrality, thus, suggesting the importance of the slowdown of collective rearrangements. Interestingly we find that at high temperatures (T  ⩾  340 K) water defects lead to a slight increase of the tetrahedrality and a decrease of the self-diffusion, opposite to water at low temperatures. The relative magnitude of the breakdown of the SE and the SED relations is found to be in accord with recent experiments (Dehaoui et al 2015 Proc. Natl Acad. Sci. USA 112 12020) resolving the discrepancy with previous MD results. Further, we show that SPC/E hydrogen-bond (HB) lifetimes deviate from Arrhenious behaviour at low temperatures in contrast with some previous MD studies. This deviation is nevertheless much smaller than that observed for the orientational dynamics and the transport properties of water, consistent with the relaxation times measured by several experimental methods. The HB acceptor exchange dynamics defined here by the acceptor switch and reform (librational dynamics) frequencies exhibit similar Arrhenius deviations, thus explaining to some extent the non-Arrhenius behavior of the transport properties and of the orientational dynamics of water. Our results also show that the fraction of HB switches through a bifurcated pathway follow a power law with the temperature decrease. Thus, at low temperatures HB acceptor switches are less frequent but occur on a faster time scale

On the hydrogen-bond network and the non-Arrhenius transport properties of water.

PubMed

Galamba, N

2017-01-11

We study the structural and dynamic transformations of SPC/E water with temperature, through molecular dynamics (MD), and discuss the non-Arrhenius behavior of the transport properties and orientational dynamics, and the magnitude of the breakdown of the Stokes-Einstein (SE) and the Stokes-Einstein-Debye (SED) relations, in the light of these transformations. Our results show that deviations from Arrhenius behavior of the self-diffusion at low temperatures cannot be exclusively explained by the reduction of water defects (interstitial waters) and the increase of the local tetrahedrality, thus, suggesting the importance of the slowdown of collective rearrangements. Interestingly we find that at high temperatures (T  ⩾  340 K) water defects lead to a slight increase of the tetrahedrality and a decrease of the self-diffusion, opposite to water at low temperatures. The relative magnitude of the breakdown of the SE and the SED relations is found to be in accord with recent experiments (Dehaoui et al 2015 Proc. Natl Acad. Sci. USA 112 12020) resolving the discrepancy with previous MD results. Further, we show that SPC/E hydrogen-bond (HB) lifetimes deviate from Arrhenious behaviour at low temperatures in contrast with some previous MD studies. This deviation is nevertheless much smaller than that observed for the orientational dynamics and the transport properties of water, consistent with the relaxation times measured by several experimental methods. The HB acceptor exchange dynamics defined here by the acceptor switch and reform (librational dynamics) frequencies exhibit similar Arrhenius deviations, thus explaining to some extent the non-Arrhenius behavior of the transport properties and of the orientational dynamics of water. Our results also show that the fraction of HB switches through a bifurcated pathway follow a power law with the temperature decrease. Thus, at low temperatures HB acceptor switches are less frequent but occur on a faster time scale

Wave-packet approach to transport properties of carrier coupled with intermolecular and intramolecular vibrations of organic semiconductors

NASA Astrophysics Data System (ADS)

Ishii, Hiroyuki; Honma, Keisuke; Kobayashi, Nobuhiko; Hirose, Kenji

2012-06-01

We present a methodology to study the charge-transport properties of organic semiconductors by the time-dependent wave-packet diffusion method, taking the polaron effects into account. As an example, we investigate the transport properties of single-crystal pentacene organic semiconductors coupled with inter- and intramolecular vibrations within the mixed Holstein and Peierls model, which describes both hopping and bandlike transport behaviors due to small and large polaron formations. Taking into account static disorders, which inevitably exist in the molecular crystals, we present the temperature dependence of charge-transport properties in competition among the thermal fluctuation of molecular motions, the polaron formation, and the static disorders.

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

NASA Astrophysics Data System (ADS)

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

Middle Atmospheric Transport Properties of Assimilated Datasets

NASA Technical Reports Server (NTRS)

Pawson, Steven; Rood, Richard

1999-01-01

One of the most compelling reasons for performing data assimilation in the middle atmosphere is to obtain global, balanced datasets for studies of trace gas transport and chemistry. This is a major motivation behind the Goddard Earth observation System-Data Assimilation System (GEOS-DAS). Previous studies have shown that while this and other data assimilation systems can generally obtain good estimates of the extratropical rotational velocity field, the divergent part of the dynamical field is deficient; this impacts the "residual circulation" and leads to spurious trace gas transport on seasonal and interannual timescales. These problems are impacted by the quality and the method of use of the observational data and by deficiencies in the atmospheric general circulation model. Whichever the cause at any place and time, the "solution" is to introduce non-physical forcing terms into the system (the so-called incremental analysis updates); these can directly (thermal) or indirectly (mechanical) affect the residual circulation. This paper will illustrate how the divergent circulation is affected by deficiencies in both observations and models. Theoretical considerations will be illustrated with examples from the GEOS-DAS and from simplified numerical experiments. These are designed to isolate known problems, such as the inability of models to sustain a quasi-biennial oscillation and sparse observational constraints on tropical dynamics, or radiative inconsistencies in the presence of volcanic aerosols.

Middle Atmosphere Transport Properties of Assimilated Datasets

NASA Technical Reports Server (NTRS)

Pawson, Steven; Rood, Richard

1999-01-01

One of the most compelling reasons for performing data assimilation in the middle atmosphere is to obtain global, balanced datasets for studies of trace gas transport and chemistry. This is a major motivation behind the Goddard Earth observation System-Data Assimilation System (GEOS-DAS). Previous studies have shown that while this and other data assimilation systems can generally obtain good estimates of the extratropical rotational velocity field, the divergent part of the dynamical field is deficient; this impacts the "residual circulation" and leads to spurious trace gas transport on seasonal and interannual timescales. These problems are impacted by the quality and the method of use of the observational data and by deficiencies in the atmospheric general circulation model. Whichever the cause at any place and time, the "solution" is to introduce non-physical forcing terms into the system (the so-called incremental analysis updates); these can directly (thermal) or indirectly (mechanical) affect the residual circulation. This paper will illustrate how the divergent circulation is affected by deficiencies in both observations and models. Theoretical considerations will be illustrated with examples from the GEOS-DAS and from simplified numerical experiments. These are designed to isolate known problems, such as the inability of models to sustain a quasi-biennial oscillation and sparse observational constraints on tropical dynamics, or radiative inconsistencies in the presence of volcanic aerosols.

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

NASA Astrophysics Data System (ADS)

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.

Influence of Thickness on the Electrical Transport Properties of Exfoliated Bi2Te3 Ultrathin Films

NASA Astrophysics Data System (ADS)

Mo, D. L.; Wang, W. B.; Cai, Q.

2016-08-01

In this work, the mechanical exfoliation method has been utilized to fabricate Bi2Te3 ultrathin films. The thickness of the ultrathin films is revealed to be several tens of nanometers. Weak antilocalization effects and Shubnikov de Haas oscillations have been observed in the magneto-transport measurements on individual films with different thickness, and the two-dimensional surface conduction plays a dominant role. The Fermi level is found to be 81 meV above the Dirac point, and the carrier mobility can reach ~6030 cm2/(Vs) for the 10-nm film. When the film thickness decreases from 30 to 10 nm, the Fermi level will move 8 meV far from the bulk valence band. The coefficient α in the Hikami-Larkin-Nagaoka equation is shown to be ~0.5, manifesting that only the bottom surface of the Bi2Te3 ultrathin films takes part in transport conductions. These will pave the way for understanding thoroughly the surface transport properties of topological insulators.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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 alsomore » 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}.« less

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

NASA Technical Reports Server (NTRS)

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.

Hopping Conduction and Bacteria: Transport Properties of Disordered Reaction-Diffusion Systems

NASA Astrophysics Data System (ADS)

Missel, Andrew; Dahmen, Karin

2008-03-01

Reaction-diffusion (RD) systems are used to model everything from the formation of animal coat patterns to the spread of genes in a population to the seasonal variation of plankton density in the ocean. In all of these problems, disorder plays a large role, but determining its effects on transport properties in RD systems has been a challenge. We present here both analytical and numerical studies of a particular disordered RD system consisting of particles which are allowed to diffuse and compete for resources (2A->A) with spatially homogeneous rates, reproduce (A->2A) in certain areas (``oases''), and die (A->0) everywhere else (the ``desert''). In the low oasis density regime, transport is mediated through rare ``hopping events'' in which a small number of particles diffuse through the desert from one oasis to another; the situation is mathematically analogous to hopping conduction in doped semiconductors, and this analogy, along with some ideas from first passage percolation theory, allows us to make some quantitative predictions about the transport properties of the system on a large scale.

Electrical and optical transport properties of single layer WSe2

NASA Astrophysics Data System (ADS)

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.

Alginate-cellulose sulphate-oligocation microcapsules: optimization of mass transport and mechanical properties.

PubMed

Schuldt, U; Hunkeler, D

2007-02-01

Microcapsules based on polyelectrolyte complexation, where the inner phase involves a blend of alginate and sodium cellulose sulphate (SCS), have mechanical and transport properties which are relatively insensitive to the chemical composition of the rigid polyanion. Specifically, the bursting force of 400- and 1000 microm microcapsules increase slightly with the degree of substitution of the SCS, though the molar mass of the SCS appears to influence the transport properties more strongly than its composition. The concentration of the sodium chloride in the gelling batch can be varied rather extensively, with optimum properties at approximately half (i.e. 0.5 M) the level typically employed for the formation of cell-containing microcapsules. This indicates that the microcapsule properties can be tuned for biocompatability, without concern that changes to the polymer microstructure or reaction process conditions would adversely influence the bursting force or molar mass cut-off of the capsules. The alginate-SCS blend, which is typical equimass, can be slightly increased in favour of the SCS (to 55 wt%) if one seeks to mechanically optimize the system. The substitution of the oligocation polymethylene-co-guanidine with pDADMAC seems strongly undesirable. Similarly, the replacement of SCS with sulphoethylcellulose, while possible, offers no important advantages. The overall optimum conditions appear to be for a SCS with a DS of 2, prepared at 1.2 wt% of total cation with alginate. The ideal ratio, for mechanical and transport properties, of SCS to alginate is 55:45 (wt:wt), which represents a subtle modification from the classical formulation with very good biocompatability.

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

PubMed

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.

Tribological properties of epoxy composite materials for marine and river transport

NASA Astrophysics Data System (ADS)

Buketov, A. V.; Maruschak, P. O.; Brailo, N. V.; Akimov, A. V.; Kobelnik, O. S.; Panin, S. V.

2016-11-01

Tribological properties of epoxy composites filled with thermoplastics and dispersed particles under sea water environment were analyzed. It has been revealed that the composition, sliding friction conditions, as well as the marine environment, substantially affect the tribological properties of the materials. The improvement of tribological properties of epoxycomposite thermosetting plastics after their filling with thermoplastic polyamide PA-6 granules under friction in sea water environment has been proved. The recommendations on applying the developed material in friction parts for marine and river transport were formulated.

FORTRAN 4 computer program for calculation of thermodynamic and transport properties of complex chemical systems

NASA Technical Reports Server (NTRS)

Svehla, R. A.; Mcbride, B. J.

1973-01-01

A FORTRAN IV computer program for the calculation of the thermodynamic and transport properties of complex mixtures is described. The program has the capability of performing calculations such as:(1) chemical equilibrium for assigned thermodynamic states, (2) theoretical rocket performance for both equilibrium and frozen compositions during expansion, (3) incident and reflected shock properties, and (4) Chapman-Jouguet detonation properties. Condensed species, as well as gaseous species, are considered in the thermodynamic calculation; but only the gaseous species are considered in the transport calculations.

Guanine-based amphiphiles: synthesis, ion transport properties and biological activity.

PubMed

Musumeci, Domenica; Irace, Carlo; Santamaria, Rita; Milano, Domenico; Tecilla, Paolo; Montesarchio, Daniela

2015-03-01

Novel amphiphilic guanine derivatives, here named Gua1 and Gua2, have been prepared through few, simple and efficient synthetic steps. In ion transport experiments through phospholipid bilayers, carried out to evaluate their ability to mediate H(+) transport, Gua2 showed high activity. When this compound was investigated for ion-selective transport activities, no major differences were observed in the behaviour with cations while, in the case of anions, selective activity was observed in the series I(-)>Br(-)>Cl(-)>F(-). The bioactivity of these guanine analogues has been evaluated on a panel of human tumour and non-tumour cell lines in preliminary in vitro cytotoxicity assays, showing a relevant antiproliferative profile for Gua2. Copyright © 2014 Elsevier Ltd. All rights reserved.

High-density carbon nanotube buckypapers with superior transport and mechanical properties.

PubMed

Zhang, Ling; Zhang, Guang; Liu, Changhong; Fan, Shoushan

2012-09-12

High-density buckypapers were obtained by using well-aligned carbon nanotube arrays. The density of the buckypapers was as high as 1.39 g cm(-3), which is close to the ultimate density of ideal buckypapers. Then we measured the transport and mechanical properties of the buckypapers. Our results demonstrated that its electrical and thermal conductivities could be almost linearly improved by increasing its density. In particular, its superior thermal conductivity is nearly twice that of common metals, which enables it a lightweight and more efficient heat-transfer materials. The Young's modulus of the buckypapers could reach a magnitude over 2 GPa, which is greatly improved compared with previous reported results. In view of this, our work provided a simple and convenient method to prepare high-density buckypapers with excellent transport and mechanical properties.

Magneto-transport properties of proposed triply degenerate topological semimetal Pd3Bi2S2

NASA Astrophysics Data System (ADS)

Roy, Shubhankar; Pariari, Arnab; Singha, Ratnadwip; Satpati, Biswarup; Mandal, Prabhat

2018-04-01

We report transport properties of single-crystalline Pd3Bi2S2, which has been predicted to host an unconventional electronic phase of matter beyond three-dimensional Dirac and Weyl semimetals. Similar to several topological systems, the resistivity shows field-induced metal to semiconductor-like crossover at low temperature. Large, anisotropic, and non-saturating magnetoresistance has been observed in the transverse experimental configuration. At 2 K and 9 T, the MR value reaches as high as ˜1.1 × 103%. Hall resistivity reveals the presence of two types of charge carriers and has been analyzed using the two-band model. In spite of the large density (>1021 cm-3), the mobility of charge carriers is found to be quite high (˜ 0.75 × 104 cm2 V-1 s-1 for the hole and ˜ 0.3 × 104 cm2 V-1 s-1 for the electron). The observed magneto-electrical properties indicate that Pd3Bi2S2 may be a new member of the topological semimetal family, which can have a significant impact in technological applications.

The spin-dependent electronic transport properties of M(dcdmp)2 (M = Cu, Au, Co, Ni) molecular devices based on zigzag graphene nanoribbon electrodes

NASA Astrophysics Data System (ADS)

Li, Dongde; Wu, Di; Zhang, Xiaojiao; Zeng, Bowen; Li, Mingjun; Duan, Haiming; Yang, Bingchu; Long, Mengqiu

2018-05-01

The spin-dependent electronic transport properties of M(dcdmp)2 (M = Cu, Au, Co, Ni; dcdmp = 2,3-dicyano-5,6-dimercaptopyrazyne) molecular devices based on zigzag graphene nanoribbon (ZGNR) electrodes were investigated by density functional theory combined nonequilibrium Green's function method (DFT-NEGF). Our results show that the spin-dependent transport properties of the M(dcdmp)2 molecular devices can be controlled by the spin configurations of the ZGNR electrodes, and the central 3d-transition metal atom can introduce a larger magnetism than that of the nonferrous metal one. Moreover, the perfect spin filtering effect, negative differential resistance, rectifying effect and magnetic resistance phenomena can be observed in our proposed M(dcdmp)2 molecular devices.

Measuring the electronic transport properties of individual nano-objects under high pressures

NASA Astrophysics Data System (ADS)

Caillier, C.; Ayari, A.; Le Floch, S.; Féret, H.; Guiraud, G.; San-Miguel, A.

2011-09-01

We describe a setup to carry out electronic transport measurements under high pressures on individual nano-objects. It is based on a home-automated three-stage gas compressor working with argon or helium up to 1 GPa. The setup was successfully tested on contacted individual nanotubes, for which we evidence strong evolutions of the transport properties. These evolutions are related to fundamental issues such as the modification of the nano-object contact resistance, the pressure-induced modification of the nano-object geometry or pressure-induced changes in the intrinsic electronic properties of the nanosystem. A cryostat has also been adapted to the pressure cell, allowing combined pressure and temperature experiments down to 12 K.

Possible role of IL-6 and TIE2 gene polymorphisms in predicting the initial high transport status in patients with peritoneal dialysis: an observational study.

PubMed

Ding, Li; Shao, Xinghua; Cao, Liou; Fang, Wei; Yan, Hao; Huang, Jiaying; Gu, Aiping; Yu, Zanzhe; Qi, Chaojun; Chang, Xinbei; Ni, Zhaohui

2016-10-26

The aim of this study was to investigate the effect of interleukin (IL)-6 and TIE2 gene polymorphisms on baseline peritoneal transport property. An observational study. Renji Hospital in Shanghai, China. This study included 220 patients with continuous ambulatory peritoneal dialysis (PD). Patients were divided into 2 groups based on the results of an initial peritoneal equilibration test performed within 3 months of starting PD therapy: group 1 consisted of low/low average transporters (n=123), and group 2 consisted of high/high average transporters (n=97). We genotyped TIE2 and IL-6 polymorphisms and analysed their effects on baseline transport status. The genotype AT in IL-6 Rs13306435 and the genotype CC in TIE2 Rs639225 were both negatively associated with a higher initial peritoneal transport status (IL-6 Rs13306435: OR=0.408, 95% CI 0.227 to 0.736; TIE2 Rs639225: OR=0.188, 95% CI 0.044 to 0.806). IL-6 and TIE2 polymorphisms are associated with baseline peritoneal transport property. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.

Comparison of transport properties models for numerical simulations of Mars entry vehicles

NASA Astrophysics Data System (ADS)

Hao, Jiaao; Wang, Jingying; Gao, Zhenxun; Jiang, Chongwen; Lee, Chunhian

2017-01-01

Effects of two different models for transport properties, including the approximate model and the collision integral model, on hypersonic flow simulations of Mars entry vehicles are numerically investigated. A least square fitting is firstly performed using the best-available data of collision integrals for Martian atmosphere species within the temperature range of 300-20,000 K. Then, the performance of these two transport properties models are compared for an equilibrium Martian atmosphere gas mixture at 10 kPa and temperatures ranging from 1000 to 10,000 K. Finally, four flight conditions chosen from the trajectory of the Mars Pathfinder entry vehicle are numerically simulated. It is indicated that the approximate model is capable of accurately providing the distributions of species mass fractions and temperatures in the flowfield. Both models give similar translational-rotational and vibrational heat fluxes. However, the chemical diffusion heat fluxes predicted by the approximate model are significantly larger than the results computed by the collision integral model, particularly in the vicinity of the forebody stagnation point, whose maximum relative error of 15% for the super-catalytic case. The diffusion model employed in the approximate model is responsible to the discrepancy. In addition, the wake structure is largely unaffected by the transport properties models.

Counter anion effect on structural, opto-electronic and charge transport properties of fused π-conjugated imidazolium compound

NASA Astrophysics Data System (ADS)

Vinodha, M.; Senthilkumar, K.

2018-05-01

The structure-activity relationship of fused π-conjugated imidazolium cation with three counter anion molecules, BF4-, CF3SO3- and (CF3SO2)2N-, was studied using electronic structure calculations. The structural, opto-electronic and charge transport properties of these complexes were studied. The charge transfer from π-conjugated imidazolium(I) to counter anion was confirmed in all the studied complexes. Interaction energy varies significantly depending on the counter anion and the stability was found higher for I-BF4 complex than both I-CF3SO3 and I-(CF3SO2)2N complexes. The strong (C-H)+...F- hydrogen bond of length 1.95 Å between fused π-conjugated imidazolium and BF-4 anion is the driving force for the strongest interaction energy in I-BF4 complex. The energy decomposition analysis confirms that the interaction between imidazolium and counter anion is mainly driven by electrostatic and orbital interaction. It has been observed that the absorption spectra of the complex are independent of anion nature but the influence of anion character is observed on frontier molecular orbital pattern. The charge transport property of I-BF4 complex was studied by using tight-binding Hamiltonian approach and found that the hole mobility in I-BF4 is 1.13 × 10-4 cm2 V-1 s-1.

Coefficients for calculating thermodynamic and transport properties of individual species

NASA Technical Reports Server (NTRS)

Mcbride, Bonnie J.; Gordon, Sanford; Reno, Martin A.

1993-01-01

Libraries of thermodynamic data and transport properties are given for individual species in the form of least-squares coefficients. Values of C(sup 0)(sub p)(T), H(sup 0)(T), and S(sup 0)(T) are available for 1130 solid, liquid, and gaseous species. Viscosity and thermal conductivity data are given for 155 gases. The original C(sup 0)(sub p)(T) values were fit to a fourth-order polynomial with integration constants for H(sup 0)(T) and S(sup 0)(T). For each species the integration constant for H(sup 0)(T) includes the heat of formation. Transport properties have a different functional form. The temperature range for most of the data is 300 to 5000 K, although some of the newer thermodynamic data have a range of 200 to 6000 K. Because the species are mainly possible products of reaction, the data are useful for chemical equilibrium and kinetics computer codes. Much of the data has been distributed for several years with the NASA Lewis equilibrium program CET89. The thermodynamic properties of the reference elements were updated along with about 175 species that involve the elements carbon, hydrogen, oxygen, and nitrogen. These sets of data will be distributed with the NASA Lewis personal computer program for calculating chemical equilibria, CETPC.

The Effect of Microstructure On Transport Properties of Porous Electrodes

NASA Astrophysics Data System (ADS)

Peterson, Serena W.

The goal of this work is to further understand the relationships between porous electrode microstructure and mass transport properties. This understanding allows us to predict and improve cell performance from fundamental principles. The investigated battery systems are the widely used rechargeable Li-ion battery and the non-rechargeable alkaline battery. This work includes three main contributions in the battery field listed below. Direct Measurement of Effective Electronic Transport in Porous Li-ion Electrodes. An accurate assessment of the electronic conductivity of electrodes is necessary for understanding and optimizing battery performance. The bulk electronic conductivity of porous LiCoO2-based cathodes was measured as a function of porosity, pressure, carbon fraction, and the presence of an electrolyte. The measurements were performed by delamination of thin-film electrodes from their aluminum current collectors and by use of a four-line probe. Imaging and Correlating Microstructure To Conductivity. Transport properties of porous electrodes are strongly related to microstructure. An experimental 3D microstructure is needed not only for computation of direct transport properties, but also for a detailed electrode microstructure characterization. This work utilized X-ray tomography and focused ion beam (FIB)/scanning electron microscopy (SEM) to obtain the 3D structures of alkaline battery cathodes. FIB/SEM has the advantage of detecting carbon additives; thus, it was the main tomography tool employed. Additionally, protocols and techniques for acquiring, processing and segmenting series of FIB/SEM images were developed as part of this work. FIB/SEM images were also used to correlate electrodes' microstructure to their respective conductivities for both Li-ion and alkaline batteries. Electrode Microstructure Metrics and the 3D Stochastic Grid Model. A detailed characterization of microstructure was conducted in this work, including characterization of the

Irradiation response of commercial, high-Tc superconducting tapes: Electromagnetic transport properties

DOE PAGES

Gapud, A. A.; Greenwood, N. T.; Alexander, J. A.; ...

2015-07-01

Effects of low dose irradiation on the electrical transport current properties of commercially available high-temperature superconducting, coated-conductor tapes were investigated, in view of potential applications in the irradiative environment of fusion reactors. Three different tapes, each with unique as-grown flux-pinning structures, were irradiated with Au and Ni ions at energies that provide a range of damage effects, with accumulated damage levels near that expected for conductors in a fusion reactor environment. Measurements using transport current determined the pre- and post-irradiation resistivity, critical current density, and pinning force density, yielding critical temperatures, irreversibility lines, and inferred vortex creep rates. Results showmore » that at the irradiation damage levels tested, any detriment to as-grown pre-irradiation properties is modest; indeed in one case already-superior pinning forces are enhanced, leading to higher critical currents.« less

Transport, Structural and Mechanical Properties of Quaternary FeVTiAl Alloy

NASA Astrophysics Data System (ADS)

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.

First principles study of the structural, electronic, and transport properties of triarylamine-based nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Akande, Akinlolu, E-mail: akandea@tcd.ie; Bhattacharya, Sandip; Cathcart, Thomas

2014-02-21

We investigate with state of the art density functional theory the structural, electronic, and transport properties of a class of recently synthesized nanostructures based on triarylamine derivatives. First, we consider the single molecule precursors in the gas phase and calculate their static properties, namely (i) the geometrical structure of the neutral and cationic ions, (ii) the electronic structure of the frontier molecular orbitals, and (iii) the ionization potential, hole extraction potential, and internal reorganization energy. This initial study does not evidence any direct correlation between the properties of the individual molecules and their tendency to self-assembly. Subsequently, we investigate themore » charge transport characteristics of the triarylamine derivatives nanowires, by using Marcus theory. For one derivative we further construct an effective Hamiltonian including intermolecular vibrations and evaluate the mobility from the Kubo formula implemented with Monte Carlo sampling. These two methods, valid respectively in the sequential hopping and polaronic band limit, give us values for the room-temperature mobility in the range 0.1–12 cm{sup 2}/Vs. Such estimate confirms the superior transport properties of triarylamine-based nanowires, and make them an attracting materials platform for organic electronics.« less

Coupling between Transport and Injection Properties of Pentacene Field-Effect Transistors with Different Morphologies

NASA Astrophysics Data System (ADS)

Lee, Keanchuan; Weis, Martin; Taguchi, Dai; Manaka, Takaaki; Iwamoto, Mitsumasa

2013-08-01

We investigated the injection and transport properties of pentacene organic field-effect transistors (OFETs) with inclined and lamellar pentacene grains at various mutual ratios. Although the threshold voltage was conserved and no additional trapping on grain boundaries was suggested from the current-voltage measurements, the contact resistance and mobility increased linearly with the lamellar phase content. We showed that a model based on the coupling between both transport and injection properties via a space charge field caused by injected and trapped carriers accounts for these results.

Theory of Band Warping and its Effects on Thermoelectronic Transport Properties

NASA Astrophysics Data System (ADS)

Mecholsky, Nicholas; Resca, Lorenzo; Pegg, Ian; Fornari, Marco

2015-03-01

Transport properties of materials depend upon features of band structures near extrema in the BZ. Such features are generally described in terms of quadratic expansions and effective masses. Such expansions, however, are permissible only under strict conditions that are sometimes violated by materials. Suggestive terms such as ``band warping'' have been used to refer to such situations and ad hoc methods have been developed to treat them. We develop a generally applicable theory, based on radial expansions, and a corresponding definition of angular effective mass which also accounts for effects of band non-parabolicity and anisotropy. Further, we develop precise procedures to evaluate band warping quantitatively and as an example we analyze the warping features of valence bands in silicon using first-principles calculations and we compare those with semi-empirical models. We use our theory to generalize derivations of transport coefficients for cases of either single or multiple electronic bands, with either quadratically expansible or warped energy surfaces. We introduce the transport-equivalent ellipsoid and illustrate the drastic effects that band warping can induce on thermoelectric properties using multi-band models. Vitreous State Laboratory and Samsung's GRO program.

The electronic and transport properties of monolayer transition metal dichalcogenides: a complex band structure analysis

NASA Astrophysics Data System (ADS)

Szczesniak, Dominik

Recently, monolayer transition metal dichalcogenides have attracted much attention due to their potential use in both nano- and opto-electronics. In such applications, the electronic and transport properties of group-VIB transition metal dichalcogenides (MX2 , where M=Mo, W; X=S, Se, Te) are particularly important. Herein, new insight into these properties is presented by studying the complex band structures (CBS's) of MX2 monolayers while accounting for spin-orbit coupling effects. By using the symmetry-based tight-binding model a nonlinear generalized eigenvalue problem for CBS's is obtained. An efficient method for solving such class of problems is presented and gives a complete set of physically relevant solutions. Next, these solutions are characterized and classified into propagating and evanescent states, where the latter states present not only monotonic but also oscillatory decay character. It is observed that some of the oscillatory evanescent states create characteristic complex loops at the direct band gaps, which describe the tunneling currents in the MX2 materials. The importance of CBS's and tunneling currents is demonstrated by the analysis of the quantum transport across MX2 monolayers within phase field matching theory. Present work has been prepared within the Qatar Energy and Environment Research Institute (QEERI) grand challenge ATHLOC project (Project No. QEERI- GC-3008).

Bacterial transport in heterogeneous porous media: Observations from laboratory experiments

NASA Astrophysics Data System (ADS)

Silliman, S. E.; Dunlap, R.; Fletcher, M.; Schneegurt, M. A.

2001-11-01

Transport of bacteria through heterogeneous porous media was investigated in small-scale columns packed with sand and in a tank designed to allow the hydraulic conductivity to vary as a two-dimensional, lognormally distributed, second-order stationary, exponentially correlated random field. The bacteria were Pseudomonas ftuorescens R8, a strain demonstrating appreciable attachment to surfaces, and strain Ml, a transposon mutant of strain R8 with reduced attachment ability. In bench top, sand-filled columns, transport was determined by measuring intensity of fluorescence of stained cells in the effluent or by measuring radiolabeled cells that were retained in the sand columns. Results demonstrated that strain Ml was transported more efficiently than strain R8 through columns packed with either a homogeneous silica sand or a more heterogeneous sand with iron oxide coatings. Two experiments conducted in the tank involved monitoring transport of bacteria to wells via sampling from wells and sample ports in the tank. Bacterial numbers were determined by direct plate count. At the end of the first experiment, the distribution of the bacteria in the sediment was determined by destructive sampling and plating. The two experiments produced bacterial breakthrough curves that were quite similar even though the similarity between the two porous media was limited to first- and second-order statistical moments. This result appears consistent with the concept of large-scale, average behavior such as has been observed for the transport of conservative chemical tracers. The transported bacteria arrived simultaneously with a conservative chemical tracer (although at significantly lower normalized concentration than the tracer). However, the bacterial breakthrough curves showed significant late time tailing. The concentrations of bacteria attached to the sediment surfaces showed considerably more spatial variation than did the concentrations of bacteria in the fluid phase. This

Dust Transport and Deposition Observed from the Terra-Moderate Image Spectrometer (MODIS) Space Observations

NASA Technical Reports Server (NTRS)

Kaufman, Y.

2004-01-01

Meteorological observations, in situ data and satellite images of dust episodes were used already in the 1970s to estimate that 100 tg of dust are transported from Africa over the Atlantic Ocean every year between June and August and deposited in the Atlantic Ocean and the Americas. Desert dust is a main source of nutrients to oceanic biota and the Amazon forest, but deteriorates air quality and caries pathogens as shown for Florida. Dust affects the Earth radiation budget, thus participating in climate change and feedback mechanisms. There is an urgent need for new tools for quantitative evaluation of the dust distribution, transport and deposition. The Terra spacecraft launched at the dawn of the last millennium provides first systematic well calibrated multispectral measurements from the MODIS instrument, for daily global analysis of aerosol. MODIS data are used here to distinguish dust from smoke and maritime aerosols and evaluate the African dust column concentration, transport and deposition. We found that 230 plus or minus 80 tg of dust are transported annually from Africa to the Atlantic Ocean, 30 tg return to Africa and Europe, 70 tg reach the Caribbean, 45 tg fertilize the Amazon Basin, 4 times as previous estimates thus explaining a paradox regarding the source of nutrition to the Amazon forest, and 120 plus or minus 40 tg are deposited in the Atlantic Ocean. The results are compared favorably with dust transport models for particle radius less than or equal to 12 microns. This study is a first example of quantitative use of MODIS aerosol for a geophysical study.

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

PubMed

Li, Mingze; Wang, Zhenhua; Yang, Liang; Pan, Desheng; Li, Da; Gao, Xuan P A; Zhang, Zhidong

2018-08-03

Controlling the growth direction (planar versus vertical) and surface-to-bulk ratio can lead to lots of unique properties for two-dimensional layered materials. We report a simple method to fabricate continuous films of vertical Bi 2 Se 3 nanoplates on Si substrate and investigate the quantum transport properties of such films. In contrast to (001) oriented planar Bi 2 Se 3 nanoplate film, vertical Bi 2 Se 3 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 Bi 2 Se 3 nanoplates, we realized an effective tuning of the weak antilocalization effect from topological surface states in Bi 2 Se 3 films. Our work paves a way for exploring the unique transport properties of this unconventional structure topological insulator film.

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

NASA Astrophysics Data System (ADS)

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.

Scanning elastic lidar observations of aerosol transport in New York City

NASA Astrophysics Data System (ADS)

Diaz, Adrian; Dominguez, Victor; Dobryansky, Selma; Wu, Yonghua; Arend, Mark; Vladutescu, Daniela Viviana; Gross, Barry; Moshary, Fred

2018-04-01

In this study, spatial distribution of aerosols in New York City is observed using a scanning eyesafe 532 nm elastic-backscatter micro-pulse lidar system. Observations show dynamics of the boundary layer and inhomogeneous distribution and transport of aerosols. The data acquired are complemented with simultaneous measurements of particulate matter and wind speed and direction. Furthermore, the system observations are validated by comparing them with a colocated multi-wavelength lidar.

Studies on the electrical transport properties of carbon nanotube composites

NASA Astrophysics Data System (ADS)

Tarlton, Taylor Warren

This work presents a probabilistic approach to model the electrical transport properties of carbon nanotube composite materials. A pseudo-random generation method is presented with the ability to generate 3-D samples with a variety of different configurations. Periodic boundary conditions are employed in the directions perpendicular to transport to minimize edge effects. Simulations produce values for drift velocity, carrier mobility, and conductivity in samples that account for geometrical features resembling those found in the lab. All results show an excellent agreement to the well-known power law characteristic of percolation processes, which is used to compare across simulations. The effect of sample morphology, like nanotube waviness and aspect ratio, and agglomeration on charge transport within CNT composites is evaluated within this model. This study determines the optimum simulation box-sizes that lead to minimize size-effects without rendering the simulation unaffordable. In addition, physical parameters within the model are characterized, involving various density functional theory calculations within Atomistix Toolkit. Finite element calculations have been performed to solve Maxwell's Equations for static fields in the COMSOL Multiphysics software package in order to better understand the behavior of the electric field within the composite material to further improve the model within this work. The types of composites studied within this work are often studied for use in electromagnetic shielding, electrostatic reduction, or even monitoring structural changes due to compression, stretching, or damage through their effect on the conductivity. However, experimental works have shown that based on various processing techniques the electrical properties of specific composites can vary widely. Therefore, the goal of this work has been to form a model with the ability to accurately predict the conductive properties as a function physical characteristics of the

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Charge transport properties of intrinsic layer in diamond vertical pin diode

NASA Astrophysics Data System (ADS)

Shimaoka, Takehiro; Kuwabara, Daisuke; Hara, Asuka; Makino, Toshiharu; Tanaka, Manobu; Koizumi, Satoshi

2017-05-01

Diamond is hoped to be utilized in ultimate power electronic devices exhibiting ultra-high blocking voltages. For practical device formation, it is important to characterize the electric properties to precisely simulate carrier transport and to practically design optimum device structures. In this study, we experimentally evaluated the charge transport properties of intrinsic layers in diamond vertical pin diodes using alpha-particle induced charge distribution measurements. The charge collection efficiencies were 98.1 ± 0.6% for a {111} pin diode and 96.9 ± 0.6% for a {100} pin diode, which means that almost all generated charges are collected accordingly equivalent to conventional Silicon pin photodiodes. Mobility-lifetime (μτ) products of holes were (2.2 ± 0.3) × 10-6 cm2/V for {111} and (1.8 ± 0.1) × 10-5 cm2/V for {100} diamond pin diodes.

Magnetic and Electrical Transport Properties of Dirac Compound BaMnSb2*

NASA Astrophysics Data System (ADS)

Huang, Silu; Kim, Jisun; Shelton, William. A.; Plummer, Ward; Jin, Rongying

BaMnSb2 is a layered compound containing Sb square nets that is theoretically predicted to host Dirac fermions. We have carried out experimental investigations on electrical transport and magnetic properties of BaMnSb2 single crystals. Both in-plane (ρab) and c-axis (ρc) resistivities show metallic behavior with a small bump in ρc located near 40 K, while there is large anisotropy ρc / ρab ( 100 at 300 K) that increases with decreasing temperature to 1500 at 2 K. Interestingly, Shubnikov-de Hass (SdH) oscillations are observed for both ρab and ρc over a wide temperature and magnetic field range. Quantitative analysis indicates that large amplitude SdH oscillations result from nearly massless Dirac Fermions. Furthermore, our magnetic measurements indicate an A-type antiferromagnetic magnetic ordering below 286 K where ferromagnetic ordering is observed in the ab plane with antiferromagnetic coupling along the c direction. These results indicate that BaMnSb2 is a 2D magnetic Dirac material. This work is supported by NSF through Grant Number DMR-1504226.

Linear elastic properties derivation from microstructures representative of transport parameters.

PubMed

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.

Exploring the influence of texture and composition on the thermal transport properties of mudstones

NASA Astrophysics Data System (ADS)

Kenderes, S. M.; Hofmeister, A. M.; Merriman, J. D.; Whittington, A. G.

2017-12-01

The thermal history of sedimentary basins depends strongly on the thermal transport properties of the rocks within the basin. Mudstones are compositionally diverse, varying both chemically and with modal mineralogy, which are known to affect the thermal transport properties of earth materials. To explore the influence of composition and texture on the thermal transport properties of mudstones, we have measured the thermal diffusivity (D) and isobaric heat capacity (CP) of 12 mudstones using the contact-free laser flash analysis (LFA) and differential scanning calorimetry (DSC). At 20°C, D values of the shales range from 0.318 to 1.214 mm2·s-1 and CP values range from 799 to 918 J·kg-1·°C-1 and at 300°C, D values range from 0.227 to 0.582 mm2·s-1 and CP values range from 1095 to 1344 J·kg-1·°C-1. The mudstones with the highest D values, and lowest CP values are green micaceous or calcareous siltstones respectively, whereas the mudstones with the lowest D values, and highest CP values are black, claystones with 9% organic carbon. This suggests that organic carbon content and, to a lesser extent, the grainsize influence the thermal transport properties of these rocks. The lower D values and higher CP values cause organic rich claystones to absorb and transmit heat differently than other types of mudstones. This is especially true at lower temperatures, where the difference in D values is much greater than at higher temperatures. Additionally, when compared to other sedimentary rocks, shales generally have lower D values and higher CP values. These results also highlight the necessity of using rock type specific values in heat transport numerical models.

Rhamnolipid surface thermodynamic properties and transport in agricultural soil.

PubMed

Renfro, Tyler Dillard; Xie, Weijie; Yang, Guang; Chen, Gang

2014-03-01

Rhamnolipid is a biosurfactant produced by several Pseudomonas species, which can wet hydrophobic soils by lowering the cohesive and/or adhesive surface tension. Because of its biodegradability, rhamnolipid applications bring minimal adverse impact on the soil and groundwater as compared with that of chemical wetting agents. Subsequently, rhamnolipid applications have more advantages when used to improve irrigation in the agricultural soil, especially under draught conditions. In the presence of rhamnolipid, water surface tension dropped linearly with the increase of rhamnolipid concentration until the rhamnolipid critical micelle concentration (CMC) of 30 mg/L was reached. Below the CMC, rhamnolipid had linear adsorption isotherms on the soil with a partition coefficient of 0.126 L/kg. Rhamnolipid transport breakthrough curves had a broad and diffuse infiltration front, indicating retention of rhamnolipid on the soil increased with time. Rhamnolipid transport was found to be well represented by the advection-dispersion equation based on a local equilibrium assumption. When applied at concentrations above the CMC, the formed rhamnolipid micelles prevented rhamnolipid adsorption (both equilibrium adsorption and kinetic adsorption) in the soil. It was discovered in this research that rhamnolipid surface thermodynamic properties played the key role in controlling rhamnolipid transport. The attractive forces between rhamnolipid molecules contributed to micelle formation and facilitated rhamnolipid transport. Published by Elsevier B.V.

User interface techniques in the counseling module of TOPS (Transportation Operational Personal Property Standard)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yow, T.G.

The Transportation Operational Personal Property Standard System (TOPS) is an automated information management system to help administer the personal property transporation program for the Department of Defense (DOD). TOPS was fielded at four prototype sites in the late summer of 1988. Prototype testing is currently underway, with system deployment scheduled for 1989. When fully deployed, TOPS will save DOD both time and money and help ensure that all shipments made by armed services personnel are handled quickly and efficiently. The success of the TOPS system depends upon several key factors. Of course, TOPS must give transportation clerks at military personalmore » property shipping offices a tool with which they can perform their jobs with greater ease, speed, and correctness. However, before TOPS can achieve success in the field, it must first find acceptance from the transportation clerks themselves. The purpose of this document is to examine the user interface techniques used in the Counseling module of TOPS to ensure user acceptance and data base integrity, both key elements in the ultimate success of TOPS. 6 refs., 12 figs.« less

Observations of market pigs following transport to a packing plant.

PubMed

Kephart, K B; Harper, M T; Raines, C R

2010-06-01

A field study was conducted to record observations of 41,744 market-weight pigs upon arrival at a commercial abattoir to evaluate the relationships between various independent factors and open-mouth breathing, skin discoloration, lameness, unloading time, and mortality during transport. Observations were recorded from 242 trailer loads on 46 separate days over a period of 14 mo. Travel time (<2.5 h or >or=2.5 h), wait time before unloading (<20 min or >or=20 min), loading pressure (<260 kg of BW/m(2) trailer floor space or >or=260 kg of BW/m(2) trailer floor space), ambient temperature while unloading (<17 degrees C or >or=17 degrees C), and trailer type [potbelly (PB); straight-deck with conventional unloading doors (SDC); or straight-deck with wide unloading doors (SDW)] were recorded for each load. Open-mouth breathing was more prevalent in pigs when transported on PB trailers compared with that of SDC or SDW trailers (P < 0.01), and at warmer temperatures (>or=17 degrees C, P < 0.001). Skin discoloration was more prevalent (P < 0.001) among pigs unloaded at temperatures >or=17 degrees C. Lameness was more prevalent (P < 0.05) after shorter travel times at greater loading pressure compared with shorter travel times at decreased loading pressure. Unloading time for PB trailers was longer (P < 0.001) than for SDC and SDW. Mortality rates during transport were minimal (0.06%) in the deliveries that we observed, and there were no significant (P > 0.10) relationships between mortality and any independent variable tested. Wait time before unloading was not associated (P > 0.10) with any of the dependent variables included in the statistical model. In conclusion, warmer ambient temperatures (>or=17 degrees C) and the use of PB trailers are associated with an increased incidence of open-mouth breathing and skin discoloration, and longer unloading times after the transport of market pigs.

The effect of bedload transport on mean and turbulent flow properties

NASA Astrophysics Data System (ADS)

Carbonneau, Patrice E.; Bergeron, Normand E.

2000-11-01

This paper reports the results of a flume experiment that was designed to investigate the effect of bedload transport on mean and turbulent properties of the flow. The experiment consisted of varying the bedload transport rate for a given hydraulic condition, and of measuring the flow velocity profiles using an Acoustic Doppler Velocimeter (ADV) for each transport rate in order to allow for comparison. Bedload transport was produced by injecting gravel-size particles ( D50=7.4 mm) with a conveyer belt mounted at the upstream end of the flume. The results indicate that the effect of bedload on flow characteristics is complex. It is shown that bedload transport causes opposite effects on flow velocity depending on the roughness of the bed and the relative magnitude of flow and sediment transport variables. A better understanding of these conflicting results is obtained from the application of an energy budget approach to the analysis of velocity data. This approach demonstrates that bedload affects flow velocity by modifying the rate of dissipation of turbulent kinetic energy. However, the mechanisms responsible for the modification of turbulent dissipation are still unknown.

Electrochemical performance and transport properties of a Nafion membrane in a hydrogen-bromine cell environment

NASA Technical Reports Server (NTRS)

Baldwin, Richard S.

1987-01-01

The overall energy conversion efficiency of a hydrogen-bromine energy storage system is highly dependent upon the characteristics and performance of the ion-exchange membrane utilized as a half-cell separator. The electrochemical performance and transport properties of a duPont Nafion membrane in an aqueous HBr-Br2 environment were investigated. Membrane conductivity data are presented as a function of HBr concentration and temperature for the determination of ohmic voltage losses across the membrane in an operational cell. Diffusion-controlled bromine permeation rates and permeabilities are presented as functions of solution composition and temperature. Relationships between the degree of membrane hydration and the membrane transport characteristics are discussed. The solution chemistry of an operational hydrogen-bromine cell undergoing charge from 45% HBr to 5% HBr is discussed, and, based upon the experimentally observed bromine permeation behavior, predicted cell coulombic losses due to bromine diffusion through the membrane are presented as a function of the cell state-of-charge.

Characterization of the transport properties of channel delta-doped structures by light-modulated Shubnikov-de Haas measurements

NASA Technical Reports Server (NTRS)

Mena, R. A.; Schacham, S. E.; Haugland, E. J.; Alterovitz, S. A.; Young, P. G.; Bibyk, S. B.; Ringel, S. A.

1995-01-01

The transport properties of channel delta-doped quantum well structures were characterized by conventional Hall effect and light-modulated Shubnikov-de Haas (SdH) effect measurements. The large number of carriers that become available due to the delta-doping of the channel, leads to an apparent degeneracy in the well. As a result of this degeneracy, the carrier mobility remains constant as a function of temperature from 300 K down to 1.4 K. The large amount of impurity scattering, associated with the overlap of the charge carriers and the dopants, resulted in low carrier mobilities and restricted the observation of the oscillatory magneto-resistance used to characterize the two-dimensional electron gas (2DEG) by conventional SdH measurements. By light-modulating the carriers, we were able to observe the SdH oscillation at low magnetic fields, below 1.4 tesla, and derive a value for the quantum scattering time. Our results for the ratio of the transport and quantum scattering times are lower than those previously measured for similar structures using much higher magnetic fields.

Modeling Atmospheric Transport for Greenhouse Gas Observations within the Urban Dome

NASA Astrophysics Data System (ADS)

Nehrkorn, T.; Sargent, M. R.; Wofsy, S. C.

2016-12-01

Observations of CO2, CH4, and other greenhouse gases (GHGs) within the urban dome of major cities generally show large enhancements over background values, and large sensitivity to surface fluxes (as measured by the footprints computed by Lagrangian Particle Dispersion Models, LPDMs) within the urban dome. However, their use in top-down inversion studies to constrain urban emission estimates is complicated by difficulties in proper modeling of the atmospheric transport. We are conducting experiments with the Weather Research and Forecast model (WRF) coupled to the STILT LPDM to improve model simulation of atmospheric transport on spatial scales of a few km in urban domains, because errors in transport on short time/space scales are amplified by the patchiness of GHG emissions and may engender systematic errors of simulated concentrations.We are evaluating the quality of the meteorological simulations from model configurations with different resolutions and PBL packages, using both standard and non-standard (Lidar PBL height and ACARS aircraft profile) observations. To take into account the effect of building scale eddies for observations located on top of buildings, we are modifying the basic STILT algorithm for the computation of footprints by replacing the nominal receptor height by an effective sampling height. In addition, the footprint computations for near-field emissions make use of the vertical particle spread within the LPDM to arrive at a more appropriate estimate of mixing heights in the immediate vicinity of receptors. We present the effect of these and similar modifications on simulated concentrations and their level of agreement with observed values.

Structural and robustness properties of smart-city transportation networks

NASA Astrophysics Data System (ADS)

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).

Systematic Variations of Macrospicule Properties Observed by SDO/AIA over Half a Decade

NASA Astrophysics Data System (ADS)

Kiss, T. S.; Gyenge, N.; Erdélyi, R.

2017-01-01

Macrospicules (MSs) are localized small-scale jet-like phenomena in the solar atmosphere, which have the potential to transport a considerable amount of momentum and energy from the lower solar atmospheric regions to the transition region and the low corona. A detailed statistical analysis of their temporal behavior and spatial properties is carried out in this work. Using state-of-the-art spatial and temporal resolution observations, yielded by the Atmospheric Imaging Assembly of Solar Dynamics Observatory, we constructed a database covering a 5.5 year long period, containing 301 macrospicules that occurred between 2010 June and 2015 December, detected at 30.4 nm wavelength. Here, we report the long-term variation of the height, length, average speed, and width of MS in coronal holes and Quiet Sun areas both in the northern and southern hemisphere of the Sun. This new database helps to refine our knowledge about the physical properties of MSs. Cross-correlation of these properties shows a relatively strong correlation, but not always a dominant one. However, a more detailed analysis indicates a wave-like signature in the behavior of MS properties in time. The periods of these long-term oscillatory behaviors are just under two years. Also, in terms of solar north/south hemispheres, a strong asymmetry was found in the spatial distribution of MS properties, which may be accounted for by the solar dynamo. This latter feature may then indicate a strong and rather intrinsic link between global internal and local atmospheric phenomena in the Sun.

A model for inferring transport rates from observed confinement times in field-reversed configurations

NASA Astrophysics Data System (ADS)

Steinhauer, Loren C.; Milroy, Richard D.; Slough, John T.

1985-03-01

A one-dimensional transport model is developed to simulate the confinement of plasma and magnetic flux in a field-reversed configuration. Given the resistivity, the confinement times can be calculated. Approximate expressions are found which yield the magnitude and gross profile of the resistivity if the confinement times are known. These results are applied to experimental data from experiments, primarily TRX-1, to uncover trends in the transport properties. Several important conclusions emerge. The transport depends profoundly, and inexplicably, on the plasma formation mode. The inferred transport differs in several ways from the predictions of local lower-hybrid-drift turbulence theory. Finally, the gross resistivity exhibits an unusual trend with xs (separatrix radius rs divided by the conducting wall radius rc ), and is peaked near the magnetic axis for certain predictable conditions.

First-principles investigation on transport properties of NiO monowire-based molecular device

NASA Astrophysics Data System (ADS)

Chandiramouli, R.; Sriram, S.

2014-08-01

The electronic transport properties of novel NiO monowire connected to the gold electrodes are investigated using density functional theory combined with nonequilibrium Green's functions formalism. The densities of states of the monowire under various bias conditions are discussed. The transport properties are discussed in terms of the transmission spectrum and current-voltage characteristics of NiO monowire. The transmission pathways provide the insight to the transmission of electrons along the monowire. With different bias voltages, current in the order of few microampere flows across the monowire. The applied voltage controls the flow of current through the monowire, which can be used to control the current efficiently in the low order of magnitude in the molecular device.

Thermodynamic Properties and Transport Coefficients of Nitrogen, Hydrogen and Helium Plasma Mixed with Silver Vapor

NASA Astrophysics Data System (ADS)

Zhou, Xue; Cui, Xinglei; Chen, Mo; Zhai, Guofu

2016-05-01

Species composites of Ag-N2, Ag-H2 and Ag-He plasmas in the temperature range of 3,000-20,000 K and at 1 atmospheric pressure were calculated by using the minimization of Gibbs free energy. Thermodynamic properties and transport coefficients of nitrogen, hydrogen and helium plasmas mixed with a variety of silver vapor were then calculated based on the equilibrium composites and collision integral data. The calculation procedure was verified by comparing the results obtained in this paper with the published transport coefficients on the case of pure nitrogen plasma. The influences of the silver vapor concentration on composites, thermodynamic properties and transport coefficients were finally analyzed and summarized for all the three types of plasmas. Those physical properties were important for theoretical study and numerical calculation on arc plasma generated by silver-based electrodes in those gases in sealed electromagnetic relays and contacts. supported by National Natural Science Foundation of China (Nos. 51277038 and 51307030)

A theoretical study for electronic and transport properties of covalent functionalized MoS2 monolayer

NASA Astrophysics Data System (ADS)

Gao, Lijuan; Yang, Zhao-Di; Zhang, Guiling

2017-06-01

The geometries, electronic and electron transport properties of a series of functionalized MoS2 monolayers were investigated using density-functional theory (DFT) and the non-equilibrium Green's function (NEGF) methods. n-Propyl, n-trisilicyl, phenyl, p-nitrophenyl and p-methoxyphenyl are chosen as electron-donating groups. The results show covalent functionalization with electron-donating groups could make a transformation from typical semiconducting to metallic properties for appearance of midgap level across the Fermi level (Ef). The calculations of transport properties for two-probe devices indicate that conductivities of functionalized systems are obviously enhanced relative to pristine MoS2 monolayer. Grafted groups contribute to the major transport path and play an important role in enhancing conductivity. The NDR effect is found. The influence of grafted density is also studied. Larger grafted density leads to wider bandwidth of midgap level, larger current response of I-V curves and larger current difference between peak and valley.

Ce Core-Level Spectroscopy, and Magnetic and Electrical Transport Properties of Lightly Ce-Doped YCoO3

NASA Astrophysics Data System (ADS)

Kobayashi, Yoshihiko; Koike, Tsuyoshi; Okawa, Mario; Takayanagi, Ryohei; Takei, Shohei; Minohara, Makoto; Kobayashi, Masaki; Horiba, Koji; Kumigashira, Hiroshi; Yasui, Akira; Ikenaga, Eiji; Saitoh, Tomohiko; Asai, Kichizo

2016-11-01

We have investigated the Ce and Co core level spectroscopy, and the magnetic and electrical transport properties of lightly Ce-doped YCoO3. We have successfully synthesized single-phase Y1-xCexCoO3 for 0.0 ≤ x ≤ 0.1 by the sol-gel method. Hard X-ray photoelectron and X-ray absorption spectroscopy experiments reveal that the introduced Ce ions are tetravalent, which is considered to be the first case of electron doping into bulk trivalent Co oxides with perovskite RECoO3 (RE: rare-earth element or Y) caused by RE site substitution. The magnitude of the effective magnetic moment peff obtained from the temperature dependence of magnetic susceptibility χ(T) at higher temperatures is close to that for high-spin Co2+ introduced by the Ce doping, implying that the electrons doped into the Co site induce Co2+ with a high-spin state. For x = 0.1, ferromagnetic ordering is observed below about 7 K. Electrical transport properties such as resistivity and thermoelectric power show that negative electron-like carriers are introduced by Ce substitution.

DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder

NASA Astrophysics Data System (ADS)

Andelković, M.; Covaci, L.; Peeters, F. M.

2018-03-01

The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene.

Microgravity Effects on Transendothelial Transport

NASA Technical Reports Server (NTRS)

Tarbell, John M.

1996-01-01

The Endothelial Cell (EC) layer which lines blood vessels from the aorta to the capillaries provides the principal barrier to transport of water and solutes between blood and underlying tissue. Endothelial cells are continuously exposed to the mechanical shearing force (shear stress) and normal force (pressure) imposed by flowing blood on their surface, and they are adapted to this mechanical environment. When the cardiovascular system is exposed to microgravity, the mechanical environmental of endothelial cells is perturbed drastically and the transport properties of EC layers are altered in response. We have shown recently that step changes in shear stress have an acute effect on transport properties of EC layers in a cell culture model, and several recent studies in different vessels of live animals have confirmed the shear-dependent transport properties of the endothelium. We hypothesize that alterations in mechanical forces induced by microgravity and their resultant influence on transendothelial transport of water and solutes are, in large measure, responsible for the characteristic cephalad fluid shift observed in humans experiencing microgravity. To study the effects of altered mechanical forces on transendothelial transport and to test pharmacologic agents as counter measures to microgravity induced fluid shifts we have proposed ground-based studies using well defined cell culture models.

Thermoelectric and phonon transport properties of two-dimensional IV-VI compounds.

PubMed

Shafique, Aamir; Shin, Young-Han

2017-03-30

We explore the thermoelectric and phonon transport properties of two-dimensional monochalcogenides (SnSe, SnS, GeSe, and GeS) using density functional theory combined with Boltzmann transport theory. We studied the electronic structures, Seebeck coefficients, electrical conductivities, lattice thermal conductivities, and figures of merit of these two-dimensional materials, which showed that the thermoelectric performance of monolayer of these compounds is improved in comparison compared to their bulk phases. High figures of merit (ZT) are predicted for SnSe (ZT = 2.63, 2.46), SnS (ZT = 1.75, 1.88), GeSe (ZT = 1.99, 1.73), and GeS (ZT = 1.85, 1.29) at 700 K along armchair and zigzag directions, respectively. Phonon dispersion calculations confirm the dynamical stability of these compounds. The calculated lattice thermal conductivities are low while the electrical conductivities and Seebeck coefficients are high. Thus, the properties of the monolayers show high potential toward thermoelectric applications.

Transport variability of the Brazil Current from observations and a data assimilation model

NASA Astrophysics Data System (ADS)

Schmid, Claudia; Majumder, Sudip

2018-06-01

The Brazil Current transports from observations and the Hybrid Coordinate Model (HYCOM) model are analyzed to improve our understanding of the current's structure and variability. A time series of the observed transport is derived from a three-dimensional field of the velocity in the South Atlantic covering the years 1993 to 2015 (hereinafter called Argo & SSH). The mean transports of the Brazil Current increases from 3.8 ± 2.2 Sv (1 Sv is 106 m3 s-1) at 25° S to 13.9 ± 2.6 Sv at 32° S, which corresponds to a mean slope of 1.4 ± 0.4 Sv per degree. Transport estimates derived from HYCOM fields are somewhat higher (5.2 ± 2.7 and 18.7 ± 7.1 Sv at 25 and 32° S, respectively) than those from Argo & SSH, but these differences are small when compared with the standard deviations. Overall, the observed latitude dependence of the transport of the Brazil Current is in agreement with the wind-driven circulation in the super gyre of the subtropical South Atlantic. A mean annual cycle with highest (lowest) transports in austral summer (winter) is found to exist at selected latitudes (24, 35, and 38° S). The significance of this signal shrinks with increasing latitude (both in Argo & SSH and HYCOM), mainly due to mesoscale and interannual variability. Both Argo & SSH, as well as HYCOM, reveal interannual variability at 24 and 35° S that results in relatively large power at periods of 2 years or more in wavelet spectra. It is found that the interannual variability at 24° S is correlated with the South Atlantic Subtropical Dipole Mode (SASD), the Southern Annular Mode (SAM), and the Niño 3.4 index. Similarly, correlations between SAM and the Brazil Current transport are also found at 35° S. Further investigation of the variability reveals that the first and second mode of a coupled empirical orthogonal function of the meridional transport and the sea level pressure explain 36 and 15 % of the covariance, respectively. Overall, the results indicate that

Atomistic investigation of the structural, transport, and mechanical properties of Cu-Zr metallic glasses

NASA Astrophysics Data System (ADS)

Kumar, Mohit

The unique set of mechanical and magnetic properties possessed by metallic glasses has attracted a lot of recent scientific and technological interest. The development of new metallic glass alloys with improved manufacturability, enhanced properties and higher ductility relies on the fundamental understanding of the interconnections between their atomic structure, glass forming ability (GFA), transport properties, and elastic and plastic deformation mechanisms. This thesis is focused on finding these atomic structure-property relationships in Cu-Zr BMGs using molecular dynamics simulations. In the first study described herein, molecular dynamics simulations of the rapid solidification process over the Cu-Zr compositional domain were conducted to explore inter-dependencies of atomic transport and fragility, elasticity and structural ordering, and GFA. The second study investigated the atomic origins of serration events, which is the characteristic plastic deformation behaviour in BMGs. The combined results of this work suggest that GFA and ductility of metallic glasses could be compositionally tuned.

Composition dependence of electronic, magnetic, transport and morphological properties of mixed valence manganite thin films

DOE PAGES

Singh, Surendra; Freeland, J. W.; Fitzsimmons, Michael R.; ...

2016-07-27

Mixed-valence manganese oxides present striking properties like the colossal magnetoresistance, metal-insulator transition (MIT) that may result from coexistence of ferromagnetic, metallic and insulating phases. Percolation of such phase coexistence in the vicinity of MIT leads to first-order transition in these manganites. However the length scales over which the electronic and magnetic phases are separated across MIT which appears compelling for bulk systems has been elusive in (La 1-yPr y) 1-xCaxMnO 3 films. Here we show the in-plane length scale over which charge and magnetism are correlated in (La 0.4Pr 0.6) 1-xCaxMnO3 films with x = 0.33 and 0.375, across themore » MIT temperature. We combine electrical transport (resistance) measurements, x-ray absorption spectroscopy (XAS), x-ray magnetic circular dichroism (XMCD), and specular/off-specular x-ray resonant magnetic scattering (XRMS) measurements as a function of temperature to elucidate relationships between electronic, magnetic and morphological structure of the thin films. Using off-specular XRMS we obtained the charge-charge and charge-magnetic correlation length of these LPCMO films across the MIT. We observed different charge-magnetic correlation length for two films which increases below the MIT. The different correlation length shown by two films may be responsible for different macroscopic (transport and magnetic) properties.« less

Static and transport properties of alkyltrimethylammonium cation-based room-temperature ionic liquids.

PubMed

Seki, Shiro; Tsuzuki, Seiji; Hayamizu, Kikuko; Serizawa, Nobuyuki; Ono, Shimpei; Takei, Katsuhito; Doi, Hiroyuki; Umebayashi, Yasuhiro

2014-05-01

We have measured physicochemical properties of five alkyltrimethylammonium cation-based room-temperature ionic liquids and compared them with those obtained from computational methods. We have found that static properties (density and refractive index) and transport properties (ionic conductivity, self-diffusion coefficient, and viscosity) of these ionic liquids show close relations with the length of the alkyl chain. In particular, static properties obtained by experimental methods exhibit a trend complementary to that by computational methods (refractive index ∝ [polarizability/molar volume]). Moreover, the self-diffusion coefficient obtained by molecular dynamics (MD) simulation was consistent with the data obtained by the pulsed-gradient spin-echo nuclear magnetic resonance technique, which suggests that computational methods can be supplemental tools to predict physicochemical properties of room-temperature ionic liquids.

Evaluate transport processes in MERRA driven chemical transport models using updated 222Rn emission inventories and global observations

NASA Astrophysics Data System (ADS)

Zhang, B.; Liu, H.; Crawford, J. H.; Fairlie, T. D.; Chen, G.; Chambers, S. D.; Kang, C. H.; Williams, A. G.; Zhang, K.; Considine, D. B.; Payer Sulprizio, M.; Yantosca, R.

2015-12-01

Convective and synoptic processes play a major role in determining the transport and distribution of trace gases and aerosols in the troposphere. The representation of these processes in global models (at ~100-1000 km horizontal resolution) is challenging, because convection is a sub-grid process and needs to be parameterized, while synoptic processes are close to the grid scale. Depending on the parameterization schemes used in climate models, the role of convection in transporting trace gases and aerosols may vary from model to model. 222Rn is a chemically inert and radioactive gas constantly emitted from soil and has a half-life (3.8 days) comparable to synoptic timescale, which makes it an effective tracer for convective and synoptic transport. In this study, we evaluate the convective and synoptic transport in two chemical transport models (GMI and GEOS-Chem), both driven by the NASA's MERRA reanalysis. Considering the uncertainties in 222Rn emissions, we incorporate two more recent scenarios with regionally varying 222Rn emissions into GEOS-Chem/MERRA and compare the simulation results with those using the relatively uniform 222Rn emissions in the standard model. We evaluate the global distribution and seasonality of 222Rn concentrations simulated by the two models against an extended collection of 222Rn observations from 1970s to 2010s. The intercomparison will improve our understanding of the spatial variability in global 222Rn emissions, including the suspected excessive 222Rn emissions in East Asia, and provide useful feedbacks on 222Rn emission models. We will assess 222Rn vertical distributions at different latitudes in the models using observations at surface sites and in the upper troposphere and lower stratosphere. Results will be compared with previous models driven by other meteorological fields (e.g., fvGCM and GEOS4). Since the decay of 222Rn is the source of 210Pb, a useful radionuclide tracer attached to submicron aerosols, improved

Quantifying the transport properties of lipid mesophases by theoretical modelling of diffusion experiments

NASA Astrophysics Data System (ADS)

Antognini, Luca M.; Assenza, Salvatore; Speziale, Chiara; Mezzenga, Raffaele

2016-08-01

Lyotropic Liquid Crystals (LLCs) are a class of lipid-based membranes with a strong potential for drug-delivery employment. The characterization and control of their transport properties is a central issue in this regard, and has recently prompted a notable volume of research on the topic. A promising experimental approach is provided by the so-called diffusion setup, where the drug molecules diffuse from a feeding chamber filled with water to a receiving one passing through a LLC. In the present work we provide a theoretical framework for the proper description of this setup, and validate it by means of targeted experiments. Due to the inhomogeneity of the system, a rich palette of different diffusion dynamics emerges from the interplay of the different time- and lengthscales thereby present. Our work paves the way to the employment of diffusion experiments to quantitatively characterize the transport properties of LLCs, and provides the basic tools for device diffusion setups with controlled kinetic properties.

Charge distribution and transport properties in reduced ceria phases: A review

NASA Astrophysics Data System (ADS)

Shoko, E.; Smith, M. F.; McKenzie, Ross H.

2011-12-01

The question of the charge distribution in reduced ceria phases (CeO2-x) is important for understanding the microscopic physics of oxygen storage capacity, and the electronic and ionic conductivities in these materials. All these are key properties in the application of these materials in catalysis and electrochemical devices. Several approaches have been applied to study this problem, including ab initio methods. Recently [1], we applied the bond valence model (BVM) to discuss the charge distribution in several different crystallographic phases of reduced ceria. Here, we compare the BVM results to those from atomistic simulations to determine if there is consistency in the predictions of the two approaches. Our analysis shows that the two methods give a consistent picture of the charge distribution around oxygen vacancies in bulk reduced ceria phases. We then review the transport theory applicable to reduced ceria phases, providing useful relationships which enable comparison of experimental results obtained by different techniques. In particular, we compare transport parameters obtained from the observed optical absorption spectrum, α(ω), dc electrical conductivity with those predicted by small polaron theory and the Harrison method. The small polaron energy is comparable to that estimated from α(ω). However, we found a discrepancy between the value of the electron hopping matrix element, t, estimated from the Marcus-Hush formula and that obtained by the Harrison method. Part of this discrepancy could be attributed to the system lying in the crossover region between adiabatic and nonadiabatic whereas our calculations assumed the system to be nonadiabatic. Finally, by considering the relationship between the charge distribution and electronic conductivity, we suggest the possibility of low temperature metallic conductivity for intermediate phases, i.e., x˜0.3. This has not yet been experimentally observed.

Anomalous Transport Properties of Dense QCD in a Magnetic Field

NASA Astrophysics Data System (ADS)

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.

Transport properties of olivine grain boundaries from electrical conductivity experiments

NASA Astrophysics Data System (ADS)

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.

Enhanced SO2 Concentrations Observed over Northern India: Role of Long-range Transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mallik, C.; Lal, S.; Naja, M.

2013-01-17

Volcanic emissions and coal burning are among the major sources of SO2 over the continental environment. In this study, we show episodes of long-range transport of volcanic SO2 from Africa to Northern India using satellite observations. Monthly averaged SO2 from OMI were of the order of 0.6-0.9 DU during November, 2008 over the Indo-Gangetic Plain (IGP), which far exceeded background values (<0.3 DU) retrieved from observations across different locations over North India during 2005-2010. The columnar SO2 loadings were much higher on November 6 over most of the IGP and even exceeded 6 DU, a factor of 10 higher thanmore » background levels at some places. These enhanced SO2 levels were, however, not reciprocated in satellite derived NO2 or CO columns, indicating transport from a non-anthropogenic source of SO2. Backward trajectory analysis revealed strong winds in the free troposphere, which originated from the Dalaffilla volcanic eruption over the Afar region of Ethiopia during November 4-6, 2008. Wind streams and stable atmospheric conditions were conducive to the long-range transport of volcanic plume into the IGP. As most of the local aerosols over IGP region are below 3 km, a well separated layer at 4-5 km is observed from CALIPSO, most likely as a result of this transport. Apart from known anthropogenic sources, the additional transport of volcanic SO2 over the IGP region would have implications to air quality and radiation balance over this region.« less

Direct observations of the Antarctic Slope Current transport at 113°E

NASA Astrophysics Data System (ADS)

Peña-Molino, B.; McCartney, M. S.; Rintoul, S. R.

2016-10-01

The Antarctic Slope Current (ASC), defined here as the region of westward flow along the continental slope off Antarctica, forms the southern limb of the subpolar gyres. It regulates the exchange of water across the shelf break and provides a path for interbasin westward transport. Despite its significance, the ASC remains largely unobserved around most of the Antarctic continent. Here we present direct velocity observations from a 17 month current meter moored array deployed across the continental slope between the 1000 and the 4200 m isobaths, in the southeastern Indian Ocean near 113°E. The observed time-mean flow consists of a surface-intensified jet associated with the Antarctic Slope Front (ASF) and a broader bottom-intensified westward flow that extends out to approximately the 4000 m isobath and is strongest along the upper slope. The time-mean transport of the ASC is -29.2 Sv. Fluctuations in the transport are large, typically exceeding the mean by a factor of 2. They are mainly due to changes in the northward extent of the current over the lower slope. However, seasonal changes in the wind also drive variations in the transport of the ASF and the flow in the upper slope. Both mean and variability are largely barotropic, thus invisible to traditional geostrophic methods.

Morphologic and transport properties of natural organic floc

USGS Publications Warehouse

Larsen, Laurel G.; Harvey, Judson W.; Crimaldi, John P.

2009-01-01

The morphology, entrainment, and settling of suspended aggregates (“floc”) significantly impact fluxes of organic carbon, nutrients, and contaminants in aquatic environments. However, transport properties of highly organic floc remain poorly understood. In this study detrital floc was collected in the Florida Everglades from two sites with different abundances of periphyton for use in a settling column and in racetrack flume entrainment experiments. Although Everglades flocs are similar to other organic aggregates in terms of morphology and settling rates, they tend to be larger and more porous than typical mineral flocs because of biostabilization processes and relatively low prevailing shear stresses typical of wetlands. Flume experiments documented that Everglades floc was entrained at a low bed shear stress of 1.0 × 10−2 Pa, which is considerably smaller than the typical entrainment threshold of mineral floc. Because of similarities between Everglades floc and other organic floc populations, floc transport characteristics in the Everglades typify the behavior of floc in other organic‐rich shallow‐water environments. Highly organic floc is more mobile than less organic floc, but because bed shear stresses in wetlands are commonly near the entrainment threshold, wetland floc dynamics are often transport‐limited rather than supply limited. Organic floc transport in these environments is therefore governed by the balance between entrainment and settling fluxes, which has implications for ecosystem metabolism, materials cycling, and even landscape evolution.

Charge carrier transport properties in thallium bromide crystalls used as radiation detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Olschner, F.; Toledo-Quinones, M.; Shah, K.S.

1990-06-01

Thallium bromide (TlBr) is an attractive material for use in radiation detectors because of its wide bandgap (2.68 eV) and very high atomic number. Usefulness as a semiconductor detector material, however, also requires good charge carrier transport properties in order to maximize the magnitude of the signal from the detector. The authors report on measurements of the two most important transport parameters; the mobility {mu} and the mean trapping time {tau} for electrons and holes in TlBr crystals prepared in the laboratory.

Thermophysical and heat transfer properties of phase change material candidate for waste heat transportation system

NASA Astrophysics Data System (ADS)

Kaizawa, Akihide; Maruoka, Nobuhiro; Kawai, Atsushi; Kamano, Hiroomi; Jozuka, Tetsuji; Senda, Takeshi; Akiyama, Tomohiro

2008-05-01

A waste heat transportation system trans-heat (TH) system is quite attractive that uses the latent heat of a phase change material (PCM). The purpose of this paper is to study the thermophysical properties of various sugars and sodium acetate trihydrate (SAT) as PCMs for a practical TH system and the heat transfer property between PCM selected and heat transfer oil, by using differential scanning calorimetry (DSC), thermogravimetry-differential thermal analysis (TG-DTA) and a heat storage tube. As a result, erythritol, with a large latent heat of 344 kJ/kg at melting point of 117°C, high decomposition point of 160°C and excellent chemical stability under repeated phase change cycles was found to be the best PCM among them for the practical TH system. In the heat release experiments between liquid erythritol and flowing cold oil, we observed foaming phenomena of encapsulated oil, in which oil droplet was coated by solidification of PCM.

Magnetic anisotropy and transport properties of 70 nm SrRuO3 films grown on different substrates

NASA Astrophysics Data System (ADS)

Wang, X. W.; Zhang, Y. Q.; Meng, H.; Wang, Z. J.; Li, D.; Zhang, Z. D.

2011-04-01

Magnetic and transport properties of 70 nm SrRuO3 films grown on (001) SrTiO3, (001) LaAlO3 and (001) MgO have been investigated. A perpendicular magnetic anisotropy is observed in compressive strained films grown on SrTiO3. A weaker perpendicular magnetic anisotropy and a weak in-plane magnetic anisotropy are found in strain-free films grown on MgO and LAO, respectively, possibly due to different growth mechanisms. In addition, metallic behavior is observed in all the as-grown films and the resistivity of the film grown on MgO is lowest (230 μΩ cm at 300 K), which is close to that of bulk single crystal SrRuO3 (about 195 μΩ cm). The relation between structure and properties indicates that the magnetic anisotropy, as well as the magnitude of resistivity of SrRuO3 films, can be effectively tailored by taking advantage of different strains and growth mechanisms induced by growth on different substrates.

Along-slope variability of barotropic transport in the Nordic Seas: Simplified dynamics tested against observations

NASA Astrophysics Data System (ADS)

Aaboe, S.; NøSt, O. A.; Hansen, E.

2009-03-01

The present study combines simple geostrophic considerations and observational data to examine the along-slope evolution of the barotropic transport following the continental slope in the Nordic Seas and Arctic Ocean. Following geostrophic theory, the transport evolution is calculated from bottom densities in five different transects within the Nordic Seas. This theoretically predicted transport evolution is compared with transports estimated directly from velocity measurements. Between the Faroe-Shetland Channel and the Svinøy section off southern Norway, across the Fram Strait (below 800 m), and between the Fram Strait and the Greenland Sea the agreement is generally good between geostrophic theory and observations. This indicates that many aspects of the barotropic flow in these regions are captured by geostrophic dynamics. Between the eastern and western Fram Strait above 800 m and between Svinøy and the eastern Fram Strait the observed flow fields differ to a large extent from the flow field predicted by geostrophic dynamics, indicating that ageostrophic dynamics play a more important role in these regions. The barotropic transport differences between the eastern and western Fram Strait contain information about the barotropic transport evolution along the entire Arctic continental slope. The good agreement between observations and theory across the strait (below 800 m) therefore indicates that the flow along the deeper part of the Arctic continental slope is well described by geostrophic dynamics. According to our results, the noticeably more baroclinic nature of the flow in the western Fram Strait, compared with the eastern strait, can then be ascribed to water mass modifications along the Arctic continental slope.

Exact Thermal Transport Properties of Gray-Arsenic using Electon-Phonon Coupling

NASA Astrophysics Data System (ADS)

Kang, Seoung-Hun; Kwon, Young-Kyun

Using various theoretical methods, we investigate the thermoelectric property of gray arsenic. Thermoelectric devices that utilize the Seebeck effect convert heat flow into electrical energy. The conversion efficiency of such a device is determined by its figure of merit or ZT value, which is related to various transport coefficients, such as Seebeck coefficient and the ratio of its electrical conductivity to its thermal counterpart for given temperature. To calculate various transport coefficients and thus the ZT values of gray arsenic, we apply the Boltzmann transport theory to its electronic and phononic structures obtained by density functional theory and density functional perturbation theory together with maximally locallized Wannier functions. During this procedure, we evaluate its relaxation time accurately by explicitly considering electron-phonon coupling. Our result reveals that gray arsenic may be used for a good p-type thermoelectric devices.

Influence of nanoparticle-ion and nanoparticle-polymer interactions on ion transport and viscoelastic properties of polymer electrolytes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mogurampelly, Santosh; Sethuraman, Vaidyanathan; Pryamitsyn, Victor

We use atomistic simulations to probe the ion conductivities and mechanical properties of polyethylene oxide electrolytes containing Al{sub 2}O{sub 3} nanoparticles. We specifically study the influence of repulsive polymer-nanoparticle and ion-nanoparticle interactions and compare the results with those reported for electrolytes containing the polymorph β-Al{sub 2}O{sub 3} nanoparticles. We observe that incorporating repulsive nanoparticle interactions generally results in increased ionic mobilities and decreased elastic moduli for the electrolyte. Our results indicate that both ion transport and mechanical properties are influenced by the polymer segmental dynamics in the interfacial zones of the nanoparticle in the ion-doped systems. Such effects were seenmore » to be determined by an interplay between the nanoparticle-polymer, nanoparticle-ion, and ion-polymer interactions. In addition, such interactions were also observed to influence the number of dissociated ions and the resulting conductivities. Within the perspective of the influence of nanoparticles on the polymer relaxation times in ion-doped systems, our results in the context of viscoelastic properties were consistent with the ionic mobilities. Overall, our results serve to highlight some issues that confront the efforts to use nanoparticle dispersions to simultaneously enhance the conductivity and the mechanical strength of polymer electrolyte.« less

Non-amine-based dopamine transporter (reuptake) inhibitors retain properties of amine-based progenitors.

PubMed

Madras, Bertha K; Fahey, Michele A; Miller, Gregory M; De La Garza, Richard; Goulet, Martin; Spealman, Roger D; Meltzer, Peter C; George, Susan R; O'Dowd, Brian F; Bonab, Ali A; Livni, Eli; Fischman, Alan J

2003-10-31

Without exception, therapeutic and addictive drugs that produce their primary effects by blocking monoamine transporters in brain contain an amine nitrogen in their structure. This fundamental canon of drug design was based on a prevailing premise that an amine nitrogen is required to mimic the structures of monoamine neurotransmitters and other natural products. Non-amines, a novel class of compounds that contain no amine nitrogen, block monoamine transporters in the nM range and display markedly high selectivity for monoamine transporters, but not for receptors. Non-amines retain the spectrum of biochemical and pharmacological properties characteristic of amine-bearing counterparts. These novel drugs compel a revision of current concepts of drug-monoamine transporter complex formation and open avenues for discovery of a new generation of therapeutic drugs.

Transport properties of random media: A new effective medium theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Busch, K.; Soukoulis, C.M.

We present a new method for efficient, accurate calculations of transport properties of random media. It is based on the principle that the wave energy density should be uniform when averaged over length scales larger than the size of the scatterers. This scheme captures the effects of resonant scattering of the individual scatterer exactly, as well as the multiple scattering in a mean-field sense. It has been successfully applied to both ``scalar`` and ``vector`` classical wave calculations. Results for the energy transport velocity are in agreement with experiment. This approach is of general use and can be easily extended tomore » treat different types of wave propagation in random media. {copyright} {ital 1995} {ital The} {ital American} {ital Physical} {ital Society}.« less

Optical Properties of atmospheric dust from twilight observations

NASA Technical Reports Server (NTRS)

Divari, N. B.; Zaginayilo, Y. I.; Kovalchuk, L. V.

1973-01-01

Three methods of approximation are described and used to separate the primary twilight brightness from the observed brightness. Photoelectric observations obtained are combined with observations from a balloon and from the observatory to derive the atmospheric scattering phase functions of 0.37 micron and 0.58 micron as a function of height. Comparison of these data with data for a Rayleigh atmosphere provide information on the optical properties of dust in the upper atmosphere.

Ab initio calculation of transport properties between PbSe quantum dots facets with iodide ligands

NASA Astrophysics Data System (ADS)

Wang, B.; Patterson, R.; Chen, W.; Zhang, Z.; Yang, J.; Huang, S.; Shrestha, S.; Conibeer, G.

2018-01-01

The transport properties between Lead Selenide (PbSe) quantum dots decorated with iodide ligands has been studied using density functional theory (DFT). Quantum conductance at each selected energy levels has been calculated along with total density of states and projected density of states. The DFT calculation is carried on using a grid-based planar augmented wave (GPAW) code incorporated with the linear combination of atomic orbital (LCAO) mode and Perdew Burke Ernzerhof (PBE) exchange-correlation functional. Three iodide ligand attached low index facets including (001), (011), (111) are investigated in this work. P-orbital of iodide ligand majorly contributes to density of state (DOS) at near top valence band resulting a significant quantum conductance, whereas DOS of Pb p-orbital shows minor influence. Various values of quantum conductance observed along different planes are possibly reasoned from a combined effect electrical field over topmost surface and total distance between adjacent facets. Ligands attached to (001) and (011) planes possess similar bond length whereas it is significantly shortened in (111) plane, whereas transport between (011) has an overall low value due to newly formed electric field. On the other hand, (111) plane with a net surface dipole perpendicular to surface layers leading to stronger electron coupling suggests an apparent increase of transport probability. Apart from previously mentioned, the maximum transport energy levels located several eVs (1 2 eVs) from the edge of valence band top.

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

NASA Astrophysics Data System (ADS)

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.

Electron transport properties in fluorinated copper-phthalocyanine films: importance of vibrational reorganization energy and molecular microstructure.

PubMed

Wu, Fu-Chiao; Cheng, Horng-Long; Yen, Chen-Hsiang; Lin, Jyu-Wun; Liu, Shyh-Jiun; Chou, Wei-Yang; Tang, Fu-Ching

2010-03-07

Electron transport (ET) properties of a series of fluorinated copper-phthalocyanine (F(16)CuPc) thin films, which were deposited at different substrate temperatures (T(sub)) ranging from 30 to 150 degrees C, have been investigated by quantum mechanical calculations of the reorganization energy (lambda(reorg)), X-ray diffraction (XRD), atomic force microscopy (AFM), and microRaman spectroscopy. Density functional theory calculations were used to predict the vibrational frequencies, normal mode displacement vectors, and electron-vibrational lambda(reorg) for the F(16)CuPc molecule. The electron mobilities (mu(e)) of F(16)CuPc thin films are strongly dependent on the T(sub), and the value of mu(e) increases with increasing T(sub) from 30 to 120 degrees C, at which point it reaches its maximum value. The importance of electron-vibrational coupling and molecular microstructures for ET properties in F(16)CuPc thin films are discussed on the basis of theoretical vibrational lambda(reorg) calculations and experimental observations of resonance Raman spectra. We observed a good correlation between mu(e) and the full-width-at-half-maximum of the vibrational bands, which greatly contributed to lambda(reorg) and/or which reflects the molecular microstructural quality of the active channel. In contrast, the crystal size analysis by XRD and surface grain morphology by AFM did not reveal a clear correlation with the ET behaviours for these different F(16)CuPc thin films. Therefore, we suggest that for organic films with weak intermolecular interactions, such as F(16)CuPc, optimized microscopic molecular-scale parameters are highly important for efficient long-range charge transport in the macroscopic devices.

Colligative thermoelectric transport properties in n-type filled CoSb{sub 3} determined by guest electrons in a host lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lim, Young Soo, E-mail: yslim@pknu.ac.kr, E-mail: wsseo@kicet.re.kr, E-mail: pmoka@lgchem.com; Park, Kwan-Ho; Tak, Jang Yeul

2016-03-21

Among many kinds of thermoelectric materials, CoSb{sub 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{sub 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, whichmore » are mostly donated by the fillers, in the conduction band of the host CoSb{sub 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{sub 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{sub 3} materials.« less

Airborne lidar observations of long-range transport in the free troposphere

NASA Technical Reports Server (NTRS)

Shipley, S. T.; Browell, E. V.; Mcdougal, D. S.; Orndorff, B. L.; Haagenson, P.

1984-01-01

Airborne lidar measurements of ozone and aerosols in the lower troposphere show the presence of pollutant layers above the mixed layer. Two case studies are analyzed to identify probable source regions and mechanisms for material injection into the free troposphere above local mixed layers. An elevated haze/oxidant layer observed over South Carolina on Aug. 2, 1980, was found to originate in cumulus convection over Georgia on Aug. 1, 1980. An extensive haze/oxidant layer observed over southeastern Virginia on July 31, 1981, is shown to have been in contact with the New England mixed layer on July 30, 1981. This transported air mass is estimated to contribute approximately 30 percent of the ozone maximum measured at the surface in the Norfolk, VA, area on July 31, 1981. Such elevated 'reservoir' layers are transported over long ranges and are not detected by sensors which are confined to the surface.

Trans-Pacific transport and evolution of aerosols: Evaluation of quasi-global WRF-Chem simulation with multiple observations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Zhiyuan; Zhao, Chun; Huang, Jianping

A fully coupled meteorology-chemistry model (WRF-Chem, the Weather Research and Forecasting model coupled with chemistry) has been configured to conduct quasi-global simulation for 5 years (2010–2014) and evaluated with multiple observation data sets for the first time. The evaluation focuses on the simulation over the trans-Pacific transport region using various reanalysis and observational data sets for meteorological fields and aerosol properties. The simulation generally captures the overall spatial and seasonal variability of satellite retrieved aerosol optical depth (AOD) and absorbing AOD (AAOD) over the Pacific that is determined by the outflow of pollutants and dust and the emissions of marine aerosols.more » The assessment of simulated extinction Ångström exponent (EAE) indicates that the model generally reproduces the variability of aerosol size distributions as seen by satellites. In addition, the vertical profile of aerosol extinction and its seasonality over the Pacific are also well simulated. The difference between the simulation and satellite retrievals can be mainly attributed to model biases in estimating marine aerosol emissions as well as the satellite sampling and retrieval uncertainties. Compared with the surface measurements over the western USA, the model reasonably simulates the observed magnitude and seasonality of dust, sulfate, and nitrate surface concentrations, but significantly underestimates the peak surface concentrations of carbonaceous aerosol likely due to model biases in the spatial and temporal variability of biomass burning emissions and secondary organic aerosol (SOA) production. A sensitivity simulation shows that the trans-Pacific transported dust, sulfate, and nitrate can make significant contribution to surface concentrations over the rural areas of the western USA, while the peaks of carbonaceous aerosol surface concentrations are dominated by the North American emissions. Both the retrievals and simulation show

Trans-Pacific transport and evolution of aerosols: Evaluation of quasi-global WRF-Chem simulation with multiple observations

DOE PAGES

Hu, Zhiyuan; Zhao, Chun; Huang, Jianping; ...

2016-05-10

A fully coupled meteorology-chemistry model (WRF-Chem, the Weather Research and Forecasting model coupled with chemistry) has been configured to conduct quasi-global simulation for 5 years (2010–2014) and evaluated with multiple observation data sets for the first time. The evaluation focuses on the simulation over the trans-Pacific transport region using various reanalysis and observational data sets for meteorological fields and aerosol properties. The simulation generally captures the overall spatial and seasonal variability of satellite retrieved aerosol optical depth (AOD) and absorbing AOD (AAOD) over the Pacific that is determined by the outflow of pollutants and dust and the emissions of marine aerosols.more » The assessment of simulated extinction Ångström exponent (EAE) indicates that the model generally reproduces the variability of aerosol size distributions as seen by satellites. In addition, the vertical profile of aerosol extinction and its seasonality over the Pacific are also well simulated. The difference between the simulation and satellite retrievals can be mainly attributed to model biases in estimating marine aerosol emissions as well as the satellite sampling and retrieval uncertainties. Compared with the surface measurements over the western USA, the model reasonably simulates the observed magnitude and seasonality of dust, sulfate, and nitrate surface concentrations, but significantly underestimates the peak surface concentrations of carbonaceous aerosol likely due to model biases in the spatial and temporal variability of biomass burning emissions and secondary organic aerosol (SOA) production. A sensitivity simulation shows that the trans-Pacific transported dust, sulfate, and nitrate can make significant contribution to surface concentrations over the rural areas of the western USA, while the peaks of carbonaceous aerosol surface concentrations are dominated by the North American emissions. Both the retrievals and simulation show

Trans-Pacific transport and evolution of aerosols: evaluation of quasi-global WRF-Chem simulation with multiple observations

NASA Astrophysics Data System (ADS)

Hu, Zhiyuan; Zhao, Chun; Huang, Jianping; Leung, L. Ruby; Qian, Yun; Yu, Hongbin; Huang, Lei; Kalashnikova, Olga V.

2016-05-01

A fully coupled meteorology-chemistry model (WRF-Chem, the Weather Research and Forecasting model coupled with chemistry) has been configured to conduct quasi-global simulation for 5 years (2010-2014) and evaluated with multiple observation data sets for the first time. The evaluation focuses on the simulation over the trans-Pacific transport region using various reanalysis and observational data sets for meteorological fields and aerosol properties. The simulation generally captures the overall spatial and seasonal variability of satellite retrieved aerosol optical depth (AOD) and absorbing AOD (AAOD) over the Pacific that is determined by the outflow of pollutants and dust and the emissions of marine aerosols. The assessment of simulated extinction Ångström exponent (EAE) indicates that the model generally reproduces the variability of aerosol size distributions as seen by satellites. In addition, the vertical profile of aerosol extinction and its seasonality over the Pacific are also well simulated. The difference between the simulation and satellite retrievals can be mainly attributed to model biases in estimating marine aerosol emissions as well as the satellite sampling and retrieval uncertainties. Compared with the surface measurements over the western USA, the model reasonably simulates the observed magnitude and seasonality of dust, sulfate, and nitrate surface concentrations, but significantly underestimates the peak surface concentrations of carbonaceous aerosol likely due to model biases in the spatial and temporal variability of biomass burning emissions and secondary organic aerosol (SOA) production. A sensitivity simulation shows that the trans-Pacific transported dust, sulfate, and nitrate can make significant contribution to surface concentrations over the rural areas of the western USA, while the peaks of carbonaceous aerosol surface concentrations are dominated by the North American emissions. Both the retrievals and simulation show small

Use of Field Observations for Understanding Controls of Polar Low Cloud Microphysical Properties

NASA Astrophysics Data System (ADS)

McFarquhar, G. M.

2016-12-01

Although arctic clouds have a net warming effect on the Arctic surface, their radiative effect is sensitive to cloud microphysical properties, namely the sizes, phases and shapes of cloud particles. Such cloud properties are influenced by the numbers, compositions and sizes of aerosols, meteorological conditions, and surface characteristics. Uncertainty in representing cloud-aerosol interactions in varying environmental conditions and associated feedbacks is a major cause in our lack of understanding of why the Arctic is warming faster than the rest of the Earth. Here, the understanding of cloud-aerosol interactions gained from past arctic field experiments is reviewed. Such studies have characterized the structure of single-layer mixed phase clouds that are ubiquitous in the Arctic and investigated different aerosol indirect effect mechanisms acting in these clouds. But, it is still unknown what controls the amount of supercooled water in arctic clouds (especially in complex frequently occurring multi-layer clouds), how probability distributions of cloud properties and radiative heating and their subsequent impact on temperature profiles and underlying snow and sea ice cover vary with aerosol loading and composition in different surface and meteorological conditions, how the composition and concentration of arctic aerosols and cloud microphysical properties vary annually and interannually, and how cloud-aerosol-radiative interactions can be better represented in models with varying temporal and spatial scales. These needs can be addressed in two ways. First, there is a need for comprehensive and routine aircraft, UAV and tethered balloon measurements in the presence of ground, air or space-based remote sensors over a variety of surface and meteorological conditions. Second, planned observational campaigns (the Measurements of Aerosols Radiation and Clouds over the Southern Oceans MARCUS and the Southern Oceans Cloud Radiation Transport Experimental Study SOCRATES

First principle study of transport properties of a graphene nano structure

NASA Astrophysics Data System (ADS)

Kumar, Naveen; Sharma, Munish; Sharma, Jyoti Dhar; Ahluwalia, P. K.

2013-06-01

The first principle quantum transport calculations have been performed for graphene using Tran SIESTA which calculates transport properties using nonequilibrium Green's function method in conjunction with density-functional theory. Transmission functions, electron density of states and current-voltage characteristic have been calculated for a graphene nano structure using graphene electrodes. Transmission function, density of states and projected density of states show a discrete band structure which varies with applied voltage. The value of current is very low for applied voltage between 0.0 V to 5.0 V and lies in the range of pico ampere. In the V-I characteristic current shows non-linear fluctuating pattern with increase in voltage.

Observation of Critical-Gradient Behavior in Alfvén-Eigenmode-Induced Fast-Ion Transport.

PubMed

Collins, C S; Heidbrink, W W; Austin, M E; Kramer, G J; Pace, D C; Petty, C C; Stagner, L; Van Zeeland, M A; White, R B; Zhu, Y B

2016-03-04

Experiments in the DIII-D tokamak show that fast-ion transport suddenly becomes stiff above a critical threshold in the presence of many overlapping small-amplitude Alfvén eigenmodes (AEs). The threshold is phase-space dependent and occurs when particle orbits become stochastic due to resonances with AEs. Above threshold, equilibrium fast-ion density profiles are unchanged despite increased drive, and intermittent fast-ion losses are observed. Fast-ion Dα spectroscopy indicates radially localized transport of the copassing population at radii that correspond to the location of midcore AEs. The observation of stiff fast-ion transport suggests that reduced models can be used to effectively predict alpha profiles, beam ion profiles, and losses to aid in the design of optimized scenarios for future burning plasma devices.

Computer programs for thermodynamic and transport properties of hydrogen (tabcode-II)

NASA Technical Reports Server (NTRS)

Roder, H. M.; Mccarty, R. D.; Hall, W. J.

1972-01-01

The thermodynamic and transport properties of para and equilibrium hydrogen have been programmed into a series of computer routines. Input variables are the pair's pressure-temperature and pressure-enthalpy. The programs cover the range from 1 to 5000 psia with temperatures from the triple point to 6000 R or enthalpies from minus 130 BTU/lb to 25,000 BTU/lb. Output variables are enthalpy or temperature, density, entropy, thermal conductivity, viscosity, at constant volume, the heat capacity ratio, and a heat transfer parameter. Property values on the liquid and vapor boundaries are conveniently obtained through two small routines. The programs achieve high speed by using linear interpolation in a grid of precomputed points which define the surface of the property returned.

A method of examining the structure and topological properties of public-transport networks

NASA Astrophysics Data System (ADS)

Dimitrov, Stavri Dimitri; Ceder, Avishai (Avi)

2016-06-01

This work presents a new method of examining the structure of public-transport networks (PTNs) and analyzes their topological properties through a combination of computer programming, statistical data and large-network analyses. In order to automate the extraction, processing and exporting of data, a software program was developed allowing to extract the needed data from General Transit Feed Specification, thus overcoming difficulties occurring in accessing and collecting data. The proposed method was applied to a real-life PTN in Auckland, New Zealand, with the purpose of examining whether it showed characteristics of scale-free networks and exhibited features of ;small-world; networks. As a result, new regression equations were derived analytically describing observed, strong, non-linear relationships among the probabilities of randomly chosen stops in the PTN to be serviced by a given number of routes. The established dependence is best fitted by an exponential rather than a power-law function, showing that the PTN examined is neither random nor scale-free, but a mixture of the two. This finding explains the presence of hubs that are not typical of exponential networks and simultaneously not highly connected to the other nodes as is the case with scale-free networks. On the other hand, the observed values of the topological properties of the network show that although it is highly clustered, owing to its representation as a directed graph, it differs slightly from ;small-world; networks, which are characterized by strong clustering and a short average path length.

Correlations among magnetic, electrical and magneto-transport properties of NiFe nanohole arrays.

PubMed

Leitao, D C; Ventura, J; Teixeira, J M; Sousa, C T; Pinto, S; Sousa, J B; Michalik, J M; De Teresa, J M; Vazquez, M; Araujo, J P

2013-02-13

In this work, we use anodic aluminum oxide (AAO) templates to build NiFe magnetic nanohole arrays. We perform a thorough study of their magnetic, electrical and magneto-transport properties (including the resistance R(T), and magnetoresistance MR(T)), enabling us to infer the nanohole film morphology, and the evolution from granular to continuous film with increasing thickness. In fact, different physical behaviors were observed to occur in the thickness range of the study (2 nm < t < 100 nm). For t < 10 nm, an insulator-to-metallic crossover was visible in R(T), pointing to a granular film morphology, and thus being consistent with the presence of electron tunneling mechanisms in the magnetoresistance. Then, for 10 nm < t < 50 nm a metallic R(T) allied with a larger anisotropic magnetoresistance suggests the onset of morphological percolation of the granular film. Finally, for t > 50 nm, a metallic R(T) and only anisotropic magnetoresistance behavior were obtained, characteristic of a continuous thin film. Therefore, by combining simple low-cost bottom-up (templates) and top-down (sputtering deposition) techniques, we are able to obtain customized magnetic nanostructures with well-controlled physical properties, showing nanohole diameters smaller than 35 nm.

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

NASA Astrophysics Data System (ADS)

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.

Electron transport and thermoelectric properties of layered perovskite LaBaCo(2)O(5.5).

PubMed

Kundu, Asish K; Raveau, B; Caignaert, V; Rautama, E-L; Pralong, V

2009-02-04

We have investigated systematically the physical transport properties of layered 112-type cobaltite by means of electrical resistivity, magnetoresistance and thermopower measurements. In order to understand the complex transport mechanism of LaBaCo(2)O(5.5), the data have been analysed using different theoretical models. The compound shows an electronic transition between two semiconducting states around 326 K, which coincides with the ferromagnetic transition. Interestingly, the system also depicts a significant magnetoresistance (MR) effect near the ferro/antiferromagnetic phase boundary and the highest value of MR is close to 5% at 245 K under ± 7 T. The temperature dependence of thermopower, S(T), exhibits p-type conductivity in the 60 K≤T≤320 K range and reaches a maximum value of around 303 µV K(-1) (at 120 K). In the low temperature antiferromagnetic region the unusual S(T) behaviour, generally observed for the cobaltite series LnBaCo(2)O(5.5) (Ln = rare earth), is explained by the electron magnon scattering mechanism.

Parameter and observation importance in modelling virus transport in saturated porous media - Investigations in a homogenous system

USGS Publications Warehouse

Barth, Gilbert R.; Hill, M.C.

2005-01-01

This paper evaluates the importance of seven types of parameters to virus transport: hydraulic conductivity, porosity, dispersivity, sorption rate and distribution coefficient (representing physical-chemical filtration), and in-solution and adsorbed inactivation (representing virus inactivation). The first three parameters relate to subsurface transport in general while the last four, the sorption rate, distribution coefficient, and in-solution and adsorbed inactivation rates, represent the interaction of viruses with the porous medium and their ability to persist. The importance of four types of observations to estimate the virus-transport parameters are evaluated: hydraulic heads, flow, temporal moments of conservative-transport concentrations, and virus concentrations. The evaluations are conducted using one- and two-dimensional homogeneous simulations, designed from published field experiments, and recently developed sensitivity-analysis methods. Sensitivity to the transport-simulation time-step size is used to evaluate the importance of numerical solution difficulties. Results suggest that hydraulic conductivity, porosity, and sorption are most important to virus-transport predictions. Most observation types provide substantial information about hydraulic conductivity and porosity; only virus-concentration observations provide information about sorption and inactivation. The observations are not sufficient to estimate these important parameters uniquely. Even with all observation types, there is extreme parameter correlation between porosity and hydraulic conductivity and between the sorption rate and in-solution inactivation. Parameter estimation was accomplished by fixing values of porosity and in-solution inactivation.

Representative equations for the thermodynamic and transport properties of fluids near the gas-liquid critical point

NASA Technical Reports Server (NTRS)

Sengers, J. V.; Basu, R. S.; Sengers, J. M. H. L.

1981-01-01

A survey is presented of representative equations for various thermophysical properties of fluids in the critical region. Representative equations for the transport properties are included. Semi-empirical modifications of the theoretically predicted asymtotic critical behavior that yield simple and practical representations of the fluid properties in the critical region are emphasized.

Thermodynamic and transport combustion properties of hydrocarbons with air. Part 1: Properties in SI units

NASA Technical Reports Server (NTRS)

Gordon, S.

1982-01-01

Thermodynamic and transport combustion properties were calculated for a wide range of conditions for the reaction of hydrocarbons with air. Three hydrogen-carbon atom ratios (H/C = 1.7, 2.0, 2.1) were selected to represent the range of aircraft fuels. For each of these H/C ratios, combustion properties were calculated for the following conditions: Equivalence ratio: 0, 0.25, 0.5, 0.75, 1.0, 1.25 Water - dry air mass ratio: 0, 0.03 Pressure, kPa: 1.01325, 10.1325, 101.325, 1013.25, 5066.25 (or in atm: 0.01, 0.1, 1, 10, 50) Temperature, K: every 10 degrees from 200 to 900 K; every 50 degrees from 900 to 3000 K Temperature, R: every 20 degrees from 360 to 1600 R; very 100 degrees from 1600 to 5400 R. The properties presented are composition, density, molecular weight, enthalphy, entropy, specific heat at constant pressure, volume derivatives, isentropic exponent, velocity of sound, viscosity, thermal conductivity, and Prandtl number. Property tables are based on composites that were calculated by assuming both: (1) chemical equilibrium (for both homogeneous and heterogeneous phases) and (2) constant compositions for all temperatures. Properties in SI units are presented in this report for the Kelvin temperature schedules.

Quantitative Characterization of the Microstructure and Transport Properties of Biopolymer Networks

PubMed Central

Jiao, Yang; Torquato, Salvatore

2012-01-01

Biopolymer networks are of fundamental importance to many biological processes in normal and tumorous tissues. In this paper, we employ the panoply of theoretical and simulation techniques developed for characterizing heterogeneous materials to quantify the microstructure and effective diffusive transport properties (diffusion coefficient De and mean survival time τ) of collagen type I networks at various collagen concentrations. In particular, we compute the pore-size probability density function P(δ) for the networks and present a variety of analytical estimates of the effective diffusion coefficient De for finite-sized diffusing particles, including the low-density approximation, the Ogston approximation, and the Torquato approximation. The Hashin-Strikman upper bound on the effective diffusion coefficient De and the pore-size lower bound on the mean survival time τ are used as benchmarks to test our analytical approximations and numerical results. Moreover, we generalize the efficient first-passage-time techniques for Brownian-motion simulations in suspensions of spheres to the case of fiber networks and compute the associated effective diffusion coefficient De as well as the mean survival time τ, which is related to nuclear magnetic resonance (NMR) relaxation times. Our numerical results for De are in excellent agreement with analytical results for simple network microstructures, such as periodic arrays of parallel cylinders. Specifically, the Torquato approximation provides the most accurate estimates of De for all collagen concentrations among all of the analytical approximations we consider. We formulate a universal curve for τ for the networks at different collagen concentrations, extending the work of Yeong and Torquato [J. Chem. Phys. 106, 8814 (1997)]. We apply rigorous cross-property relations to estimate the effective bulk modulus of collagen networks from a knowledge of the effective diffusion coefficient computed here. The use of cross-property

On the Transport and Radiative Properties of Plasmas with Small-Scale Electromagnetic Fluctuations

NASA Astrophysics Data System (ADS)

Keenan, Brett D.

Plasmas with sub-Larmor-scale ("small-scale") electromagnetic fluctuations are a feature of a wide variety of high-energy-density environments, and are essential to the description of many astrophysical/laboratory plasma phenomena. Radiation from particles, whether they be relativistic or non-relativistic, moving through small-scale electromagnetic turbulence has spectral characteristics distinct from both synchrotron and cyclotron radiation. The radiation, carrying information on the statistical properties of the turbulence, is also intimately related to the particle diffusive transport. We investigate, both theoretically and numerically, the transport of non-relativistic and transrelativistic particles in plasmas with high-amplitude isotropic sub-Larmor-scale magnetic turbulence---both with and without a mean field component---and its relation to the spectra of radiation simultaneously produced by these particles. Furthermore, the transport of particles through small-scale electromagnetic turbulence---under certain conditions---resembles the random transport of particles---via Coulomb collisions---in collisional plasmas. The pitch-angle diffusion coefficient, which acts as an effective "collision" frequency, may be substantial in these, otherwise, collisionless environments. We show that this effect, colloquially referred to as the plasma "quasi-collisionality", may radically alter the expected radiative transport properties of candidate plasmas. We argue that the modified magneto-optic effects in these plasmas provide an attractive, novel, diagnostic tool for the exploration and characterization of small-scale electromagnetic turbulence. Lastly, we speculate upon the manner in which quasi-collisions may affect inertial confinement fusion (ICF), and other laser-plasma experiments. Finally, we show that mildly relativistic jitter radiation, from laser-produced plasmas, may offer insight into the underlying electromagnetic turbulence. Here we investigate the

Spin dynamics, electronic, and thermal transport properties of two-dimensional CrPS4 single crystal

NASA Astrophysics Data System (ADS)

Pei, Q. L.; Luo, X.; Lin, G. T.; Song, J. Y.; Hu, L.; Zou, Y. M.; Yu, L.; Tong, W.; Song, W. H.; Lu, W. J.; Sun, Y. P.

2016-01-01

2-Dimensional (2D) CrPS4 single crystals have been grown by the chemical vapor transport method. The crystallographic, magnetic, electronic, and thermal transport properties of the single crystals were investigated by the room-temperature X-ray diffraction, electrical resistivity ρ(T), specific heat CP(T), and the electronic spin response (ESR) measurements. CrPS4 crystals crystallize into a monoclinic structure. The electrical resistivity ρ(T) shows a semiconducting behavior with an energy gap Ea = 0.166 eV. The antiferromagnetic transition temperature is about TN = 36 K. The spin flipping induced by the applied magnetic field is observed along the c axis. The magnetic phase diagram of CrPS4 single crystal has been discussed. The extracted magnetic entropy at TN is about 10.8 J/mol K, which is consistent with the theoretical value R ln(2S + 1) for S = 3/2 of the Cr3+ ion. Based on the mean-field theory, the magnetic exchange constants J1 and Jc corresponding to the interactions of the intralayer and between layers are about 0.143 meV and -0.955 meV are obtained based on the fitting of the susceptibility above TN, which agree with the results obtained from the ESR measurements. With the help of the strain for tuning the magnetic properties, monolayer CrPS4 may be a promising candidate to explore 2D magnetic semiconductors.

Rapid Transpacific Transport in Autumn Observed by the A-Train Satellites

NASA Technical Reports Server (NTRS)

Li. Can; Hsu, N. Christina; Krotkov, Nickolay A.; Liang, Qing; Yang, Kai; Tsay, Si-Chee

2011-01-01

Transpacific transport of dust and pollutants is well documented for spring, but less so for other seasons. Here we investigate rapid transpacific transport in autumn utilizing the A-train satellites. In three episodes studied as examples, SO2 plumes over East Asia were detected by the Ozone Monitoring Instrument aboard the Aura satellite, and found to reach North America in 5-6 days. They were likely derived from anthropogenic sources, given that identical transport patterns of CO, a tracer for incomplete combustion, were simultaneously observed by the Aqua satellite. Trajectory analysis and meteorological data were employed to explore the meteorological circumstances surrounding these events: like many of their counterparts in spring, all three plumes were lifted to the free troposphere in warm conveyor belt associated with mid-latitude wave cyclones, and their migration to downwind region was regulated by the meteorology over the East Pacific. These cases provide further evidence that a fraction of S02 could escape wet scavenging, and be transported at much greater efficiency than NOx (NO + N02). An analysis of the S02 and CO data from September to November during 2005-2008 found 16 S02 long-range transport episodes, out of 62 Asian outflow events. While the counts are sensitive to the choice of criteria, they suggest that the long-range transport of Asian sulfur species occurs quite frequently, and could exert strong impacts on large downstream areas. This study also highlights the importance of transpacific transport in autumn, which has thus far been rarely studied and deserves more attention from the community.

Low-temperature transport properties of TaxN thin films (0.72 <= x <= 0.83)

NASA Astrophysics Data System (ADS)

Očko, Miroslav; Žonja, Sanja; Nelson, G. L.; Freericks, J. K.; Yu, Lei; Newman, N.

2010-11-01

We report on low-temperature (4-320 K) transport properties of TaxN thin films deposited on an amorphous SiO2 substrate. In this work, TaxN thin films were restricted to a narrow range of x: 0.72 <= x <= 0.83 yet show considerable and nonmonotonic variation of their transport properties with Ta concentration. This behaviour is consistent with a local minimum in the density of electronic states at the Fermi level, as calculated for the rock salt intermetallic Ta4N5, and a rigid band model for describing the transport. The temperature dependence of the resistivity is best fit to the unusual form exp(-T/T0). Interestingly enough, the fit parameter T0 correlates well with the temperature of the maximum of the corresponding thermopower. Both of these characteristics, the fit and the correlation with the thermopower, are consistent with the Jonson-Mahan many-body formalism for charge and thermal transport when one has a nontrivial temperature dependence of the chemical potential. At the lowest temperatures measured, we have also found that the resistivity and thermopower show signatures of electron-electron interactions. We discuss also our results in the light of some theories usually used for describing transport of thin films and to other experimental investigations that have been performed on TaxN.

Forest fire smoke layers observed in the free troposphere over Portugal with a multiwavelength Raman lidar: optical and microphysical properties.

PubMed

Nepomuceno Pereira, Sérgio; Preißler, Jana; Guerrero-Rascado, Juan Luis; Silva, Ana Maria; Wagner, Frank

2014-01-01

Vertically resolved optical and microphysical properties of biomass burning aerosols, measured in 2011 with a multiwavelength Raman lidar, are presented. The transportation time, within 1-2 days (or less), pointed towards the presence of relatively fresh smoke particles over the site. Some strong layers aloft were observed with particle backscatter and extinction coefficients (at 355 nm) greater than 5 Mm(-1)sr(-1) and close to 300 Mm(-1), respectively. The particle intensive optical properties showed features different from the ones reported for aged smoke, but rather consistent with fresh smoke. The Ångström exponents were generally high, mainly above 1.4, indicating a dominating accumulation mode. Weak depolarization values, as shown by the small depolarization ratio of 5% or lower, were measured. Furthermore, the lidar ratio presented no clear wavelength dependency. The inversion of the lidar signals provided a set of microphysical properties including particle effective radius below 0.2 μm, which is less than values previously observed for aged smoke particles. Real and imaginary parts of refractive index of about 1.5-1.6 and 0.02i, respectively, were derived. The single scattering albedo was in the range between 0.85 and 0.93; these last two quantities indicate the nonnegligible absorbing characteristics of the observed particles.

Distinct transport properties of O2 and CH4 across a carbon nanotube

NASA Astrophysics Data System (ADS)

Meng, Xianwen; Wang, Yu; Zhao, Yanjiao; Huang, Jiping

2013-04-01

It is of fundamental importance to investigate either O2 or CH4 molecules across nanochannels in many areas such as breathing or separation. Thus, many researches have focused on such a single type of molecules across nanochannels. However, O2 and CH4 can often appear together and crucially affect human life, say, in a mine. On the basis of molecular dynamics simulations, here we attempt to investigate the mixture of O2 and CH4, in order to identify their different transport properties in a nanochannel. We take a single-walled carbon nanotube (SWCNT) as a model nanochannel, and find that their transport properties are distinctly different. As the concentration of O2 increases up to a high value of 0.8, it is always faster for CH4 molecules to transport across the SWCNT, and the total number of gas molecules transporting across the SWCNT is decreased. Meanwhile, CH4 molecules are always dominant in the SWCNT, and the total number of O2 or CH4 inside the SWCNT is a constant. By calculating the van der Waals interaction between the SWCNT and O2 or CH4, we find that the net interaction between CH4 and the SWCNT is much stronger. Our findings may offer some hints on how to separate CH4 from O2, and/or store CH4 efficiently.

Lagrangian transport properties of pulmonary interfacial flows

PubMed Central

Smith, Bradford J.; Lukens, Sarah; Yamaguchi, Eiichiro; Gaver, Donald P.

2012-01-01

Disease states characterized by airway fluid occlusion and pulmonary surfactant insufficiency, such as respiratory distress syndrome, have a high mortality rate. Understanding the mechanics of airway reopening, particularly involving surfactant transport, may provide an avenue to increase patient survival via optimized mechanical ventilation waveforms. We model the occluded airway as a liquid-filled rigid tube with the fluid phase displaced by a finger of air that propagates with both mean and sinusoidal velocity components. Finite-time Lyapunov exponent (FTLE) fields are employed to analyse the convective transport characteristics, taking note of Lagrangian coherent structures (LCSs) and their effects on transport. The Lagrangian perspective of these techniques reveals flow characteristics that are not readily apparent by observing Eulerian measures. These analysis techniques are applied to surfactant-free velocity fields determined computationally, with the boundary element method, and measured experimentally with micro particle image velocimetry (μ-PIV). We find that the LCS divides the fluid into two regimes, one advected upstream (into the thin residual film) and the other downstream ahead of the advancing bubble. At higher oscillatory frequencies particles originating immediately inside the LCS experience long residence times at the air–liquid interface, which may be conducive to surfactant transport. At high frequencies a well-mixed attractor region is identified; this volume of fluid cyclically travels along the interface and into the bulk fluid. The Lagrangian analysis is applied to velocity data measured with 0.01 mg ml−1 of the clinical pulmonary surfactant Infasurf in the bulk fluid, demonstrating flow field modifications with respect to the surfactant-free system that were not visible in the Eulerian frame. PMID:23049141

Electrical Transport and Magnetoresistance Properties of Tensile-Strained CaMnO3 Thin Films

NASA Astrophysics Data System (ADS)

Ullery, Dustin; Lawson, Bridget; Zimmerman, William; Neubauer, Samuel; Chaudhry, Adeel; Hart, Cacie; Yong, Grace; Smolyaninova, Vera; Kolagani, Rajeswari

We will present our studies of the electrical transport and magnetoresistance properties of tensile strained CaMnO3 thin films. We observe that the resistivity decreases significantly as the film thickness decreases which is opposite to what is observed in thin films of hole doped manganites. The decrease in resistivity is more pronounced in the films on (100) SrTiO3, with resistivity of the thinnest films being about 3 orders of magnitude lower than that of bulk CaMnO3. Structural changes accompanying resistivity changes cannot be fully explained as due to tensile strain, and indicate the presence of oxygen vacancies. These results also suggest a coupling between tensile strain and oxygen deficiency, consistent with predictions from models based on density functional theory calculations. We observe a change in resistance under the application of moderate magnetic field. Experiments are underway to understand the origin of the magnetoresistance and its possible relation to the tensile strain effects. We acknowledge support from: Towson Office of University Undergraduate Research, Fisher Endowment Grant and Undergraduate Research Grants from the Fisher College of Science and Mathematics, and Seed Funding Grant from the School of Emerging technologies.

MODFLOW-2000 : the U.S. Geological Survey modular ground-water model--documentation of the Advective-Transport Observation (ADV2) Package

USGS Publications Warehouse

Anderman, Evan R.; Hill, Mary Catherine

2001-01-01

Observations of the advective component of contaminant transport in steady-state flow fields can provide important information for the calibration of ground-water flow models. This report documents the Advective-Transport Observation (ADV2) Package, version 2, which allows advective-transport observations to be used in the three-dimensional ground-water flow parameter-estimation model MODFLOW-2000. The ADV2 Package is compatible with some of the features in the Layer-Property Flow and Hydrogeologic-Unit Flow Packages, but is not compatible with the Block-Centered Flow or Generalized Finite-Difference Packages. The particle-tracking routine used in the ADV2 Package duplicates the semi-analytical method of MODPATH, as shown in a sample problem. Particles can be tracked in a forward or backward direction, and effects such as retardation can be simulated through manipulation of the effective-porosity value used to calculate velocity. Particles can be discharged at cells that are considered to be weak sinks, in which the sink applied does not capture all the water flowing into the cell, using one of two criteria: (1) if there is any outflow to a boundary condition such as a well or surface-water feature, or (2) if the outflow exceeds a user specified fraction of the cell budget. Although effective porosity could be included as a parameter in the regression, this capability is not included in this package. The weighted sum-of-squares objective function, which is minimized in the Parameter-Estimation Process, was augmented to include the square of the weighted x-, y-, and z-components of the differences between the simulated and observed advective-front locations at defined times, thereby including the direction of travel as well as the overall travel distance in the calibration process. The sensitivities of the particle movement to the parameters needed to minimize the objective function are calculated for any particle location using the exact sensitivity

Physical Properties of Umbral Dots Observed in Sunspots: A Hinode Observation

NASA Astrophysics Data System (ADS)

Yadav, Rahul; Mathew, Shibu K.

2018-04-01

Umbral dots (UDs) are small-scale bright features observed in the umbral part of sunspots and pores. It is well established that they are manifestations of magnetoconvection phenomena inside umbrae. We study the physical properties of UDs in different sunspots and their dependence on decay rate and filling factor. We have selected high-resolution, G-band continuum filtergrams of seven sunspots from Hinode to study their physical properties. We have also used Michelson Doppler Imager (MDI) continuum images to estimate the decay rate of selected sunspots. An identification and tracking algorithm was developed to identify the UDs in time sequences. The statistical analysis of UDs exhibits an averaged maximum intensity and effective diameter of 0.26 I_{QS} and 270 km. Furthermore, the lifetime, horizontal speed, trajectory length, and displacement length (birth-death distance) of UDs are 8.19 minutes, 0.5 km s-1, 284 km, and 155 km, respectively. We also find a positive correlation between intensity-diameter, intensity-lifetime, and diameter-lifetime of UDs. However, UD properties do not show any significant relation with the decay rate or filling factor.

Transport properties of liquid metal hydrogen under high pressures

NASA Technical Reports Server (NTRS)

Brown, R. C.; March, N. H.

1972-01-01

A theory is developed for the compressibility and transport properties of liquid metallic hydrogen, near to its melting point and under high pressure. The interionic force law is assumed to be of the screened Coulomb type, because hydrogen has no core electrons. The random phase approximation is used to obtain the structure factor S(k) of the system in terms of the Fourier transform of this force law. The long wavelenth limit of the structure factor S(o) is related to the compressibility, which is much lower than that of alkali metals at their melting points. The diffusion constant at the melting point is obtained in terms of the Debye frequency, using a frequency spectrum analogous with the phonon spectrum of a solid. A similar argument is used to obtain the combined shear and bulk viscosities, but these depend also on S(o). The transport coefficients are found to be about the same size as those of alkali metals at their melting points.

Transported African Dust to the Amazon: Physiochemical Properties and Associated Nutrients

NASA Astrophysics Data System (ADS)

Barkley, A.; Blackwelder, P. L.; Prospero, J. M.; Gaston, C.

2017-12-01

African dust plays an essential role in fertilizing both oceanic and terrestrial ecosystems by supplying vital biological nutrients such as iron and phosphorus. During Boreal winter, large quantities of African dust are transported across the Atlantic Ocean to the Amazon Basin. It is thought that the Bodélé Depression, part of Paleolake Mega Chad, serves as a major source of this dust, although its importance is debated. The soil in this topographical depression contains a distinctive blend of fluvial and diatomaceous sediments that are thought to supply the Amazon with the nutrients necessary to maintain soil fertility. However, the composition and physical properties of dust transported to the Amazon remain under-explored. Here we present measurements of the size, morphology, and chemical composition of transported dust collected in Cayenne, French Guiana and soil samples collected from the Bodélé Depression using scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). Inductively coupled plasma mass spectrometry and soluble phosphorus measurements were also performed to investigate the nutrient profiles of filters collected during different air mass transport conditions. In addition to mineral dust, SEM revealed the presence of whole and fragmented freshwater diatoms transported from the Bodélé Depression, or other ephemeral African paleolakes, that were mixed with dust containing iron oxides and micronutrient-rich authigenic clays. Interestingly, transported diatoms were found to the be the largest transported particles with diameters well above 10 μm (up to 70 μm). The low density and high surface-to-volume ratios of diatoms could allow a longer range transport than dust of a comparable size. Therefore, the diatoms could act as a vehicle by which higher micronutrient fluxes could be transported to the Amazon.

Influence of Oxidation in Starting Material Sn on Electric Transport Properties of SnSe Single Crystals

NASA Astrophysics Data System (ADS)

Yamashita, Aichi; Ogiso, Osamu; Matsumoto, Ryo; Tanaka, Masashi; Hara, Hiroshi; Tanaka, Hiromi; Takeya, Hiroyuki; Lee, Chul-Ho; Takano, Yoshihiko

2018-06-01

We found that the electronic transport property of SnSe single crystals was sensitively affected by oxidation in raw Sn. Semiconducting SnSe single crystals were obtained by using Sn of grain form as a starting material while powder Sn resulted in metallic SnSe. X-ray photoelectron spectroscopy analysis revealed that the surfaces of raw Sn were oxidized, which volume fraction is lower in grain Sn. This indicates that the amount of oxygen in raw Sn is the key factor for the electronic transport property of SnSe.

Combined NMR and molecular dynamics modeling study of transport properties in sulfonamide based deep eutectic lithium electrolytes: LiTFSI based binary systems.

PubMed

Pauric, Allen D; Halalay, Ion C; Goward, Gillian R

2016-03-07

The trend toward Li-ion batteries operating at increased (>4.3 V vs. Li/Li(+)) voltages requires the development of novel classes of lithium electrolytes with electrochemical stability windows exceeding those of LiPF6/carbonate electrolyte solutions. Several new classes of electrolytes have been synthesized and investigated over the past decade, in the search for LIB electrolytes with improved properties (increased hydrolytic stability, improved thermal abuse tolerance, higher oxidation voltages, etc.) compared with the present state-of-the-art LiPF6 and organic carbonates-based formulations. Among these are deep eutectic electrolytes (DEEs), which share many beneficial characteristics with ionic liquids, such as low vapor pressure and large electrochemical stability windows, with the added advantage of a significantly higher lithium transference number. The present work presents the pulsed field gradient NMR characterization of the transport properties (diffusion coefficients and cation transport numbers) of binary DEEs consisting of a sulfonamide solvent and lithium bis(trifluoromethanesulfonyl)imide salt. Insights into the structural and dynamical properties, which enable one to rationalize the observed ionic conductivity behavior were obtained from a combination of NMR data and MD simulations. The insights thus gained should assist the formulation of novel DEEs with improved properties for LIB applications.

Correlation of microstructure and thermo-mechanical properties of a novel hydrogen transport membrane

NASA Astrophysics Data System (ADS)

Zhang, Yongjun

A key part of the FutureGen concept is to support the production of hydrogen to fuel a "hydrogen economy," with the use of clean burning hydrogen in power-producing fuel cells, as well as for use as a transportation fuel. One of the key technical barriers to FutureGen deployment is reliable and efficient hydrogen separation technology. Most Hydrogen Transport Membrane (HTM) research currently focuses on separation technology and hydrogen flux characterization. No significant work has been performed on thermo-mechanical properties of HTMs. The objective of the thesis is to understand the structure-property correlation of HTM and to characterize (1) thermo mechanical properties under different reducing environments and thermal cycles (thermal shock), and (2) evaluate the stability of the novel HTM material. A novel HTM cermet bulk sample was characterized for its physical and mechanical properties at both room temperature and at elevated temperature up to 1000°C. Micro-structural properties and residual stresses were evaluated in order to understand the changing mechanism of the microstructure and its effects on the mechanical properties of materials. A correlation of the microstructural and thermo mechanical properties of the HTM system was established for both HTM and the substrate material. Mechanical properties of both selected structural ceramics and the novel HTM cermet bulk sample are affected mainly by porosity and microstructural features, such as grain size and pore size-distribution. The Young's Modulus (E-value) is positively correlated to the flexural strength for materials with similar crystallographic structure. However, for different crystallographic materials, physical properties are independent of mechanical properties. Microstructural properties, particularly, grain size and crystallographic structure, and thermodynamic properties are the main factors affecting the mechanical properties at both room and high temperatures. The HTM cermet behaves

Red Cell Properties after Different Modes of Blood Transportation

PubMed Central

Makhro, Asya; Huisjes, Rick; Verhagen, Liesbeth P.; Mañú-Pereira, María del Mar; Llaudet-Planas, Esther; Petkova-Kirova, Polina; Wang, Jue; Eichler, Hermann; Bogdanova, Anna; van Wijk, Richard; Vives-Corrons, Joan-Lluís; Kaestner, Lars

2016-01-01

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 extent 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 h of simulated shipment conditions. Three different anticoagulants (K3EDTA, Sodium Heparin, and citrate-based CPDA) for two temperatures (4°C 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 parameters 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 4°C. Whereas plasma and intraerythrocytic Ca2+ cannot be accurately measured in the presence of chelators such as citrate and EDTA, the majority of Ca2+-dependent parameters are stabilized in CPDA samples. Even in blood samples from healthy donors transported using an optimized shipment protocol, the majority of parameters were stable within 24 h, a condition that may not hold for the samples of patients with rare anemias. This implies for as short as possible shipping using fast courier services to the closest expert laboratory at reach. Mobile laboratories or the travel of the patients to

Transport properties of coupled quantum dots in the presence of phonons

NASA Astrophysics Data System (ADS)

Martins, G.; Al-Hassanieh, K.

2005-03-01

Here is presented the numerical study of the effect of Holstein phonons in the transport properties of two coupled quantum dots (QDs) in the Kondo regime. For the QDs we use the Anderson impurity model and each QD is coupled to a different Holstein mode. At T=0, in the absence of phonons, and with 1 electron per dot, the usual splitting of the Kondo resonance is observed.^1 When the QDs are coupled to the phonons, there is a reduction of the effective Coulomb repulsion, which is explained through a canonical transformation. In addition, the conductance at the electron-hole symmetric gate potential is not affected by the phonons. This is caused by the modulation of the coupling factors.^2 The difference between the effects of phonons in lithographic QDs and in molecular conductors is also discussed. 1- C.A. Büsser et al, Phys. Rev. B 62, 9907 (2000). 2- K.A. Al-Hassanieh, C.A. Büsser, G.B. Martins, Adriana Moreo and Elbio Dagotto (preprint)

Electronic Transport Properties of One Dimensional Zno Nanowires Studied Using Maximally-Localized Wannier Functions

NASA Astrophysics Data System (ADS)

Sun, Xu; Gu, Yousong; Wang, Xueqiang

2012-08-01

One dimensional ZnO NWs with different diameters and lengths have been investigated using density functional theory (DFT) and Maximally Localized Wannier Functions (MLWFs). It is found that ZnO NWs are direct band gap semiconductors and there exist a turn on voltage for observable current. ZnO nanowires with different diameters and lengths show distinctive turn-on voltage thresholds in I-V characteristics curves. The diameters of ZnO NWs are greatly influent the transport properties of ZnO NWs. For the ZnO NW with large diameter that has more states and higher transmission coefficients leads to narrow band gap and low turn on voltage. In the case of thinner diameters, the length of ZnO NW can effects the electron tunneling and longer supercell lead to higher turn on voltage.

Influence of water and membrane microstructure on the transport properties of proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Siu, Ana Rosa

Proton transport in proton exchange membranes (PEMs) depends on interaction between water and acid groups covalently bound to the polymer. Although the presence of water is important in maintaining the PEM's functions, a thorough understanding of this topic is still lacking. The objective of this work is to provide a better understanding of how the nature water, confined to ionic domains of the polymer, influences the membrane's ability to transport protons, methanol and water. Understanding this topic will facilitate development of new materials with favorable transport properties for fuel cells use. Five classes of polymer membranes were used in this work: polyacrylonitrile-graft-poly(styrenesulfonic) acid (PAN-g-macPSSA); poly(vinylidene difluoride) irradiation-graft-poly(styrenesulfonic) acid (PVDF-g-PSSA); poly(ethylenetetrafluoroethylene) irradiation-graft-poly(styrenesulfonic) acid (ETFE-gPSSA); PVDF-g-PSSA with hydroxyethylmethacrylate (HEMA); and perfluorosulfonic acid membrane (Nafion). The nature of water within the polymers (freezable versus non-freezable states) was measured by systematically freezing samples, and observing the temperature at which water freezes and the amount of heat released in the process. Freezing water-swollen membranes resulted in a 4-fold decrease in the proton conductivity of the PEM. Activation energies of proton transport before and after freezing were ˜ 0.15 eV and 0.5 eV, consistent with proton transport through liquid water and bound water, respectively. Reducing the content of water in membrane samples decreased the amount of freezable and non-freezable water. Calorimetric measurements of membranes in various degrees of hydration showed that water molecules became non-freezable when lambda, (water molecules per sulfonic acid group) was less than ˜14. Proton conduction through membranes containing only non-freezable water was demonstrated to be feasible. Diffusion experiments showed that the permeability of methanol

Strain-modulated electronic and thermal transport properties of two-dimensional O-silica.

PubMed

Han, Yang; Qin, Guangzhao; Jungemann, Christoph; Hu, Ming

2016-07-01

Silica is one of the most abundant materials in the Earth's crust and is a remarkably versatile and important engineering material in various modern science and technology. Recently, freestanding and well-ordered two-dimensional (2D) silica monolayers with octahedral (O-silica) building blocks were found to be theoretically stable by (Wang G et al 2015 J. Phys. Chem. C 119 15654-60). In this paper, by performing first-principles calculations, we systematically investigated the electronic and thermal transport properties of 2D O-silica and also studied how these properties can be tuned by simple mechanical stretching. Unstrained 2D O-silica is an insulator with an indirect band gap of 6.536 eV. The band gap decreases considerably with bilateral strain up to 29%, at which point a semiconductor-metal transition occurs. More importantly, the in-plane thermal conductivity of freestanding 2D O-silica is found to be unusually high, which is around 40 to 50 times higher than that of bulk α-quartz and more than two orders of magnitude higher than that of amorphous silica. The thermal conductivity of O-silica decreases by almost two orders of magnitude when the bilateral stretching strain reaches 10%. By analyzing the mode-dependent phonon properties and phonon-scattering channel, the phonon lifetime is found to be the dominant factor that leads to the dramatic decrease of the lattice thermal conductivity under strain. The very sensitive response of both band gap and phonon transport properties to the external mechanical strain will enable 2D O-silica to easily adapt to the different environment of realistic applications. Our study is expected to stimulate experimental exploration of further physical and chemical properties of 2D silica systems, and offers perspectives on modulating the electronic and thermal properties of related low-dimensional structures for applications such as thermoelectric, photovoltaic, and optoelectronic devices.

Spatial and thickness dependence of coupling interaction of surface states and influence on transport and optical properties of few-layer Bi2Se3

NASA Astrophysics Data System (ADS)

Li, Zhongjun; Chen, Shi; Sun, Jiuyu; Li, Xingxing; Qiu, Huaili; Yang, Jinlong

2018-02-01

Coupling interaction between the bottom and top surface electronic states and the influence on transport and optical properties of Bi2Se3 thin films with 1-8 quintuple layers (QLs) have been investigated by first principles calculations. Obvious spatial and thickness dependences of coupling interaction are found by analyzing hybridization of two surface states. In the thin film with a certain thickness, from the outer to inner atomic layers, the coupling interaction exhibits an increasing trend. On the other hand, as thickness increases, the coupling interaction shows a disproportionate decrease trend. Moreover, the system with 3 QLs exhibits stronger interaction than that with 2 QLs. The presence of coupling interaction would suppress destructive interference of surface states and enhance resistance in various degrees. In view of the inversely proportional relation to transport channel width, the resistance of thin films should show disproportionate thickness dependence. This prediction is qualitatively consistent with the transport measurements at low temperature. Furthermore, the optical properties also exhibit obvious thickness dependence. Especially as the thickness increases, the coupling interaction results in red and blue shifts of the multiple-peak structures in low and high energy regions of imaginary dielectric function, respectively. The red shift trend is in agreement with the recent experimental observation and the blue shift is firstly predicted by the present calculation. The present results give a concrete understanding of transport and optical properties in devices based on Bi2Se3 thin films with few QLs.

Electronic transport properties of suspended few-nm black phosphorus nanoribbons

NASA Astrophysics Data System (ADS)

Masih Das, Paul; Danda, Gopinath; Cupo, Andrew; Jothi Thiruraman, Priyanka; Meunier, Vincent; Drndic, Marija

Theoretical studies of few-nm wide black phosphorus nanoribbons have revealed highly tunable, width-dependent properties such as modulation of bandgap magnitude and carrier mobility. Due to the atmospheric instability of black phosphorus in the few-layer regime and a lack of suitable lithographic patterning techniques, these structures have yet to be reported. Here, we demonstrate the fabrication of few-nm wide and thick black phosphorus nanoribbons via in situ electron beam nanosculpting. We also present in situ orientation- and width-dependent two-terminal electronic transport measurements of these structures. These measurements yield valuable insight into the semiconducting properties of black phosphorus and its associated lower-dimensional nanostructures. NIH Grant R21HG007856, NSF Grant EFRI 2-DARE (EFRI-1542707).

Electrical transport properties of small diameter single-walled carbon nanotubes aligned on ST-cut quartz substrates

PubMed Central

2014-01-01

A method is introduced to isolate and measure the electrical transport properties of individual single-walled carbon nanotubes (SWNTs) aligned on an ST-cut quartz, from room temperature down to 2 K. The diameter and chirality of the measured SWNTs are accurately defined from Raman spectroscopy and atomic force microscopy (AFM). A significant up-shift in the G-band of the resonance Raman spectra of the SWNTs is observed, which increases with increasing SWNTs diameter, and indicates a strong interaction with the quartz substrate. A semiconducting SWNT, with diameter 0.84 nm, shows Tomonaga-Luttinger liquid and Coulomb blockade behaviors at low temperatures. Another semiconducting SWNT, with a thinner diameter of 0.68 nm, exhibits a transition from the semiconducting state to an insulating state at low temperatures. These results elucidate some of the electrical properties of SWNTs in this unique configuration and help pave the way towards prospective device applications. PMID:25170326

Temperature dependent dielectric properties and ion transportation in solid polymer electrolyte for lithium ion batteries

NASA Astrophysics Data System (ADS)

Sengwa, R. J.; Dhatarwal, Priyanka; Choudhary, Shobhna

2016-05-01

Solid polymer electrolyte (SPE) film consisted of poly(ethylene oxide) (PEO) and poly(methyl methacrylate) (PMMA) blend matrix with lithium tetrafluroborate (LiBF4) as dopant ionic salt and poly(ethylene glycol) (PEG) as plasticizer has been prepared by solution casting method followed by melt pressing. Dielectric properties and ionic conductivity of the SPE film at different temperatures have been determined by dielectric relaxation spectroscopy. It has been observed that the dc ionic conductivity of the SPE film increases with increase of temperature and also the decrease of relaxation time. The temperature dependent relaxation time and ionic conductivity values of the electrolyte are governed by the Arrhenius relation. Correlation observed between dc conductivity and relaxation time confirms that ion transportation occurs with polymer chain segmental dynamics through hopping mechanism. The room temperature ionic conductivity is found to be 4 × 10-6 S cm-1 which suggests the suitability of the SPE film for rechargeable lithium batteries.

Temperature dependent dielectric properties and ion transportation in solid polymer electrolyte for lithium ion batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sengwa, R. J., E-mail: rjsengwa@rediffmail.com; Dhatarwal, Priyanka, E-mail: dhatarwalpriyanka@gmail.com; Choudhary, Shobhna, E-mail: shobhnachoudhary@rediffmail.com

2016-05-06

Solid polymer electrolyte (SPE) film consisted of poly(ethylene oxide) (PEO) and poly(methyl methacrylate) (PMMA) blend matrix with lithium tetrafluroborate (LiBF{sub 4}) as dopant ionic salt and poly(ethylene glycol) (PEG) as plasticizer has been prepared by solution casting method followed by melt pressing. Dielectric properties and ionic conductivity of the SPE film at different temperatures have been determined by dielectric relaxation spectroscopy. It has been observed that the dc ionic conductivity of the SPE film increases with increase of temperature and also the decrease of relaxation time. The temperature dependent relaxation time and ionic conductivity values of the electrolyte are governedmore » by the Arrhenius relation. Correlation observed between dc conductivity and relaxation time confirms that ion transportation occurs with polymer chain segmental dynamics through hopping mechanism. The room temperature ionic conductivity is found to be 4 × 10{sup −6} S cm{sup −1} which suggests the suitability of the SPE film for rechargeable lithium batteries.« less

Definitions of differences and changes in peritoneal membrane water transport properties.

PubMed

Widerøe, T E; Smeby, L C; Dahl, K; Jörstad, S

1988-06-01

A survey is given comparing measurements of transperitoneal water transport in different clinical situations with analyses based on the so-called "pore theory." This model links the measured changes to physical alterations of the peritoneal membrane. The calculations include "equivalent pore radius," effective "membrane area" and diffusive length, the transport resistance of the unstirred dialysate layer, and the residual intraperitoneal volume after dialysate drainage. The clinical appearances include individual differences in transperitoneal transport characteristics, changes in transperitoneal transport over time on continuous ambulatory peritoneal dialysis (CAPD) and during peritonitis, the pharmacological effect on the transport properties, and the effect of peritoneal catheter dislocation on ultrafiltration capacity. The main conclusions are as follow: During CAPD treatment the measurement of intraperitoneal solute equilibration and "mass-transfer-area coefficients" for urea and creatinine is less sensitive than the measurement of ultrafiltration volume in revealing peritoneal membrane changes. Differences and changes found have mostly a combined physical explanation, but one is more or less dominant. Changes in peritoneal membrane area seem to be the most dominant cause of changes in transperitoneal transport during time on CAPD and when sodium nitroprusside was added to the peritoneal dialysate. Changes during peritonitis can be explained by changes in pore radius and depth. Individual differences can be explained by differences in "membrane" area and in resistance of the unstirred dialysate fluid. High residual dialysate volume can give rise to clinical problems and should be considered when placing the catheter in the peritoneal cavity.

Transport Properties of the Nuclear Pasta Phase with Quantum Molecular Dynamics

NASA Astrophysics Data System (ADS)

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.

Electronic, thermoelectric and transport properties of cesium cadmium trifluoride: A DFT study

NASA Astrophysics Data System (ADS)

Abraham, Jisha Annie; Pagare, G.; Sanyal, Sankar P.

2018-04-01

The full potential linearized augmented plane wave method based on density functional theory is employed to investigate the electronic structure of CsCdF3. The electronic properties of this compound have been studied from the band structure plot and density of states. The presence of indirect energy gap reveals its insulating nature. Using constant relaxation time, the electrical conductivity, electronic thermal conductivity, Seebeck coefficient and figure of merit are calculated by using Boltzmann transport theory. We have also studied the temperature dependence of thermoelectric properties of this compound.

Strain Modulation of Electronic and Heat Transport Properties of Bilayer Boronitrene

NASA Astrophysics Data System (ADS)

Yang, Ming; Sun, Fang-Yuan; Wang, Rui-Ning; Zhang, Hang; Tang, Da-Wei

2017-10-01

Strain engineering has been proven as an effective approach to modify electronic and thermal properties of materials. Recently, strain effects on two-dimensional materials have become important relevant topics in this field. We performed density functional theory studies on the electronic and heat transport properties of bilayer boronitrene samples under an isotropic strain. We demonstrate that the strain will reduce the band gap width but keep the band gap type robust and direct. The strain will enhance the thermal conductivity of the system because of the increase in specific heat. The thermal conductivity was studied as a function of the phonon mean-free path.

Electrical properties of polycrystalline olivine: evidence for grain boundary transport

NASA Astrophysics Data System (ADS)

Ten Grotenhuis, S. M.; Drury, M. R.; Peach, C. J.; Spiers, C. J.

2003-12-01

The physical and chemical properties of grain boundaries are known to play an important role in determining the electrical properties of polycrystalline oxides. Grain boundaries can either enhance conductivity if the transport of charge carriers along the grain boundaries is faster than through the lattice, or grain boundaries can reduce conductivity if the grain boundaries block the transport of charge carriers. The purpose of the experiments presented here is to deduce the mechanisms responsible for electrical conductivity in fine-grained forsterite, the Mg-end member of olivine, in order to get a better understanding of the contribution of grain boundary transport, of the properties of the grain boundaries, and to determine any relation between grain size and conductivity. A relationship between grain size and conductivity at high temperature could potentially be used to interpret zones of anomalous conductivity in the upper mantle. The materials studied consist of fine-grained forsterite (Mg2SiO4) with a minor amount (5%) of enstatite (MgSiO3) added. The electrical conductivity of three melt-free synthetic polycrystalline samples, with grain sizes between 1.1 and 4.7 mm, was measured at temperatures up to 1470° C. The complex impedance plots display one clear arc, indicating a single dominant conduction mechanism. Bulk conductivity is inversely proportional to the grain size of the different samples. This relation suggests that grain boundary diffusion of the charge carriers is controlling the electrical conductivity of the samples. The activation energy for diffusion of the charge carriers lies between 315 and 323 kJ/mol. This resembles previous data on grain boundary diffusion of Mg in forsterite and grain boundary diffusion creep. A geometrical model of less conducting cubic grains and more conducting grain boundaries agrees well with the experimental data. This model is applied to a natural mantle shear zone to predict the conductivity contrast between

Transport properties in dilute UN (X ) solid solutions (X =Xe ,Kr )

NASA Astrophysics Data System (ADS)

Claisse, Antoine; Schuler, Thomas; Lopes, Denise Adorno; Olsson, Pär

2016-11-01

Uranium nitride (UN) is a candidate fuel for current GEN III fission reactors, for which it is investigated as an accident-tolerant fuel, as well as for future GEN IV reactors. In this study, we investigate the kinetic properties of gas fission products (Xe and Kr) in UN. Binding and migration energies are obtained using density functional theory, with an added Hubbard correlation to model f electrons, and the occupation matrix control scheme to avoid metastable states. These energies are then used as input for the self-consistent mean field method which enables to determine transport coefficients for vacancy-mediated diffusion of Xe and Kr on the U sublattice. The magnetic ordering of the UN structure is explicitly taken into account, for both energetic and transport properties. Solute diffusivities are compared with experimental measurements and the effect of various parameters on the theoretical model is carefully investigated. We find that kinetic correlations are very strong in this system, and that despite atomic migration anisotropy, macroscopic solute diffusivities show limited anisotropy. Our model indicates that the discrepancy between experimental measurements probably results from different irradiation conditions, and hence different defect concentrations.

Observation of internal transport barrier in ELMy H-mode plasmas on the EAST tokamak

NASA Astrophysics Data System (ADS)

Yang, Y.; Gao, X.; Liu, H. Q.; Li, G. Q.; Zhang, T.; Zeng, L.; Liu, Y. K.; Wu, M. Q.; Kong, D. F.; Ming, T. F.; Han, X.; Wang, Y. M.; Zang, Q.; Lyu, B.; Li, Y. Y.; Duan, Y. M.; Zhong, F. B.; Li, K.; Xu, L. Q.; Gong, X. Z.; Sun, Y. W.; Qian, J. P.; Ding, B. J.; Liu, Z. X.; Liu, F. K.; Hu, C. D.; Xiang, N.; Liang, Y. F.; Zhang, X. D.; Wan, B. N.; Li, J. G.; Wan, Y. X.; EAST Team

2017-08-01

The internal transport barrier (ITB) has been obtained in ELMy H-mode plasmas by neutron beam injection and lower hybrid wave heating on the Experimental Advanced Superconducting Tokamak (EAST). The ITB structure has been observed in profiles of ion temperature, electron temperature, and electron density within ρ < 0.5. It was also observed that the ITB formation is stepwise. Due to the ITB formation, the confinement quality H 98y2 increases from 1 to 1.1 and the normalized beta, β N, increases from 1.5 to near 2. The fishbone activity observed during the ITB phase suggests the central safety factor q(0) ˜ 1. Transport coefficients are calculated by particle balance and power balance analysis, showing an obvious reduction after the ITB formation.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lord, David; Luketa, Anay; Wocken, Chad

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 crudemore » 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« less

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

NASA Astrophysics Data System (ADS)

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.

The effect of mineral dust transport on PM10 concentrations and physical properties in Istanbul during 2007-2014

NASA Astrophysics Data System (ADS)

Flores, Rosa M.; Kaya, Nefel; Eşer, Övgü; Saltan, Şehnaz

2017-11-01

Mineral dust is the most significant source of natural particulate matter. In urban regions, where > 50% of the world population is currently living, local emissions of particulate matter are further aggravated by mineral dust loadings from deserts. The megacity of Istanbul is located in an area sensitive to local pollution due to transportation (i.e., private cars, public transportation, aircrafts, ships, heavy diesel trucks, etc.), industrial emissions, residential heating, and long-range transport from Europe, Asia, and deserts. In this work, the effect of desert dust transport on PM10 concentrations and physical properties was investigated for the period of 2007-2014 in the touristic area of Aksaray, Istanbul. The Dust Regional Atmospheric Model (DREAM8b) was used to predict dust loading in Istanbul during dust transport events. Variations on surface PM10 concentrations were investigated according to seasons and during dust transport events. Cluster analysis of air mass backward trajectories was useful to understand frequency analysis and air mass trajectory dependence of PM10 concentrations on dust loadings. The effect of desert dust transport on aerosol optical depths was also investigated. It was observed that PM10 concentrations exceeded the air quality standard of 50 μg m- 3 50% of the time during the study period. The largest number of exceedances in air quality standard occurred during the spring and winter seasons. Approximately 40-60% of the dust loading occurs during the spring. Desert dust and non-desert dust sources contribute to 22-72% and 48-81% of the ground-level PM10 concentrations in Aksaray, Istanbul during the study period. Averaged AOD observed during dust transport events in spring and summer ranged 0.35-0.55. Cluster analysis resolved over 82% the variability of individual air mass backward trajectories into 5 clusters. Overall, air masses arriving to Istanbul at 500 m are equally distributed into northern (52%) and southern (48

Asymmetric nanopore membranes: Single molecule detection and unique transport properties

NASA Astrophysics Data System (ADS)

Bishop, Gregory William

Biological systems rely on the transport properties of transmembrane channels. Such pores can display selective transport by allowing the passage of certain ions or molecules while rejecting others. Recent advances in nanoscale fabrication have allowed the production of synthetic analogs of such channels. Synthetic nanopores (pores with a limiting dimension of 1--100 nm) can be produced in a variety of materials by several different methods. In the Martin group, we have been exploring the track-etch method to produce asymmetric nanopores in thin films of polymeric or crystalline materials. Asymmetric nanopores are of particular interest due to their ability to serve as ion-current rectifiers. This means that when a membrane that contains such a pore or collection of pores is used to separate identical portions of electrolyte solution, the magnitude of the ionic current will depend not only on the magnitude of the applied potential (as expected) but also the polarity. Ion-current rectification is characterized by an asymmetric current--potential response. Here, the interesting transport properties of asymmetric nanopores (ion-current rectification and the related phenomenon of electroosmotic flow rectification) are explored. The effects of pore shape and pore density on these phenomena are investigated. Membranes that contain a single nanopore can serve as platforms for the single-molecule sensing technique known as resistive pulse sensing. The resistive-pulse sensing method is based on the Coulter principle. Thus, the selectivity of the technique is based largely upon size, making the analysis of mixtures by this method difficult in many cases. Here, the surface of a single nanopore membrane is modified with a molecular recognition agent in an attempt to obtain a more selective resistive-pulse sensor for a specific analyte.

Quantum transport properties of carbon nanotube field-effect transistors with electron-phonon coupling

NASA Astrophysics Data System (ADS)

Ishii, Hiroyuki; Kobayashi, Nobuhiko; Hirose, Kenji

2007-11-01

We investigated the electron-phonon coupling effects on the electronic transport properties of metallic (5,5)- and semiconducting (10,0)-carbon nanotube devices. We calculated the conductance and mobility of the carbon nanotubes with micron-order lengths at room temperature, using the time-dependent wave-packet approach based on the Kubo-Greenwood formula within a tight-binding approximation. We investigated the scattering effects of both longitudinal acoustic and optical phonon modes on the transport properties. The electron-optical phonon coupling decreases the conductance around the Fermi energy for the metallic carbon nanotubes, while the conductance of semiconductor nanotubes is decreased around the band edges by the acoustic phonons. Furthermore, we studied the Schottky-barrier effects on the mobility of the semiconducting carbon nanotube field-effect transistors for various gate voltages. We clarified how the electron mobilities of the devices are changed by the acoustic phonon.

Transport temperatures observed during the commercial transportation of animals.

PubMed

Fiore, Gianluca; Hofherr, Johann; Natale, Fabrizio; Mainetti, Sergio; Ruotolo, Espedito

2012-01-01

Current temperature standards and those proposed by the European Food Safety Authority (EFSA) were compared with the actual practices of commercial transport in the European Union. Temperature and humidity records recorded for a year on 21 vehicles over 905 journeys were analysed. Differences in temperature and humidity recorded by sensors at four different positions in the vehicles exceeded 10°C between the highest and lowest temperatures in nearly 7% of cases. The number and position of temperature sensors are important to ensure the correct representation of temperature conditions in the different parts of a vehicle. For all journeys and all animal categories, a relatively high percentage of beyond threshold temperatures can be observed in relation to the temperature limits of 30°C and 5°C. Most recorded temperature values lie within the accepted tolerance of ±5°C stipulated in European Community Regulation (EC) 1/2005. The temperature thresholds proposed by EFSA would result in a higher percentage of non-compliant conditions which are more pronounced at the lower threshold, compared to the thresholds laid down in Regulation (EC) 1/2005. With respect to the different animal categories, the non-compliant temperature occurrences were more frequent in pigs and sheep, in particular with regard to the thresholds proposed by EFSA.

Nonequilibrium generalised Langevin equation for the calculation of heat transport properties in model 1D atomic chains coupled to two 3D thermal baths.

PubMed

Ness, H; Stella, L; Lorenz, C D; Kantorovich, L

2017-04-28

We use a generalised Langevin equation scheme to study the thermal transport of low dimensional systems. In this approach, the central classical region is connected to two realistic thermal baths kept at two different temperatures [H. Ness et al., Phys. Rev. B 93, 174303 (2016)]. We consider model Al systems, i.e., one-dimensional atomic chains connected to three-dimensional baths. The thermal transport properties are studied as a function of the chain length N and the temperature difference ΔT between the baths. We calculate the transport properties both in the linear response regime and in the non-linear regime. Two different laws are obtained for the linear conductance versus the length of the chains. For large temperatures (T≳500 K) and temperature differences (ΔT≳500 K), the chains, with N>18 atoms, present a diffusive transport regime with the presence of a temperature gradient across the system. For lower temperatures (T≲500 K) and temperature differences (ΔT≲400 K), a regime similar to the ballistic regime is observed. Such a ballistic-like regime is also obtained for shorter chains (N≤15). Our detailed analysis suggests that the behaviour at higher temperatures and temperature differences is mainly due to anharmonic effects within the long chains.

Investigation of transport properties of FeTe compound

NASA Astrophysics Data System (ADS)

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.

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

NASA Astrophysics Data System (ADS)

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.

Studies of Trace Gas Chemical Cycles Using Observations, Inverse Methods and Global Chemical Transport Models

NASA Technical Reports Server (NTRS)

Prinn, Ronald G.

2001-01-01

For interpreting observational data, and in particular for use in inverse methods, accurate and realistic chemical transport models are essential. Toward this end we have, in recent years, helped develop and utilize a number of three-dimensional models including the Model for Atmospheric Transport and Chemistry (MATCH).

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

PubMed Central

Haussener, Sophia; Steinfeld, Aldo

2012-01-01

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. PMID:28817039

Thermodynamic and transport properties of frozen and reacting pH2-oH2 mixtures

NASA Technical Reports Server (NTRS)

Carter, H. G.; Bullock, R. E.

1972-01-01

Application of experimental state data and spectroscopic term values shows that the thermodynamic and transport properties of reacting pH2-oH2 mixtures are considerably different than those of chemically frozen pH2 at temperatures below 300 R. Calculated H-S data also show that radiation-induced pH2-oH2 equilibration at constant enthalpy produces a temperature drop of at least 28 R, corresponding to an ideal shaft work loss of 15% or more for a turbine operating downstream from the point of conversion. Aside from differences in thermodynamic and transport properties, frozen pH2-oH2 mixtures may differ from pure pH2 on a purely hydrodynamical basis.

Observing golden-mean universality class in the scaling of thermal transport.

PubMed

Xiong, Daxing

2018-02-01

We address the issue of whether the golden-mean [ψ=(sqrt[5]+1)/2≃1.618] universality class, as predicted by several theoretical models, can be observed in the dynamical scaling of thermal transport. Remarkably, we show strong evidence that ψ appears to be the scaling exponent of heat mode correlation in a purely quartic anharmonic chain. This observation seems to somewhat deviate from the previous expectation and we explain it by the unusual slow decay of the cross correlation between heat and sound modes. Whenever the cubic anharmonicity is included, this cross correlation gradually dies out and another universality class with scaling exponent γ=5/3, as commonly predicted by theories, seems recovered. However, this recovery is accompanied by two interesting phase transition processes characterized by a change of symmetry of the potential and a clear variation of the dynamic structure factor, respectively. Due to these transitions, an additional exponent close to γ≃1.580 emerges. All this evidence suggests that, to gain a full prediction of the scaling of thermal transport, more ingredients should be taken into account.

Observing golden-mean universality class in the scaling of thermal transport

NASA Astrophysics Data System (ADS)

Xiong, Daxing

2018-02-01

We address the issue of whether the golden-mean [ψ =(√{5 }+1 ) /2 ≃1.618 ] universality class, as predicted by several theoretical models, can be observed in the dynamical scaling of thermal transport. Remarkably, we show strong evidence that ψ appears to be the scaling exponent of heat mode correlation in a purely quartic anharmonic chain. This observation seems to somewhat deviate from the previous expectation and we explain it by the unusual slow decay of the cross correlation between heat and sound modes. Whenever the cubic anharmonicity is included, this cross correlation gradually dies out and another universality class with scaling exponent γ =5 /3 , as commonly predicted by theories, seems recovered. However, this recovery is accompanied by two interesting phase transition processes characterized by a change of symmetry of the potential and a clear variation of the dynamic structure factor, respectively. Due to these transitions, an additional exponent close to γ ≃1.580 emerges. All this evidence suggests that, to gain a full prediction of the scaling of thermal transport, more ingredients should be taken into account.

Observation of regional air pollutant transport between the megacity Beijing and the North China Plain

NASA Astrophysics Data System (ADS)

Li, Yingruo; Ye, Chunxiang; Liu, Jun; Zhu, Yi; Wang, Junxia; Tan, Ziqiang; Lin, Weili; Zeng, Limin; Zhu, Tong

2016-11-01

Megacities have strong interactions with the surrounding regions through transport of air pollutants. It has been frequently addressed that the air quality of Beijing is influenced by the influx of air pollutants from the North China Plain (NCP). Estimations of air pollutant cross-boundary transport between Beijing and the NCP are important for air quality management. However, evaluation of cross-boundary transport using long-term observations is very limited. Using the observational results of the gaseous pollutants SO2, NO, NO2, O3, and CO from August 2006 to October 2008 at the Yufa site, a cross-boundary site between the megacity Beijing and the NCP, together with meteorological parameters, we explored a method for evaluating the transport flux intensities at Yufa, as part of the "Campaign of Air Quality Research in Beijing and Surrounding Region 2006-2008" (CAREBeijing 2006-2008). The hourly mean ± SD (median) concentration of SO2, NO, NO2, NOx, O3, Ox, and CO was 15 ± 16 (9) ppb, 12 ± 25 (3) ppb, 24 ± 19 (20) ppb, 36 ± 39 (23) ppb, 28 ± 27 (21) ppb, 52 ± 24 (45) ppb, and 1.6 ± 1.4 (1.2) ppm during the observation period, respectively. The bivariate polar plots showed the dependence of pollutant concentrations on both wind speed and wind direction, and thus inferred their dominant transport directions. Surface flux intensity calculations further demonstrated the regional transport influence of Beijing and the NCP on Yufa. The net surface transport flux intensity (mean ± SD) of SO2, NO, NO2, NOx, O3, Ox, and CO was 6.2 ± 89.5, -4.3 ± 29.5, -0.6 ± 72.3, -4.9 ± 93.0, 14.7 ± 187.8, 14.8 ± 234.9, and 70 ± 2830 µg s-1 m-2 during the observation period, respectively. For SO2, CO, O3, and Ox the surface flux intensities from the NCP to Yufa surpassed those from Beijing to Yufa in all seasons except winter, with the strongest net fluxes largely in summer, which were about 4-8 times those of other seasons. The surface transport flux intensity of NOx

Moisture storage and transport properties of preservative treated and untreated southern pine wood

Treesearch

Samuel L. Zelinka; Samuel V. Glass; Charles R. Boardman; Dominique Derome

2016-01-01

Moisture storage and transport properties of southern pine (Pinus spp.) wood were measured for implementation into hygrothermal models. Specimens were untreated or pressure-treated with alkaline copper quaternary (ACQ) preservative. Moisture storage was characterized with sorption isotherms in the hygroscopic region (high capillary pressures) and...

Fluorescein transport properties across artificial lipid membranes, Caco-2 cell monolayers and rat jejunum.

PubMed

Berginc, Katja; Zakelj, Simon; Levstik, Lea; Ursic, Darko; Kristl, Albin

2007-05-01

Membrane transport characteristics of a paracellular permeability marker fluorescein were evaluated using artificial membrane, Caco-2 cell monolayers and rat jejunum, all mounted in side-by-side diffusion cells. Modified Ringer buffers with varied pH values were applied as incubation salines on both sides of artificial membrane, cell culture monolayers or rat jejunum. Passive transport according to pH partition theory was determined using all three permeability models. In addition to that, active transport of fluorescein in the M-S (mucosal-to-serosal) direction through rat jejunum was observed. The highest M-S P(app) values regarding the active transport through the rat jejunum were observed in incubation saline with pH 6.5. Fluorescein transport through the rat jejunum was inhibited by DIDS (4,4'-diisothiocyanatostilbene-2,2'-disulfonic acid) and alpha-CHC (alpha-cyano-4-hydroxycinnamic acid). Thus, we assume that two pH-dependent influx transporters could be involved in the fluorescein membrane transport through the intestinal (jejunal) epithelium. One is very likely an MCT (monocarboxylic acid cotransporter) isoform, inhibited by specific MCT inhibitor alpha-CHC, while the involvement of the second one with overlapping substrate/inhibitor specificities (most probably a member of the organic anion-transporting polypeptide family, inhibited at least partially by DIDS) could not be excluded.

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

NASA Astrophysics Data System (ADS)

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.

Fundamental Properties of Co-moving Stars Observed by Gaia

NASA Astrophysics Data System (ADS)

Bochanski, John J.; Faherty, Jacqueline K.; Gagné, Jonathan; Nelson, Olivia; Coker, Kristina; Smithka, Iliya; Desir, Deion; Vasquez, Chelsea

2018-04-01

We have estimated fundamental parameters for a sample of co-moving stars observed by Gaia and identified by Oh et al. We matched the Gaia observations to the 2MASS and Wide-Field Infrared Survey Explorer catalogs and fit MIST isochrones to the data, deriving estimates of the mass, radius, [Fe/H], age, distance, and extinction to 9754 stars in the original sample of 10606 stars. We verify these estimates by comparing our new results to previous analyses of nearby stars, examining fiducial cluster properties, and estimating the power-law slope of the local present-day mass function. A comparison to previous studies suggests that our mass estimates are robust, while metallicity and age estimates are increasingly uncertain. We use our calculated masses to examine the properties of binaries in the sample and show that separation of the pairs dominates the observed binding energies and expected lifetimes.

Properties of Turbulence in the Reconnection Exhaust: Numerical Simulations Compared with Observations

NASA Astrophysics Data System (ADS)

Pucci, F.; Servidio, S.; Sorriso-Valvo, L.; Olshevsky, V.; Matthaeus, W. H.; Malara, F.; Goldman, M. V.; Newman, D. L.; Lapenta, G.

2017-05-01

The properties of the turbulence that develops in the outflows of magnetic reconnection have been investigated using self-consistent plasma simulations, in three dimensions. As commonly observed in space plasmas, magnetic reconnection is characterized by the presence of turbulence. Here we provide a direct comparison of our simulations with reported observations of reconnection events in the magnetotail, investigating the properties of the electromagnetic field and the energy conversion mechanisms. In particular, simulations show the development of a turbulent cascade consistent with spacecraft observations, statistics of the dissipation mechanisms in the turbulent outflows similar to the ones observed in reconnection jets in the magnetotail, and that the properties of turbulence vary as a function of the distance from the reconnecting X-line.

Properties of turbulence in the reconnection exhaust: numerical simulations compared with observations

NASA Astrophysics Data System (ADS)

Pucci, Francesco; Servidio, Sergio; Sorriso-Valvo, Luca; Olshevsky, Vyacheslav; Matthaeus, William; Malara, Francesco; Goldman, Martin; Newman, David; Lapenta, Giovanni

2017-04-01

The properties of the turbulence which develops in the outflows of magnetic reconnection have been investigated using self-consistent plasma simulations, in three dimensions. As commonly observed in space plasmas, magnetic reconnection is characterized by the presence of turbulence. Here we provide a direct comparison of our simulations with observations of reconnection event in the magnetotail investigating the properties of the electromagnetic field and the energy conversion mechanisms. In particular, simulations show: the development of a turbulent cascade consistent with spacecraft observations, statistics of the the dissipation mechanisms in the turbulent outflows similar to the one observed in reconnection jets in the magnetotail, and that the properties of turbulence vary as a function of the distance from the reconnecting X-line.

Properties of Turbulence in the Reconnection Exhaust: Numerical Simulations Compared with Observations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pucci, F.; Olshevsky, V.; Lapenta, G.

2017-05-20

The properties of the turbulence that develops in the outflows of magnetic reconnection have been investigated using self-consistent plasma simulations, in three dimensions. As commonly observed in space plasmas, magnetic reconnection is characterized by the presence of turbulence. Here we provide a direct comparison of our simulations with reported observations of reconnection events in the magnetotail, investigating the properties of the electromagnetic field and the energy conversion mechanisms. In particular, simulations show the development of a turbulent cascade consistent with spacecraft observations, statistics of the dissipation mechanisms in the turbulent outflows similar to the ones observed in reconnection jets inmore » the magnetotail, and that the properties of turbulence vary as a function of the distance from the reconnecting X-line.« less

Intra-tumoral heterogeneity of gemcitabine delivery and mass transport in human pancreatic cancer

NASA Astrophysics Data System (ADS)

Koay, Eugene J.; Baio, Flavio E.; Ondari, Alexander; Truty, Mark J.; Cristini, Vittorio; Thomas, Ryan M.; Chen, Rong; Chatterjee, Deyali; Kang, Ya'an; Zhang, Joy; Court, Laurence; Bhosale, Priya R.; Tamm, Eric P.; Qayyum, Aliya; Crane, Christopher H.; Javle, Milind; Katz, Matthew H.; Gottumukkala, Vijaya N.; Rozner, Marc A.; Shen, Haifa; Lee, Jeffrey E.; Wang, Huamin; Chen, Yuling; Plunkett, William; Abbruzzese, James L.; Wolff, Robert A.; Maitra, Anirban; Ferrari, Mauro; Varadhachary, Gauri R.; Fleming, Jason B.

2014-12-01

There is substantial heterogeneity in the clinical behavior of pancreatic cancer and in its response to therapy. Some of this variation may be due to differences in delivery of cytotoxic therapies between patients and within individual tumors. Indeed, in 12 patients with resectable pancreatic cancer, we previously demonstrated wide inter-patient variability in the delivery of gemcitabine as well as in the mass transport properties of tumors as measured by computed tomography (CT) scans. However, the variability of drug delivery and transport properties within pancreatic tumors is currently unknown. Here, we analyzed regional measurements of gemcitabine DNA incorporation in the tumors of the same 12 patients to understand the degree of intra-tumoral heterogeneity of drug delivery. We also developed a volumetric segmentation approach to measure mass transport properties from the CT scans of these patients and tested inter-observer agreement with this new methodology. Our results demonstrate significant heterogeneity of gemcitabine delivery within individual pancreatic tumors and across the patient cohort, with gemcitabine DNA incorporation in the inner portion of the tumors ranging from 38 to 74% of the total. Similarly, the CT-derived mass transport properties of the tumors had a high degree of heterogeneity, ranging from minimal difference to almost 200% difference between inner and outer portions of the tumor. Our quantitative method to derive transport properties from CT scans demonstrated less than 5% difference in gemcitabine prediction at the average CT-derived transport value across observers. These data illustrate significant inter-patient and intra-tumoral heterogeneity in the delivery of gemcitabine, and highlight how this variability can be reproducibly accounted for using principles of mass transport. With further validation as a biophysical marker, transport properties of tumors may be useful in patient selection for therapy and prediction of

Observational Properties of Coronal Mass Ejections

DTIC Science & Technology

2006-01-01

speeds 2.5. Masses and Energies of CMEs exceeded 2000 km s-1; the fastest CME speed measured thus far was 2657 km s-1 on 4 November 2000. When compiled The...accelerated. The average deceleration of the fastest (> 900 km s-1) The CME kinetic energies can also be calculated from the CME group is -16 m s-2...OBSERVATIONAL PROPERTIES OF CORONAL MASS EJECTIONS 15 *"...... .. ’..’... ... ’...... kinetic energy is 2.4 x 1030 ergs (5.0 x 1029 ergs) [Vourlidas, 2004

Blowing Snow Sublimation and Transport over Antarctica from 11 Years of CALIPSO Observations

NASA Technical Reports Server (NTRS)

Palm, Stephen P.; Kayetha, Vinay; Yang, Yuekui; Pauly, Rebecca

2017-01-01

Blowing snow processes commonly occur over the earth's ice sheets when the 10 mile wind speed exceeds a threshold value. These processes play a key role in the sublimation and redistribution of snow thereby influencing the surface mass balance. Prior field studies and modeling results have shown the importance of blowing snow sublimation and transport on the surface mass budget and hydrological cycle of high-latitude regions. For the first time, we present continent-wide estimates of blowing snow sublimation and transport over Antarctica for the period 2006-2016 based on direct observation of blowing snow events. We use an improved version of the blowing snow detection algorithm developed for previous work that uses atmospheric backscatter measurements obtained from the CALIOP (Cloud-Aerosol Lidar with Orthogonal Polarization) lidar aboard the CALIPSO (Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation) satellite. The blowing snow events identified by CALIPSO and meteorological fields from MERRA-2 are used to compute the blowing snow sublimation and transport rates. Our results show that maximum sublimation occurs along and slightly inland of the coastline. This is contrary to the observed maximum blowing snow frequency which occurs over the interior. The associated temperature and moisture reanalysis fields likely contribute to the spatial distribution of the maximum sublimation values. However, the spatial pattern of the sublimation rate over Antarctica is consistent with modeling studies and precipitation estimates. Overall, our results show that the 2006-2016 Antarctica average integrated blowing snow sublimation is about 393 +/- 196 Gt yr(exp -1), which is considerably larger than previous model-derived estimates. We find maximum blowing snow transport amount of 5 Mt km-1 yr(exp -1) over parts of East Antarctica and estimate that the average snow transport from continent to ocean is about 3.7 Gt yr(exp -1). These continent-wide estimates are the

Titan's aerosol optical properties with VIMS observations at the limb

NASA Astrophysics Data System (ADS)

Rannou, Pascal; Seignovert, Benoit; Le Mouelic, Stephane; Sotin, Christophe

2016-06-01

The study of Titan properties with remote sensing relies on a good knowledge of the atmosphere properties. The in-situ observations made by Huygens combined with recent advances in the definition of methane properties enable to model and interpret observations with a very good accuracy. Thanks to these progresses, we can analyze in this work the observations made at the limb of Titan in order to retrieve information on the haze properties as its vertical profiles but also the spectral behaviour between 0.88 and 5.2 µm. To study the haze layer and more generally the source of opacities in the stratosphere, we use some observation made at the limb of Titan by the VIMS instrument onboard Cassini. We used a model in spherical geometry and in single scattering, and we accounted for the multiple scattering with a parallel plane model that evaluate the multiple scattering source function at the plane of the limb. Our scope is to retrieve informations about the vertical distribution of the haze, its spectral properties, but also to obtain details about the shape of the methane windows to desantangle the role of the methane and of the aerosols. We started our study at the latitude of 55°N, with a image taken in 2006 with a relatively high spatial resolution (for VIMS). Our preliminary results shows the spectral properties of the aerosols are the same whatever the altitude. This is a consequence of the large scale mixing. From limb profile between 0.9 and 5.2 µm, we can probe the haze layer from about 500 km (at 0.9 µm) to the ground (at 5.2 µm). We find that the vertical profile of the haze layer shows three distinct scale heights with transitions around 250 km and 350 km. We also clearly a transition around 70-90 km that may be due to the top of a condensation layer.

Physical properties of Moving Magnetic Features observed around a pore

NASA Astrophysics Data System (ADS)

Criscuoli, S.; Del Moro, D.; Giannattasio, F.; Viticchié, B.; Giorgi, F.; Ermolli, I.; Zuccarello, F.; Berrilli, F.

2012-06-01

Movies of magnetograms of sunspots often show small-size magnetic patches that move radially away and seem to be expelled from the field of the spot. These patches are named Moving Magnetic Features (MMFs). They have been mostly observed around spots and have been interpreted as manifestations of penumbral filaments. Nevertheless, few observations of MMFS streaming out from spots without penumbra have been reported. He we investigate the physical properties of MMFs observed around the field of a pore derived by the analyses of high spectral, spatial and temporal resolution data acquired at the Dunn Solar Telescope with IBIS. We find that the main properties of the investigated features agree with those reported for MMFs observed around regular spots. These results indicate that an improvement of current numerical simulations is required to understand the generation of MMFs in the lack of penumbrae.

Optical and Transport Properties of Organic Molecules: Methods and Applications

NASA Astrophysics Data System (ADS)

Strubbe, David Alan

Organic molecules are versatile and tunable building blocks for technology, in nanoscale and bulk devices. In this dissertation, I will consider some important applications for organic molecules involving optical and transport properties, and develop methods and software appropriate for theoretical calculations of these properties. Specifically, we will consider second-harmonic generation, a nonlinear optical process; photoisomerization, in which absorption of light leads to mechanical motion; charge transport in junctions formed of single molecules; and optical excitations in pentacene, an organic semiconductor with applications in photovoltaics, optoelectronics, and flexible electronics. In the Introduction (Chapter 1), I will give an overview of some phenomenology about organic molecules and these application areas, and discuss the basics of the theoretical methodology I will use: density-functional theory (DFT), time-dependent density-functional theory (TDDFT), and many-body perturbation theory based on the GW approximation. In the subsequent chapters, I will further discuss, develop, and apply this methodology. 2. I will give a pedagogical derivation of the methods for calculating response properties in TDDFT, with particular focus on the Sternheimer equation, as will be used in subsequent chapters. I will review the many different response properties that can be calculated (dynamic and static) and the appropriate perturbations used to calculate them. 3. Standard techniques for calculating response use either integer occupations (as appropriate for a system with an energy gap) or fractional occupations due to a smearing function, used to improve convergence for metallic systems. I will present a generalization which can be used to compute response for a system with arbitrary fractional occupations. 4. Chloroform (CHCl3) is a small molecule commonly used as a solvent in measurements of nonlinear optics. I computed its hyperpolarizability for second

Intellectual property : a handbook for employees of the Virginia Department of Transportation, August 2005.

DOT National Transportation Integrated Search

2005-08-01

Because intellectual property is a dynamic field of law, this handbook is neither a : comprehensive guide nor an accurate predictor of legal developments. This handbook : is merely an effort by the Virginia Transportation Research Council to provide ...

Band Structures and Transport Properties of High-Performance Half-Heusler Thermoelectric Materials by First Principles.

PubMed

Fang, Teng; Zhao, Xinbing; Zhu, Tiejun

2018-05-19

Half-Heusler (HH) compounds, with a valence electron count of 8 or 18, have gained popularity as promising high-temperature thermoelectric (TE) materials due to their excellent electrical properties, robust mechanical capabilities, and good high-temperature thermal stability. With the help of first-principles calculations, great progress has been made in half-Heusler thermoelectric materials. In this review, we summarize some representative theoretical work on band structures and transport properties of HH compounds. We introduce how basic band-structure calculations are used to investigate the atomic disorder in n-type M NiSb ( M = Ti, Zr, Hf) compounds and guide the band engineering to enhance TE performance in p-type Fe R Sb ( R = V, Nb) based systems. The calculations on electrical transport properties, especially the scattering time, and lattice thermal conductivities are also demonstrated. The outlook for future research directions of first-principles calculations on HH TE materials is also discussed.

Band Structures and Transport Properties of High-Performance Half-Heusler Thermoelectric Materials by First Principles

PubMed Central

Fang, Teng; Zhao, Xinbing

2018-01-01

Half-Heusler (HH) compounds, with a valence electron count of 8 or 18, have gained popularity as promising high-temperature thermoelectric (TE) materials due to their excellent electrical properties, robust mechanical capabilities, and good high-temperature thermal stability. With the help of first-principles calculations, great progress has been made in half-Heusler thermoelectric materials. In this review, we summarize some representative theoretical work on band structures and transport properties of HH compounds. We introduce how basic band-structure calculations are used to investigate the atomic disorder in n-type MNiSb (M = Ti, Zr, Hf) compounds and guide the band engineering to enhance TE performance in p-type FeRSb (R = V, Nb) based systems. The calculations on electrical transport properties, especially the scattering time, and lattice thermal conductivities are also demonstrated. The outlook for future research directions of first-principles calculations on HH TE materials is also discussed. PMID:29783759

Correlation and transport properties for mixtures at constant pressure and temperature

NASA Astrophysics Data System (ADS)

White, Alexander J.; Collins, Lee A.; Kress, Joel D.; Ticknor, Christopher; Clérouin, Jean; Arnault, Philippe; Desbiens, Nicolas

2017-06-01

Transport properties of mixtures of elements in the dense plasma regime play an important role in natural astrophysical and experimental systems, e.g., inertial confinement fusion. We present a series of orbital-free molecular dynamics simulations on dense plasma mixtures with comparison to a global pseudo ion in jellium model. Hydrogen is mixed with elements of increasingly high atomic number (lithium, carbon, aluminum, copper, and silver) at a fixed temperature of 100 eV and constant pressure set by pure hydrogen at 2 g/cm 3 , namely, 370 Mbars. We compute ionic transport coefficients, such as self-diffusion, mutual diffusion, and viscosity for various concentrations. Small concentrations of the heavy atoms significantly change the density of the plasma and decrease the transport coefficients. The structure of the mixture evidences a strong Coulomb coupling between heavy ions and the appearance of a broad correlation peak at short distances between hydrogen atoms. The concept of an effective one component plasma is used to quantify the overcorrelation of the light element induced by the admixture of a heavy element.

Observation and analysis of water inherent optical properties

NASA Astrophysics Data System (ADS)

Sun, Deyong; Li, Yunmei; Le, Chengfeng; Huang, Changchun

2008-03-01

Inherent optical property is an important part of water optical properties, and is the foundation of water color analytical model establishment. Through quantity filter technology (QFT) and backscattering meter BB9 (WETlabs Inc), absorption coefficients of CDOM, total suspended minerals and backscattering coefficients of total suspended minerals had been observed in Meiliang Bay of Taihu lake at summer and winter respectively. After analyzing the spectral characteristics of absorption and backscattering coefficients, the differences between two seasons had been illustrated adequately, and the reasons for the phenomena, which are related to the changes of water quality coefficient, had also been explained. So water environment states can be reflected by inherent optical properties. In addition, the relationship models between backscattering coefficients and suspended particle concentrations had been established, which can support coefficients for analytical models.

Direct observation of electrogenic NH4(+) transport in ammonium transport (Amt) proteins.

PubMed

Wacker, Tobias; Garcia-Celma, Juan J; Lewe, Philipp; Andrade, Susana L A

2014-07-08

Ammonium transport (Amt) proteins form a ubiquitous family of integral membrane proteins that specifically shuttle ammonium across membranes. In prokaryotes, archaea, and plants, Amts are used as environmental NH4(+) scavengers for uptake and assimilation of nitrogen. In the eukaryotic homologs, the Rhesus proteins, NH4(+)/NH3 transport is used instead in acid-base and pH homeostasis in kidney or NH4(+)/NH3 (and eventually CO2) detoxification in erythrocytes. Crystal structures and variant proteins are available, but the inherent challenges associated with the unambiguous identification of substrate and monitoring of transport events severely inhibit further progress in the field. Here we report a reliable in vitro assay that allows us to quantify the electrogenic capacity of Amt proteins. Using solid-supported membrane (SSM)-based electrophysiology, we have investigated the three Amt orthologs from the euryarchaeon Archaeoglobus fulgidus. Af-Amt1 and Af-Amt3 are electrogenic and transport the ammonium and methylammonium cation with high specificity. Transport is pH-dependent, with a steep decline at pH values of ∼5.0. Despite significant sequence homologies, functional differences between the three proteins became apparent. SSM electrophysiology provides a long-sought-after functional assay for the ubiquitous ammonium transporters.

Direct observation of electrogenic NH4+ transport in ammonium transport (Amt) proteins

PubMed Central

Wacker, Tobias; Garcia-Celma, Juan J.; Lewe, Philipp; Andrade, Susana L. A.

2014-01-01

Ammonium transport (Amt) proteins form a ubiquitous family of integral membrane proteins that specifically shuttle ammonium across membranes. In prokaryotes, archaea, and plants, Amts are used as environmental NH4+ scavengers for uptake and assimilation of nitrogen. In the eukaryotic homologs, the Rhesus proteins, NH4+/NH3 transport is used instead in acid–base and pH homeostasis in kidney or NH4+/NH3 (and eventually CO2) detoxification in erythrocytes. Crystal structures and variant proteins are available, but the inherent challenges associated with the unambiguous identification of substrate and monitoring of transport events severely inhibit further progress in the field. Here we report a reliable in vitro assay that allows us to quantify the electrogenic capacity of Amt proteins. Using solid-supported membrane (SSM)-based electrophysiology, we have investigated the three Amt orthologs from the euryarchaeon Archaeoglobus fulgidus. Af-Amt1 and Af-Amt3 are electrogenic and transport the ammonium and methylammonium cation with high specificity. Transport is pH-dependent, with a steep decline at pH values of ∼5.0. Despite significant sequence homologies, functional differences between the three proteins became apparent. SSM electrophysiology provides a long-sought-after functional assay for the ubiquitous ammonium transporters. PMID:24958855

Effects of polymer graft properties on protein adsorption and transport in ion exchange chromatography: a multiscale modeling study.

PubMed

Basconi, Joseph E; Carta, Giorgio; Shirts, Michael R

2015-04-14

Multiscale simulation is used to study the adsorption of lysozyme onto ion exchangers obtained by grafting charged polymers into a porous matrix, in systems with various polymer properties and strengths of electrostatic interaction. Molecular dynamics simulations show that protein partitioning into the polymer-filled pore space increases with the overall charge content of the polymers, while the diffusivity in the pore space decreases. However, the combination of greatly increased partitioning and modestly decreased diffusion results in macroscopic transport rates that increase as a function of charge content, as the large concentration driving force due to enhanced pore space partitioning outweighs the reduction in the pore space diffusivity. Matrices having greater charge associated with the grafted polymers also exhibit more diffuse intraparticle concentration profiles during transient adsorption. In systems with a high charge content per polymer and a low protein loading, the polymers preferentially partition toward the surface due to favorable interactions with the surface-bound protein. These results demonstrate the potential of multiscale modeling to illuminate qualitative trends between molecular properties and the adsorption equilibria and kinetic properties observable on macroscopic scales.

Intellectual property : a handbook for employees of the Virginia Department of Transportation, August 2006.

DOT National Transportation Integrated Search

2006-01-01

Because intellectual property is a dynamic field of law, this handbook is neither a comprehensive guide nor an accurate predictor of legal developments. This handbook is merely an effort by the Virginia Transportation Research Council to provide VDOT...

Intellectual property : a handbook for employees of the Virginia Department of Transportation, March 2002.

DOT National Transportation Integrated Search

2002-01-01

Because intellectual property is a dynamic field of law, this handbook is neither a comprehensive guide nor an accurate predictor of legal developments. The handbook is an effort by the Virginia Transportation Research Council to provide VDOT employe...

Magneto-ballistic transport in GaN nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Santoruvo, Giovanni, E-mail: giovanni.santoruvo@epfl.ch; Allain, Adrien; Ovchinnikov, Dmitry

2016-09-05

The ballistic filtering property of nanoscale crosses was used to investigate the effect of perpendicular magnetic fields on the ballistic transport of electrons on wide band-gap GaN heterostructures. The straight scattering-less trajectory of electrons was modified by a perpendicular magnetic field which produced a strong non-linear behavior in the measured output voltage of the ballistic filters and allowed the observation of semi-classical and quantum effects, such as quenching of the Hall resistance and manifestation of the last plateau, in excellent agreement with the theoretical predictions. A large measured phase coherence length of 190 nm allowed the observation of universal quantum fluctuationsmore » and weak localization of electrons due to quantum interference up to ∼25 K. This work also reveals the prospect of wide band-gap GaN semiconductors as a platform for basic transport and quantum studies, whose properties allow the investigation of ballistic transport and quantum phenomena at much larger voltages and temperatures than in other semiconductors.« less

Observed bottom boundary layer transport and uplift on the continental shelf adjacent to a western boundary current

NASA Astrophysics Data System (ADS)

Schaeffer, A.; Roughan, M.; Wood, J. E.

2014-08-01

Western boundary currents strongly influence the dynamics on the adjacent continental shelf and in particular the cross-shelf transport and uplift through the bottom boundary layer. Four years of moored in situ observations on the narrow southeastern Australian shelf (in water depths of between 65 and 140 m) were used to investigate bottom cross-shelf transport, both upstream (30°S) and downstream (34°S) of the separation zone of the East Australian Current (EAC). Bottom transport was estimated and assessed against Ekman theory, showing consistent results for a number of different formulations of the boundary layer thickness. Net bottom cross-shelf transport was onshore at all locations. Ekman theory indicates that up to 64% of the transport variability is driven by the along-shelf bottom stress. Onshore transport in the bottom boundary layer was more intense and frequent upstream than downstream, occurring 64% of the time at 30°S. Wind-driven surface Ekman transport estimates did not balance the bottom cross-shelf flow. At both locations, strong variability was found in bottom water transport at periods of approximately 90-100 days. This corresponds with periodicity in EAC fluctuations and eddy shedding as evidenced from altimeter observations, highlighting the EAC as a driver of variability in the continental shelf waters. Ocean glider and HF radar observations were used to identify the bio-physical response to an EAC encroachment event, resulting in a strong onshore bottom flow, the uplift of cold slope water, and elevated coastal chlorophyll concentrations.

Strain-modulated electronic and thermal transport properties of two-dimensional O-silica

NASA Astrophysics Data System (ADS)

Han, Yang; Qin, Guangzhao; Jungemann, Christoph; Hu, Ming

2016-07-01

Silica is one of the most abundant materials in the Earth’s crust and is a remarkably versatile and important engineering material in various modern science and technology. Recently, freestanding and well-ordered two-dimensional (2D) silica monolayers with octahedral (O-silica) building blocks were found to be theoretically stable by (Wang G et al 2015 J. Phys. Chem. C 119 15654-60). In this paper, by performing first-principles calculations, we systematically investigated the electronic and thermal transport properties of 2D O-silica and also studied how these properties can be tuned by simple mechanical stretching. Unstrained 2D O-silica is an insulator with an indirect band gap of 6.536 eV. The band gap decreases considerably with bilateral strain up to 29%, at which point a semiconductor-metal transition occurs. More importantly, the in-plane thermal conductivity of freestanding 2D O-silica is found to be unusually high, which is around 40 to 50 times higher than that of bulk α-quartz and more than two orders of magnitude higher than that of amorphous silica. The thermal conductivity of O-silica decreases by almost two orders of magnitude when the bilateral stretching strain reaches 10%. By analyzing the mode-dependent phonon properties and phonon-scattering channel, the phonon lifetime is found to be the dominant factor that leads to the dramatic decrease of the lattice thermal conductivity under strain. The very sensitive response of both band gap and phonon transport properties to the external mechanical strain will enable 2D O-silica to easily adapt to the different environment of realistic applications. Our study is expected to stimulate experimental exploration of further physical and chemical properties of 2D silica systems, and offers perspectives on modulating the electronic and thermal properties of related low-dimensional structures for applications such as thermoelectric, photovoltaic, and optoelectronic devices.

Effects of functional group mass variance on vibrational properties and thermal transport in graphene

DOE PAGES

Lindsay, L.; Kuang, Y.

2017-03-13

Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. We present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first principles calculations. We also use graphane, a buckled graphene backbone with covalently bonded Hydrogen atoms on both sides, as the base material and vary the mass of the Hydrogen atoms to simulate the effect of mass variance from other functional groups. We find non-monotonic behavior of κ with increasing mass of the functional group and an unusual cross-over from acoustic-dominated tomore » optic-dominated thermal transport behavior. We connect this cross-over to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection symmetry based scattering selection rule responsible for their large contributions in graphene. Our work demonstrates the potential for manipulation and engineering of thermal transport properties in two dimensional materials toward targeted applications.« less

Effects of functional group mass variance on vibrational properties and thermal transport in graphene

NASA Astrophysics Data System (ADS)

Lindsay, L.; Kuang, Y.

2017-03-01

Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. Here we present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first-principles calculations. We use graphane, a buckled graphene backbone with covalently bonded hydrogen atoms on both sides, as the base material and vary the mass of the hydrogen atoms to simulate the effect of mass variance from other functional groups. We find nonmonotonic behavior of κ with increasing mass of the functional group and an unusual crossover from acoustic-dominated to optic-dominated thermal transport behavior. We connect this crossover to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection-symmetry-based scattering selection rule responsible for their large contributions in graphene. This work demonstrates the potential for manipulation and engineering of thermal transport properties in two-dimensional materials toward targeted applications.

Effects of functional group mass variance on vibrational properties and thermal transport in graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lindsay, L.; Kuang, Y.

Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. We present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first principles calculations. We also use graphane, a buckled graphene backbone with covalently bonded Hydrogen atoms on both sides, as the base material and vary the mass of the Hydrogen atoms to simulate the effect of mass variance from other functional groups. We find non-monotonic behavior of κ with increasing mass of the functional group and an unusual cross-over from acoustic-dominated tomore » optic-dominated thermal transport behavior. We connect this cross-over to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection symmetry based scattering selection rule responsible for their large contributions in graphene. Our work demonstrates the potential for manipulation and engineering of thermal transport properties in two dimensional materials toward targeted applications.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rockhold, Mark L.; Zhang, Z. F.; Meyer, Philip D.

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 parametersmore » 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.« less

Stacking dependence of carrier transport properties in multilayered black phosphorous

NASA Astrophysics Data System (ADS)

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.

Electrical and thermal transport properties of layered Bi2YO4Cu2Se2

NASA Astrophysics Data System (ADS)

Xiao, Yu; Pei, Yanling; Chang, Cheng; Zhang, Xiao; Tan, Xing; Ye, Xinxin; Gong, Shengkai; Lin, Yuanhua; He, Jiaqing; Zhao, Li-Dong

2016-07-01

Bi2YO4Cu2Se2 possesses a low thermal conductivity and high electrical conductivity at room temperature, which was considered as a potential thermoelectric material. In this work, we have investigated the electrical and thermal transport properties of Bi2YO4Cu2Se2 system in the temperature range from 300 K to 873 K. We found that the total thermal conductivity decreases from 1.8 W m-1 K-1 to 0.9 W m-1 K-1, and the electrical conductivity decreases from 850 S/cm to 163 S/cm in the measured temperature range. To investigate how potential of Bi2YO4Cu2Se2 system, we prepared the heavily Iodine doped samples to counter-dope intrinsically high carrier concentration and improve the electrical transport properties. Interestingly, the Seebeck coefficient could be enhanced to +80 μV/K at 873 K, meanwhile, we found that a low thermal conductivity of 0.7 W m-1 K-1 could be achieved. The intrinsically low thermal conductivity in this system is related to the low elastic properties, such as Young's modulus of 70-72 GPa, and Grüneisen parameters of 1.55-1.71. The low thermal conductivity makes Bi2YO4Cu2Se2 system to be a potential thermoelectric material, the ZT value 0.06 at 873 K was obtained, a higher performance is expected by optimizing electrical transport properties through selecting suitable dopants, modifying band structures or by further reducing thermal conductivity through nanostructuring etc.

Transport and magnetic properties of Fe doped CaMnO3

NASA Astrophysics Data System (ADS)

Neetika; Das, A.; Dhiman, I.; Nigam, A. K.; Yadav, A. K.; Bhattacharyya, D.; Meena, S. S.

2012-12-01

The structural, transport, and magnetic properties of CaMn1-xFexO3-δ (0.0 ≤ x ≤ 0.3) have been studied by using resistivity, magnetization, and neutron powder diffraction techniques. The compounds are found to be isostructural and crystallize in GdFeO3-type orthorhombic structure (space group Pnma). With Fe doping, no structural change is observed. Mössbauer and paramagnetic susceptibility measurements show that Fe substitutes in 4+ valence state, and XANES measurements indicate the presence of mixed valence state of Mn. The compounds exhibit insulating behavior in the studied temperature range. The temperature dependence of resistivity is found to be described by small polaron model for x = 0 and variable range hopping model for x = 0.1. For higher x values, it follows a parallel combination resistance model. A small reduction in TN from 120 K to 100 K with increase in x is found. The magnetic structure changes from Gz-type collinear antiferromagnetic (AFM) structure for x = 0.0 to canted AFM structure GZFY-type for Fe doped compounds. The AFM component of the moment progressively decreases with x while FM component exhibits a maximum at x = 0.2.

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

NASA Astrophysics Data System (ADS)

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.

Simulating the Effect of Contact Atomic Structure on the Spin-Dependent Transport Properties of Gold Nanowires

NASA Astrophysics Data System (ADS)

Ansarino, Masoud; Ravan, Bahram Abedi

Some experimental research works report on the superb magnetoresistance properties of magnetically contacted gold nanowires. With the intention of trying to understand the spin-dependent transport mechanism of these structures, in this work we have used first-principles density functional theory methods to investigate effects of interface structure on the spintronic characteristics of Au nanowires. Monatomic chains of gold are sandwiched between two ferromagnetic electrodes of Fe and by substituting the interfacial Fe atoms with some other transition metal elements (including Cr, Mn, Co and Ni) the occurrence of possible enhancement in the electronic conductance and magnetoresistance characteristics of the device are investigated. It is observed that replacing the interfacial atoms with Ni raises the junction’s magnetoresistance ratio to as high as 2000%.

Low Band Gap Thiophene-Perylene Diimide Systems with Tunable Charge Transport Properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balaji, Ganapathy; Kale, Tejaswini S.; Keerthi, Ashok

2011-01-07

Perylenediimide-pentathiophene systems with varied architecture of thiophene units were synthesized. The photophysical, electrochemical, and charge transport behavior of the synthesized compounds were studied. Both molecules showed a low band gap of ~1.4 eV. Surprisingly, the molecule with pentathiophene attached via β-position to the PDI unit upon annealing showed a predominant hole mobility of 1 × 10 -4 cm 2 V -1 s -1 whereas the compound with branched pentathiophene attached via β-position showed an electron mobility of 9.8 × 10 -7 cm 2 V -1 s -1. This suggests that charge transport properties can be tuned by simply varying themore » architecture of pentathiophene units.« less

Transport properties of NSTX-U L- and H-mode plasmas

NASA Astrophysics Data System (ADS)

Kaye, Stanley; Guttenfelder, Walter; Bell, Ron; Diallo, Ahmed; Leblanc, Ben; Podesta, Mario

2016-10-01

The confinement and transport properties of L- and H-mode plasmas in NSTX-U has been studied using the TRANSP code. A dedicated series of L-mode discharges was obtained to study the dependence of confinement and transport on power level and beam aiming angle. The latter is made possible by having two beamlines with 3 sources each, capable of injecting with tangency radii from Rtan = 50 to 130 cm (Rgeo = 92 cm). L-mode plasmas typically have confinement enhancement factors with H98y,2 =0.6 to 0.65, exhibiting a 25% decrease in confinement time as the beam power is raised from 1 to 3 MW. Associated with this is an increase in the electron thermal diffusivity in the core of the plasma from 3.5 to 10 m2/s. Electron thermal transport is the dominant energy loss channel in these plasmas. H-mode plasmas exhibit improved confinement, with H98y,2 =1 or above, and core electron thermal diffusivity values <1 m2/s. Details of these studies will be presented, along with the results of the beam tangency radius scan in L-mode plasmas. This research was supported by the U.S. Department of Energy contract # DE-AC02-09CH11466.

Observed properties of extrasolar planets.

PubMed

Howard, Andrew W

2013-05-03

Observational surveys for extrasolar planets probe the diverse outcomes of planet formation and evolution. These surveys measure the frequency of planets with different masses, sizes, orbital characteristics, and host star properties. Small planets between the sizes of Earth and Neptune substantially outnumber Jupiter-sized planets. The survey measurements support the core accretion model, in which planets form by the accumulation of solids and then gas in protoplanetary disks. The diversity of exoplanetary characteristics demonstrates that most of the gross features of the solar system are one outcome in a continuum of possibilities. The most common class of planetary system detectable today consists of one or more planets approximately one to three times Earth's size orbiting within a fraction of the Earth-Sun distance.

Effects of pH on transport properties of articular cartilages.

PubMed

Loret, Benjamin; Simões, Fernando M F

2010-02-01

Articular cartilages swell and shrink depending on the ionic strength of the electrolyte they are in contact with. This electro-chemo-mechanical coupling is due to the presence of fixed electrical charges on proteoglycans (PGs). In addition, at nonphysiological pH, collagen fibers become charged. Therefore, variation of the pH of the electrolyte has strong implications on the electrical charge of cartilages and, by the same token, on their transport and mechanical properties. Articular cartilages are viewed as three-phase multi-species porous media. The constitutive framework is phrased in the theory of thermodynamics of porous media. Acid-base reactions, as well as calcium binding, are embedded in this framework. Although macroscopic in nature, the model accounts for a number of biochemical details defining collagen and PGs. The change of the electrical charge is due to the binding of hydrogen ions on specific sites of PGs and collagen. Simulations are performed mimicking laboratory experiments where either the ionic strength or the pH of the bath, the cartilage piece is in contact with, is varied. They provide the evolutions of the chemical compositions of mobile ions, of the sites of acid-base reactions and calcium binding, and of the charges of collagen and glycosaminoglycans, at constant volume fraction of water. Emphasis is laid on the effects of pH, ionic strength and calcium binding on the transport properties of cartilages, and, in particular, on the electrical conductivity and electro-osmotic coefficient.

Antarctic cloud and surface properties: Satellite observations and climate implications

NASA Astrophysics Data System (ADS)

Berque, Joannes

2004-12-01

The radiative effect of clouds in the Antarctic, although small at the top of the atmosphere, is very large within the surface-atmosphere system, and influences a variety of climate processes on a global scale. Because field observations are difficult in the Antarctic interior, satellite observations may be especially valuable in this region; but the remote sensing of clouds and surface properties over the high ice sheets is problematic due to the lack of radiometric contrast between clouds and the snow. A radiative transfer model of the Antarctic snow-atmosphere system is developed, and a new method is proposed for the examination of the problem of cloud properties retrieval from multi-spectral measurements. Key limitations are identified, and a method is developed to overcome them. Using data from the Advanced Very High Resolution Radiometer (AVHRR) onboard National Oceanic and Atmospheric Agency (NOAA) polar orbiters, snow grain size is retrieved over the course of a summer. Significant variability is observed, and it appears related to major precipitation events. A radiative transfer model and a single-column model are used to evaluate the impact of this variability on the Antarctic plateau. The range of observed grain size induces changes of up to 30 Wm-2 on the absorption of shortwave radiation in both models. Cloud properties are then retrieved in summertime imagery of the South Pole. Comparison of model to observations over a wide range of cloud optical depths suggests that this method allows the meaningful interpretation of AVHRR radiances in terms of cloud properties over the Antarctic plateau. The radiative effect of clouds at the top of the atmosphere is evaluated over the South Pole with ground-based lidar observations and data from Clouds and the Earth Radiant Energy System (CERES) onboard NASA's Terra satellite. In accord with previous work, results indicate that the shortwave and net effect are one of cooling throughout the year, while the longwave

WETAIR: A computer code for calculating thermodynamic and transport properties of air-water mixtures

NASA Technical Reports Server (NTRS)

Fessler, T. E.

1979-01-01

A computer program subroutine, WETAIR, was developed to calculate the thermodynamic and transport properties of air water mixtures. It determines the thermodynamic state from assigned values of temperature and density, pressure and density, temperature and pressure, pressure and entropy, or pressure and enthalpy. The WETAIR calculates the properties of dry air and water (steam) by interpolating to obtain values from property tables. Then it uses simple mixing laws to calculate the properties of air water mixtures. Properties of mixtures with water contents below 40 percent (by mass) can be calculated at temperatures from 273.2 to 1497 K and pressures to 450 MN/sq m. Dry air properties can be calculated at temperatures as low as 150 K. Water properties can be calculated at temperatures to 1747 K and pressures to 100 MN/sq m. The WETAIR is available in both SFTRAN and FORTRAN.

Comparing Global Atmospheric CO2 Flux and Transport Models with Remote Sensing (and Other) Observations

NASA Technical Reports Server (NTRS)

Kawa, S. R.; Collatz, G. J.; Pawson, S.; Wennberg, P. O.; Wofsy, S. C.; Andrews, A. E.

2010-01-01

We report recent progress derived from comparison of global CO2 flux and transport models with new remote sensing and other sources of CO2 data including those from satellite. The overall objective of this activity is to improve the process models that represent our understanding of the workings of the atmospheric carbon cycle. Model estimates of CO2 surface flux and atmospheric transport processes are required for initial constraints on inverse analyses, to connect atmospheric observations to the location of surface sources and sinks, to provide the basic framework for carbon data assimilation, and ultimately for future projections of carbon-climate interactions. Models can also be used to test consistency within and between CO2 data sets under varying geophysical states. Here we focus on simulated CO2 fluxes from terrestrial vegetation and atmospheric transport mutually constrained by analyzed meteorological fields from the Goddard Modeling and Assimilation Office for the period 2000 through 2009. Use of assimilated meteorological data enables direct model comparison to observations across a wide range of scales of variability. The biospheric fluxes are produced by the CASA model at 1x1 degrees on a monthly mean basis, modulated hourly with analyzed temperature and sunlight. Both physiological and biomass burning fluxes are derived using satellite observations of vegetation, burned area (as in GFED-3), and analyzed meteorology. For the purposes of comparison to CO2 data, fossil fuel and ocean fluxes are also included in the transport simulations. In this presentation we evaluate the model's ability to simulate CO2 flux and mixing ratio variability in comparison to remote sensing observations from TCCON, GOSAT, and AIRS as well as relevant in situ observations. Examples of the influence of key process representations are shown from both forward and inverse model comparisons. We find that the model can resolve much of the synoptic, seasonal, and interannual

Evaluation of mechanical and transport properties of Zr2CoSi Heusler alloy

NASA Astrophysics Data System (ADS)

Yousuf, Saleem; Khandy, S. A.; Bhat, T. M.; Gupta, D. C.

2017-05-01

Systematic investigation of mechanical and transport properties of Zr2CoSi within the density functional theory have been analysed. From the elastic constants, the shear modulus, Young's modulus, Poisson's ratio, we conclude the ductile nature of alloy. Thermoelectric properties show that Zr2CoSi as an n-type thermoelectric material with a higher increase in Seebeck coefficient with temperature. Further the power factor analysis confirms the heavily doping of the alloy fruitful for increase in thermoelectric performance and its use for the future thermoelectric spin generators.

Transport properties for a mixture of the ablation products C, C2, and C3

NASA Technical Reports Server (NTRS)

Biolsi, L.; Fenton, J.; Owenson, B.

1981-01-01

The ablation of carbon-phenolic heat shields upon entry into the atmosphere of one of the outer planets leads to the injection of large amounts of C, C2, and C3 into the shock layer. These species must be included in the calculation of transport properties in the shock layer. The kinetic theory of gases has been used to obtain accurate results for the transport properties of monatomic carbon. The Hulburt-Hirschelder potential, the most accurate general purpose atom-atom potential for states with an attractive minimum, was used to represent such states and repulsive states were represented by fitting quantum mechanical potential energy curves with the exponential repulsive potential. These results were orientation averaged according to the peripheral force model to obtain transport collision integrals for the C-C2 and C2-C2 interaction. Results for C3 were obtained by ignoring the presence of the central carbon atom. The thermal conductivity, viscosity, and diffusion coefficients for pure C, C2, and C3, and for mixtures of these gases, were then calculated from 1000 K - 25,000 K.

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

NASA Astrophysics Data System (ADS)

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.

Electronic transport and photovoltaic properties in Bi2Sr2Co2Oyepitaxial heterostructures

NASA Astrophysics Data System (ADS)

Guo, Hai-Zhong; Gu, Lin; Yang, Zhen-Zhong; Wang, Shu-Fang; Fu, Guang-Sheng; Wang, Le; Jin, Kui-Juan; Lu, Hui-Bin; Wang, Can; Ge, Chen; He, Meng; Yang, Guo-Zhen

2013-08-01

Epitaxial heterostructures constructed from the thermoelectric cobalt Bi2Sr2Co2Oy thin films and SrTiO3 as well as SrTi0.993Nb0.007O3 substrates were fabricated by pulsed-laser deposition. The scanning transmission electron microscopy results confirm that the heterostructures are epitaxial, with sharp and coherent interfaces. The temperature-dependent electrical transport properties and the Hall effects were systematically investigated. The Bi2Sr2Co2Oy/SrTi0.993Nb0.007O3 p-n heterostructure exhibits good rectifying current-voltage characteristics over a wide temperature range. A strong photovoltaic effect was observed in the Bi2Sr2Co2Oy/SrTi0.993Nb0.007O3 heterostructure, with the temperature-dependent photovoltage being systematically investigated. The present work shows a great potential of this new heterostructures as photoelectric devices.

Modulation of electronic transport properties in armchair phosphorene nanoribbons by doping and edge passivation.

PubMed

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

2017-10-09

The electronic structures and transport properties of group IV atoms (C, Si, Ge)-doped armchair phosphorene nanoribbons (APNRs) are investigated using first-principles calculations, considering different edge passivation. The results show that the C, Si, Ge dopants can induce the transition occur from semiconductor to metal in the APNRs. The negative differential resistance (NDR) behavior in the doped APNR system is robust with respect to the doping concentration and edge passivation type. However, their current peak positions and peak-to-valley ratio (PVR) values are correlated with doping concentration and edge passivation type. In particular, for the C, Si-doped APNRs, the low bias NDR behavior with the PVR (10 5 -10 8 ) can be observed when doping concentration is low in the APNRs with the F and H edge passivation. These results may play an important role for the fabrication of future low power consumption nano-electronic devices.

Isothermal transport properties and majority-type defects of BaCo(0.70)Fe(0.22)Nb(0.08)O(3-δ).

PubMed

Lee, Taewon; Cho, Deok-Yong; Kwon, Hyung-Soon; Yoo, Han-Ill

2015-01-28

(Ba,Sr)(Co,Fe)O3-δ based mixed conducting oxides, e.g. (Ba0.5Sr0.5)(Co1-xFex)O3-δ and Ba(Co0.7Fe0.3-xNbx)O3-δ, are promising candidates for oxygen permeable membranes and SOFC cathodes due to their excellent ambipolar conductivities. Despite these excellent properties, however, their mass/charge transport properties have not been fully characterized and hence, their defect structure has not been clearly elucidated. Until now, the majority types of ionic and electronic defects have been regarded as oxygen vacancies and localized holes. Holes, whether localized or not, are acceptable as majority electronic carriers on the basis of the as-measured total conductivity, which is essentially electronic, and electronic thermopower. On the other hand, the proposal of oxygen vacancies as majority ionic carriers lacks solid evidence. In this work, we document all the isothermal transport properties of Ba(Co0.70Fe0.22Nb0.08)O3-δ in terms of a 2 × 2 Onsager transport coefficient matrix and its steady-state electronic thermopower against oxygen activity at elevated temperatures, and determine the valences of Co and Fe via soft X-ray absorption spectroscopy. It turns out that the ionic and electronic defects in majority should be oxygen interstitials and at least two kinds of holes, one free and the other trapped. Furthermore, the lattice molecule should be Ba(Co0.7Fe0.3-xNbx)O2+δ, not Ba(Co0.7Fe0.3-xNbx)O3-δ, to be consistent with all the results observed.

Focused helium-ion beam irradiation effects on electrical transport properties of few-layer WSe 2: Enabling nanoscale direct write homo-junctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stanford, Michael; Noh, Joo Hyon; Koehler, Michael R.

Atomically thin transition metal dichalcogenides (TMDs) are currently receiving significant attention due to their promising opto-electronic properties. Tuning optical and electrical properties of mono and few-layer TMDs, such as tungsten diselenide (WSe 2), by controlling the defects, is an intriguing opportunity to synthesize next generation two dimensional material opto-electronic devices. Here, we report the effects of focused helium ion beam irradiation on the structural, optical and electrical properties of few-layer WSe 2, via high resolution scanning transmission electron microscopy, Raman spectroscopy, and electrical transport measurements. By controlling the ion irradiation dose, we selectively introduce precise defects in few-layer WSe 2more » thereby locally tuning the resistivity and transport properties of the material. Hole transport in the few layer WSe 2 is degraded more severely relative to electron transport after helium ion irradiation. Moreover, by selectively exposing material with the ion beam, we demonstrate a simple yet highly tunable method to create lateral homo-junctions in few layer WSe 2 flakes, which constitutes an important advance towards two dimensional opto-electronic devices.« less

Focused helium-ion beam irradiation effects on electrical transport properties of few-layer WSe 2: Enabling nanoscale direct write homo-junctions

DOE PAGES

Stanford, Michael; Noh, Joo Hyon; Koehler, Michael R.; ...

2016-06-06

Atomically thin transition metal dichalcogenides (TMDs) are currently receiving significant attention due to their promising opto-electronic properties. Tuning optical and electrical properties of mono and few-layer TMDs, such as tungsten diselenide (WSe 2), by controlling the defects, is an intriguing opportunity to synthesize next generation two dimensional material opto-electronic devices. Here, we report the effects of focused helium ion beam irradiation on the structural, optical and electrical properties of few-layer WSe 2, via high resolution scanning transmission electron microscopy, Raman spectroscopy, and electrical transport measurements. By controlling the ion irradiation dose, we selectively introduce precise defects in few-layer WSe 2more » thereby locally tuning the resistivity and transport properties of the material. Hole transport in the few layer WSe 2 is degraded more severely relative to electron transport after helium ion irradiation. Moreover, by selectively exposing material with the ion beam, we demonstrate a simple yet highly tunable method to create lateral homo-junctions in few layer WSe 2 flakes, which constitutes an important advance towards two dimensional opto-electronic devices.« less

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

NASA Astrophysics Data System (ADS)

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.

Microscopic observation of carrier-transport dynamics in quantum-structure solar cells using a time-of-flight technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Toprasertpong, Kasidit; Fujii, Hiromasa; Sugiyama, Masakazu

2015-07-27

In this study, we propose a carrier time-of-flight technique to evaluate the carrier transport time across a quantum structure in an active region of solar cells. By observing the time-resolved photoluminescence signal with a quantum-well probe inserted under the quantum structure at forward bias, the carrier transport time can be efficiently determined at room temperature. The averaged drift velocity shows linear dependence on the internal field, allowing us to estimate the quantum structure as a quasi-bulk material with low effective mobility containing the information of carrier dynamics. We show that this direct and real-time observation is more sensitive to carriermore » transport than other conventional techniques, providing better insights into microscopic carrier transport dynamics to overcome a device design difficulty.« less

Electrical transport properties of single-crystal CaB 6 , SrB 6 , and BaB 6

DOE PAGES

Stankiewicz, Jolanta; Rosa, Priscila F. S.; Schlottmann, Pedro; ...

2016-09-22

We measure the electrical resistivity and Hall effect of alkaline-earth-metal hexaboride single crystals as a function of temperature, hydrostatic pressure, and magnetic field. The transport properties vary weakly with the external parameters and are modeled in terms of intrinsic variable-valence defects. These defects can stay either in (1) delocalized shallow levels or in (2) localized levels resonant with the conduction band, which can be neutral or negatively charged. Satisfactory agreement is obtained for electronic transport properties in a broad temperature and pressure range, though fitting the magnetoresistance is less straightforward and a combination of various mechanisms is needed to explainmore » the field and temperature dependences.« less

Electrical transport properties of single-crystal CaB 6 , SrB 6 , and BaB 6

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stankiewicz, Jolanta; Rosa, Priscila F. S.; Schlottmann, Pedro

We measure the electrical resistivity and Hall effect of alkaline-earth-metal hexaboride single crystals as a function of temperature, hydrostatic pressure, and magnetic field. The transport properties vary weakly with the external parameters and are modeled in terms of intrinsic variable-valence defects. These defects can stay either in (1) delocalized shallow levels or in (2) localized levels resonant with the conduction band, which can be neutral or negatively charged. Satisfactory agreement is obtained for electronic transport properties in a broad temperature and pressure range, though fitting the magnetoresistance is less straightforward and a combination of various mechanisms is needed to explainmore » the field and temperature dependences.« less

Correlation between structural and transport properties of electron beam irradiated PrMnO3 compounds

NASA Astrophysics Data System (ADS)

Christopher, Benedict; Rao, Ashok; Nagaraja, B. S.; Shyam Prasad, K.; Okram, G. S.; Sanjeev, Ganesh; Petwal, Vikash Chandra; Verma, Vijay Pal; Dwivedi, Jishnu; Poornesh, P.

2018-02-01

The structural, electrical, magnetic, and thermal properties of electron beam (EB) irradiated PrMnO3 manganites were investigated in the present communication. X-ray diffraction data reveals that all samples are single phased with orthorhombic distorted structure (Pbnm). Furthermore, the diffracted data are analyzed in detail using Rietveld refinement technique. It is observed that the EB dosage feebly disturbs the MnO6 octahedra. The electrical resistivity of all the samples exhibits semiconducting behavior. Small polaron hopping model is conveniently employed to investigate the semiconducting nature of the pristine as well as EB irradiated samples. The Seebeck coefficient (S) of the pristine as well as the irradiated samples exhibit large positive values at lower temperatures, signifying holes as the dominant charge carriers. The analysis of Seebeck coefficient data confirms that the small polaron hopping mechanism assists the thermoelectric transport property in the high temperature region. The magnetic measurements confirm the existence of paramagnetic (PM) to ferromagnetic (FM) behavior for the pristine and irradiated samples. In the lower temperature regime, coexistence of FM clusters and AFM matrix is dominating. Thus, the complex magnetic behavior of the compound has been explained in terms of rearrangement of antiferromagnetically coupled ionic moments.

Trans-Pacific yellow sand transport observed in April 1998: A numerical simulation

NASA Astrophysics Data System (ADS)

Uno, Itsushi; Amano, Hiroyasu; Emori, Seita; Kinoshita, Kisei; Matsui, Ichiro; Sugimoto, Nobuo

2001-08-01

A yellow sand transport episode from the Asian continent to Japan and North America which occurred in April 1998 is simulated. A new on-line dust tracer model coupled with a regional-scale meteorological model is developed and applied to this dust storm episode. The results for two large dust events that started during April 14-15 and 19-20, 1998, have been analyzed and discussed. The first dust storm was trapped in a cutoff vortex developed over the China plain. A modeled 3-D structure of dust associated with this cutoff vortex agreed with an observed time-height cross section of dust concentration. Results show that the strong subsidence at the backside of the vortex restricted the dust layer below 3 km level. Model analysis revealed that the second dust event that started during April 19-20 over inland China was the origin of a dust episode reported over North America. The trans-Pacific dust transport simulation successfully showed the dust onset near the West Coast of North America. Elevation of the dust layer during the long-range transport was below 3 km. The model is extended to include the transport of an Asian origin anthropogenic tracer over the North Pacific Rim. Both the natural-origin mineral dust and the Asian-origin anthropogenic tracer are simultaneously transported even if their emission regions are different.

High-field transport properties of a P-doped BaFe2As2 film on technical substrate

PubMed Central

Iida, Kazumasa; Sato, Hikaru; Tarantini, Chiara; Hänisch, Jens; Jaroszynski, Jan; Hiramatsu, Hidenori; Holzapfel, Bernhard; Hosono, Hideo

2017-01-01

High temperature (high-Tc) superconductors like cuprates have superior critical current properties in magnetic fields over other superconductors. However, superconducting wires for high-field-magnet applications are still dominated by low-Tc Nb3Sn due probably to cost and processing issues. The recent discovery of a second class of high-Tc materials, Fe-based superconductors, may provide another option for high-field-magnet wires. In particular, AEFe2As2 (AE: Alkali earth elements, AE-122) is one of the best candidates for high-field-magnet applications because of its high upper critical field, Hc2, moderate Hc2 anisotropy, and intermediate Tc. Here we report on in-field transport properties of P-doped BaFe2As2 (Ba-122) thin films grown on technical substrates by pulsed laser deposition. The P-doped Ba-122 coated conductor exceeds a transport Jc of 105 A/cm2 at 15 T for main crystallographic directions of the applied field, which is favourable for practical applications. Our P-doped Ba-122 coated conductors show a superior in-field Jc over MgB2 and NbTi, and a comparable level to Nb3Sn above 20 T. By analysing the E − J curves for determining Jc, a non-Ohmic linear differential signature is observed at low field due to flux flow along the grain boundaries. However, grain boundaries work as flux pinning centres as demonstrated by the pinning force analysis. PMID:28079117

High-field transport properties of a P-doped BaFe2As2 film on technical substrate

NASA Astrophysics Data System (ADS)

Iida, Kazumasa; Sato, Hikaru; Tarantini, Chiara; Hänisch, Jens; Jaroszynski, Jan; Hiramatsu, Hidenori; Holzapfel, Bernhard; Hosono, Hideo

2017-01-01

High temperature (high-Tc) superconductors like cuprates have superior critical current properties in magnetic fields over other superconductors. However, superconducting wires for high-field-magnet applications are still dominated by low-Tc Nb3Sn due probably to cost and processing issues. The recent discovery of a second class of high-Tc materials, Fe-based superconductors, may provide another option for high-field-magnet wires. In particular, AEFe2As2 (AE: Alkali earth elements, AE-122) is one of the best candidates for high-field-magnet applications because of its high upper critical field, Hc2, moderate Hc2 anisotropy, and intermediate Tc. Here we report on in-field transport properties of P-doped BaFe2As2 (Ba-122) thin films grown on technical substrates by pulsed laser deposition. The P-doped Ba-122 coated conductor exceeds a transport Jc of 105 A/cm2 at 15 T for main crystallographic directions of the applied field, which is favourable for practical applications. Our P-doped Ba-122 coated conductors show a superior in-field Jc over MgB2 and NbTi, and a comparable level to Nb3Sn above 20 T. By analysing the E - J curves for determining Jc, a non-Ohmic linear differential signature is observed at low field due to flux flow along the grain boundaries. However, grain boundaries work as flux pinning centres as demonstrated by the pinning force analysis.

Transport properties of alumina nanofluids.

PubMed

Wong, Kau-Fui Vincent; Kurma, Tarun

2008-08-27

Recent studies have showed that nanofluids have significantly greater thermal conductivity compared to their base fluids. Large surface area to volume ratio and certain effects of Brownian motion of nanoparticles are believed to be the main factors for the significant increase in the thermal conductivity of nanofluids. In this paper all three transport properties, namely thermal conductivity, electrical conductivity and viscosity, were studied for alumina nanofluid (aluminum oxide nanoparticles in water). Experiments were performed both as a function of volumetric concentration (3-8%) and temperature (2-50 °C). Alumina nanoparticles with a mean diameter of 36 nm were dispersed in water. The effect of particle size was not studied. The transient hot wire method as described by Nagaska and Nagashima for electrically conducting fluids was used to test the thermal conductivity. In this work, an insulated platinum wire of 0.003 inch diameter was used. Initial calibration was performed using de-ionized water and the resulting data was within 2.5% of standard thermal conductivity values for water. The thermal conductivity of alumina nanofluid increased with both increase in temperature and concentration. A maximum thermal conductivity of 0.7351 W m(-1) K(-1) was recorded for an 8.47% volume concentration of alumina nanoparticles at 46.6 °C. The effective thermal conductivity at this concentration and temperature was observed to be 1.1501, which translates to an increase in thermal conductivity by 22% when compared to water at room temperature. Alumina being a good conductor of electricity, alumina nanofluid displays an increasing trend in electrical conductivity as volumetric concentration increases. A microprocessor-based conductivity/TDS meter was used to perform the electrical conductivity experiments. After carefully calibrating the conductivity meter's glass probe with platinum tip, using a standard potassium chloride solution, readings were taken at

Influence of metallic vapours on thermodynamic and transport properties of two-temperature air plasma

NASA Astrophysics Data System (ADS)

Zhong, Linlin; Wang, Xiaohua; Cressault, Yann; Teulet, Philippe; Rong, Mingzhe

2016-09-01

The metallic vapours (i.e., copper, iron, and silver in this paper) resulting from walls and/or electrode surfaces can significantly affect the characteristics of air plasma. Different from the previous works assuming local thermodynamic equilibrium, this paper investigates the influence of metallic vapours on two-temperature (2 T) air plasma. The 2 T compositions of air contaminated by Cu, Fe, and Ag are first determined based on Saha's and Guldberg-Waage's laws. The thermodynamic properties (including mass density, specific enthalpy, and specific heat) are then calculated according to their definitions. After determining the collision integrals for each pair of species in air-metal mixtures using the newly published methods and source data, the transport coefficients (including electrical conductivity, viscosity, and thermal conductivity) are calculated for air-Cu, air-Fe, and air-Ag plasmas with different non-equilibrium degree θ (Te/Th). The influences of metallic contamination as well as non-equilibrium degree are discussed. It is found that copper, iron, and silver exist mainly in the form of Cu2, FeO, and AgO at low temperatures. Generally, the metallic vapours increase mass density at most temperatures, reduce the specific enthalpy and specific heat in the whole temperature range, and affect the transport properties remarkably from 5000 K to 20 000 K. The effect arising from the type of metals is little except for silver at certain temperatures. Besides, the departure from thermal equilibrium results in the delay of dissociation and ionization reactions, leading to the shift of thermodynamic and transport properties towards a higher temperature.

Grain size effect on the electrical and magneto-transport properties of nanosized Pr0.67Sr0.33MnO3

NASA Astrophysics Data System (ADS)

Ng, S. W.; Lim, K. P.; Halim, S. A.; Jumiah, H.

2018-06-01

In this study, nanosized of Pr0.67Sr0.33MnO3 prepared via sol-gel method followed by heat treatment at 600-1000 °C in intervals of 100 °C were synthesized. The structure, surface morphology, electrical, magneto-transport and magnetic properties of the samples were investigated. Rietveld refinements of X-ray diffraction patterns confirm that single phase orthorhombic crystal structure with the space group of Pnma (62) is formed at 600 °C. A strong dependence of surface morphology, electrical and magneto-transport properties on grain size have been observed in this manganites system. Both grain size and crystallite size are increases with the sintering temperature due to the congregation effect. Upon increasing grain size, the paramagnetic-ferromagnetic transition temperature increases from 278 K to 295 K. The resistivity drops and the metal-insulator transition temperature shifted from 184 K to 248 K with increases of grain size due to the grain growth and reduction of grain boundary. Below metal-insulator transition temperature, the samples fit well to the combination of resistivity due to grain or domain boundaries, electron-electron scattering process and electron-phonon interaction. The resistivity data above the metal-insulator transition temperature is well described using small polaron hopping and variable range hopping models. It is found that the negative magnetoresistance also increases with larger grain size where the highest %MR of - 26% can be observed for sample sintered at 1000 °C (245 nm).

Effect of molecular topology on the transport properties of dendrimers in dilute solution at Θ temperature: A Brownian dynamics study

NASA Astrophysics Data System (ADS)

Bosko, Jaroslaw T.; Ravi Prakash, J.

2008-01-01

Structure and transport properties of dendrimers in dilute solution are studied with the aid of Brownian dynamics simulations. To investigate the effect of molecular topology on the properties, linear chain, star, and dendrimer molecules of comparable molecular weights are studied. A bead-spring chain model with finitely extensible springs and fluctuating hydrodynamic interactions is used to represent polymer molecules under Θ conditions. Structural properties as well as the diffusivity and zero-shear-rate intrinsic viscosity of polymers with varied degrees of branching are analyzed. Results for the free-draining case are compared to and found in very good agreement with the Rouse model predictions. Translational diffusivity is evaluated and the difference between the short-time and long-time behavior due to dynamic correlations is observed. Incorporation of hydrodynamic interactions is found to be sufficient to reproduce the maximum in the intrinsic viscosity versus molecular weight observed experimentally for dendrimers. Results of the nonequilibrium Brownian dynamics simulations of dendrimers and linear chain polymers subjected to a planar shear flow in a wide range of strain rates are also reported. The flow-induced molecular deformation of molecules is found to decrease hydrodynamic interactions and lead to the appearance of shear thickening. Further, branching is found to suppress flow-induced molecular alignment and deformation.

Transport in the barrier billiard

NASA Astrophysics Data System (ADS)

Saberi Fathi, S. M.; Ettoumi, W.; Courbage, M.

2016-06-01

We investigate transport properties of an ensemble of particles moving inside an infinite periodic horizontal planar barrier billiard. A particle moves among bars and elastically reflects on them. The motion is a uniform translation along the bars' axis. When the tangent of the incidence angle, α , is fixed and rational, the second moment of the displacement along the orthogonal axis at time n , , is either bounded or asymptotic to K n2 , when n →∞ . For irrational α , the collision map is ergodic and has a family of weakly mixing observables, the transport is not ballistic, and autocorrelation functions decay only in time average, but may not decay for a family of irrational α 's. An exhaustive numerical computation shows that the transport may be superdiffusive or subdiffusive with various rates or bounded strongly depending on the values of α . The variety of transport behaviors sounds reminiscent of well-known behavior of conservative systems. Considering then an ensemble of particles with nonfixed α , the system is nonergodic and certainly not mixing and has anomalous diffusion with self-similar space-time properties. However, we verified that such a system decomposes into ergodic subdynamics breaking self-similarity.

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

NASA Astrophysics Data System (ADS)

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.

Correlation and transport properties for mixtures at constant pressure and temperature

DOE PAGES

White, Alexander J.; Collins, Lee A.; Kress, Joel D.; ...

2017-06-02

Transport properties of mixtures of elements in the dense plasma regime play an important role in natural astrophysical and experimental systems, e.g., inertial confinement fusion. In this paper, we present a series of orbital-free molecular dynamics simulations on dense plasma mixtures with comparison to a global pseudo ion in jellium model. Hydrogen is mixed with elements of increasingly high atomic number (lithium, carbon, aluminum, copper, and silver) at a fixed temperature of 100 eV and constant pressure set by pure hydrogen at 2g/cm 3, namely, 370 Mbars. We compute ionic transport coefficients, such as self-diffusion, mutual diffusion, and viscosity formore » various concentrations. Small concentrations of the heavy atoms significantly change the density of the plasma and decrease the transport coefficients. The structure of the mixture evidences a strong Coulomb coupling between heavy ions and the appearance of a broad correlation peak at short distances between hydrogen atoms. Finally, the concept of an effective one component plasma is used to quantify the overcorrelation of the light element induced by the admixture of a heavy element.« less

Correlation and transport properties for mixtures at constant pressure and temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, Alexander J.; Collins, Lee A.; Kress, Joel D.

Transport properties of mixtures of elements in the dense plasma regime play an important role in natural astrophysical and experimental systems, e.g., inertial confinement fusion. In this paper, we present a series of orbital-free molecular dynamics simulations on dense plasma mixtures with comparison to a global pseudo ion in jellium model. Hydrogen is mixed with elements of increasingly high atomic number (lithium, carbon, aluminum, copper, and silver) at a fixed temperature of 100 eV and constant pressure set by pure hydrogen at 2g/cm 3, namely, 370 Mbars. We compute ionic transport coefficients, such as self-diffusion, mutual diffusion, and viscosity formore » various concentrations. Small concentrations of the heavy atoms significantly change the density of the plasma and decrease the transport coefficients. The structure of the mixture evidences a strong Coulomb coupling between heavy ions and the appearance of a broad correlation peak at short distances between hydrogen atoms. Finally, the concept of an effective one component plasma is used to quantify the overcorrelation of the light element induced by the admixture of a heavy element.« less

Temperature Dependent Electrical Transport Properties of Ni-Cr and Co-Cr Binary Alloys

NASA Astrophysics Data System (ADS)

Thakore, B. Y.; Suthar, P. H.; Khambholja, S. G.; Gajjar, P. N.; Bhatt, N. K.; Jani, A. R.

2011-12-01

The temperature dependent electrical transport properties viz. electrical resistivity and thermal conductivity of Ni10Cr90 and Co20Cr80 alloys are computed at various temperatures. The electrical resistivity has been calculated according to Faber-Ziman model combined with Ashcroft-Langreth partial structure factors. In the present work, to include the ion-electron interaction, we have used a well tested local model potential. For exchange-correlation effects, five different forms of local field correction functions due to Hartree (H), Taylor (T), Ichimaru and Utsumi (IU), Farid et al (F) and Sarkar et al (S) are used. The present results due to S function are in good agreement with the experimental data as compared to results obtained using other four functions. The S functions satisfy compressibility sum rule in long wave length limit more accurately as compared to T, IU and F functions, which may be responsible for better agreement of results, obtained using S function. Also, present result confirms the validity of present approach in determining the transport properties of alloys like Ni-Cr and Co-Cr.

A Combined Observational and Modeling Approach to Study Modern Dust Transport from the Patagonia Desert to East Antarctica

NASA Technical Reports Server (NTRS)

Gasso, S.; Stein, A.; Marino, F.; Castellano, E.; Udisti, R.; Ceratto, J.

2010-01-01

The understanding of present atmospheric transport processes from Southern Hemisphere (SH) landmasses to Antarctica can improve the interpretation of stratigraphic data in Antarctic ice cores. In addition, long range transport can deliver key nutrients normally not available to marine ecosystems in the Southern Ocean and may trigger or enhance primary productivity. However, there is a dearth of observational based studies of dust transport in the SH. This work aims to improve current understanding of dust transport in the SH by showing a characterization of two dust events originating in the Patagonia desert (south end of South America). The approach is based on a combined and complementary use of satellite retrievals (detectors MISR, MODIS, GLAS ,POLDER, OMI,), transport model simulation (HYSPLIT) and surface observations near the sources and aerosol measurements in Antarctica (Neumayer and Concordia sites). Satellite imagery and visibility observations confirm dust emission in a stretch of dry lakes along the coast of the Tierra del Fuego (TdF) island (approx.54deg S) and from the shores of the Colihue Huapi lake in Central Patagonia (approx.46deg S) in February 2005. Model simulations initialized by these observations reproduce the timing of an observed increase in dust concentration at the Concordia Station and some of the observed increases in atmospheric aerosol absorption (here used as a dust proxy) in the Neumayer station. The TdF sources were the largest contributors of dust at both sites. The transit times from TdF to the Neumayer and Concordia sites are 6-7 and 9-10 days respectively. Lidar observations and model outputs coincide in placing most of the dust cloud in the boundary layer and suggest significant de- position over the ocean immediately downwind. Boundary layer dust was detected as far as 1800 km from the source and approx.800 km north of the South Georgia Island over the central sub-Antarctic Atlantic Ocean. Although the analysis suggests the

Potential Energy Curves and Transport Properties for the Interaction of He with Other Ground-state Atoms

NASA Technical Reports Server (NTRS)

Partridge, Harry; Stallcop, James R.; Levin, Eugene; Arnold, Jim (Technical Monitor)

2001-01-01

The interactions of a He atom with a heavier atom are examined for 26 different elements, which are consecutive members selected from three rows (Li - Ne, Na - Ar, and K,Ca, Ga - Kr) and column 12 (Zn,Cd) of the periodic table. Interaction energies are determined wing high-quality ab initio calculations for the states of the molecule that would be formed from each pair of atoms in their ground states. Potential energies are tabulated for a broad range of Interatomic separation distances. The results show, for example, that the energy of an alkali interaction at small separations is nearly the same as that of a rare-gas interaction with the same electron configuration for the dosed shells. Furthermore, the repulsive-range parameter for this region is very short compared to its length for the repulsion dominated by the alkali-valence electron at large separations (beyond about 3-4 a(sub 0)). The potential energies in the region of the van der Waals minimum agree well with the most accurate results available. The ab initio energies are applied to calculate scattering cross sections and obtain the collision integrals that are needed to determine transport properties to second order. The theoretical values of Li-He total scattering cross sections and the rare-gas atom-He transport properties agree well (to within about 1%) with the corresponding measured data. Effective potential energies are constructed from the ab initio energies; the results have been shown to reproduce known transport data and can be readily applied to predict unknown transport properties for like-atom interactions.

Connections between transport in events and transport at landscape-structuring timescales

NASA Astrophysics Data System (ADS)

Harman, C. J.; Lohse, K. A.; Troch, P. A.; Sivapalan, M.

2012-12-01

the population of runoff events and processes that generate them. The results suggest that over the long term, slope-dependent transport processes (such as rainsplash, bioturbation and trampling) seem to play an important role in these steeper hillslopes in inverting the flow of resources. Over many storm and inter-storm periods, soil organic matter is transported downslope in plumes extending at least two canopy radii downslope from below woody-shrub canopies into the inter-space. This pattern was particularly evident where microtopography and soil properties create micro-sites protected from fluvial transport. While many of the patterns observed are similar to those from more stable geomorphic surfaces, the results suggest that long-term downslope transport processes in sloping terrain can disrupt the autogenic processes that reinforce the redistribution of resources under shrubs. This result has important implications for our understanding of the relationship between ecosystem function and landscape-scale transport in these environments.

Derivation of Mars Surface Scattering Properties from OMEGA Spot Pointing Observations

NASA Astrophysics Data System (ADS)

Pinet, P. C.; Daydou, Y.; Cord, A.; Chevrel, S. C.; Poulet, F.; Erard, S.; Bibring, J.-P.; Langevin, Y.; Melchiorri, R.; Bellucci, G.; Altieri, F.; Arvidson, R. E.; OMEGA Co-Investigator Team

2005-03-01

OMEGA emission phase function (EPF) observation shows that one may access from orbit to geology-driven surface scattering properties such as surface roughness. It has implications for spectroscopic interpretation and for CRISM observations to come.

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

NASA Astrophysics Data System (ADS)

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).

Functional Properties and Genomics of Glucose Transporters

PubMed Central

Zhao, Feng-Qi; Keating, Aileen F

2007-01-01

Glucose is the major energy source for mammalian cells as well as an important substrate for protein and lipid synthesis. Mammalian cells take up glucose from extracellular fluid into the cell through two families of structurallyrelated glucose transporters. The facilitative glucose transporter family (solute carriers SLC2A, protein symbol GLUT) mediates a bidirectional and energy-independent process of glucose transport in most tissues and cells, while the NaM+/glucose cotransporter family (solute carriers SLC5A, protein symbol SGLT) mediates an active, Na+-linked transport process against an electrochemical gradient. The GLUT family consists of thirteen members (GLUT1-12 and HMIT). Phylogenetically, the members of the GLUT family are split into three classes based on protein similarities. Up to now, at least six members of the SGLT family have been cloned (SGLT1-6). In this review, we report both the genomic structure and function of each transporter as well as intra-species comparative genomic analysis of some of these transporters. The affinity for glucose and transport kinetics of each transporter differs and ranges from 0.2 to 17mM. The ability of each protein to transport alternative substrates also differs and includes substrates such as fructose and galactose. In addition, the tissue distribution pattern varies between species. There are different regulation mechanisms of these transporters. Characterization of transcriptional control of some of the gene promoters has been investigated and alternative promoter usage to generate different protein isoforms has been demonstrated. We also introduce some pathophysiological roles of these transporters in human. PMID:18660845

Statistical properties of links of network: A survey on the shipping lines of Worldwide Marine Transport Network

NASA Astrophysics Data System (ADS)

Zhang, Wenjun; Deng, Weibing; Li, Wei

2018-07-01

Node properties and node importance identification of networks have been vastly studied in the last decades. While in this work, we analyze the links' properties of networks by taking the Worldwide Marine Transport Network (WMTN) as an example, i.e., statistical properties of the shipping lines of WMTN have been investigated in various aspects: Firstly, we study the feature of loops in the shipping lines by defining the line saturability. It is found that the line saturability decays exponentially with the increase of line length. Secondly, to detect the geographical community structure of shipping lines, the Label Propagation Algorithm with compression of Flow (LPAF) and Multi-Dimensional Scaling (MDS) method are employed, which show rather consistent communities. Lastly, to analyze the redundancy property of shipping lines of different marine companies, the multilayer networks are constructed by aggregating the shipping lines of different marine companies. It is observed that the topological quantities, such as average degree, average clustering coefficient, etc., increase smoothly when marine companies are randomly merged (randomly choose two marine companies, then merge the shipping lines of them together), while the relative entropy decreases when the merging sequence is determined by the Jensen-Shannon distance (choose two marine companies when the Jensen-Shannon distance between them is the lowest). This indicates the low redundancy of shipping lines among different marine companies.

Observations of Co-variation in Cloud Properties and their Relationships with Atmospheric State

NASA Astrophysics Data System (ADS)

Sinclair, K.; van Diedenhoven, B.; Fridlind, A. M.; Arnold, T. G.; Yorks, J. E.; Heymsfield, G. M.; McFarquhar, G. M.; Um, J.

2017-12-01

Radiative properties of upper tropospheric ice clouds are generally not well represented in global and cloud models. Cloud top height, cloud thermodynamic phase, cloud optical thickness, cloud water path, particle size and ice crystal shape all serve as observational targets for models to constrain cloud properties. Trends or biases in these cloud properties could have profound effects on the climate since they affect cloud radiative properties. Better understanding of co-variation between these cloud properties and linkages with atmospheric state variables can lead to better representation of clouds in models by reducing biases in their micro- and macro-physical properties as well as their radiative properties. This will also enhance our general understanding of cloud processes. In this analysis we look at remote sensing, in situ and reanalysis data from the MODIS Airborne Simulator (MAS), Cloud Physics Lidar (CPL), Cloud Radar System (CRS), GEOS-5 reanalysis data and GOES imagery obtained during the Tropical Composition, Cloud and Climate Coupling (TC4) airborne campaign. The MAS, CPL and CRS were mounted on the ER-2 high-altitude aircraft during this campaign. In situ observations of ice size and shape were made aboard the DC8 and WB57 aircrafts. We explore how thermodynamic phase, ice effective radius, particle shape and radar reflectivity vary with altitude and also investigate how these observed cloud properties vary with cloud type, cloud top temperature, relative humidity and wind profiles. Observed systematic relationships are supported by physical interpretations of cloud processes and any unexpected differences are examined.

Correlation between structural change and electrical transport properties of Fe-doped chrysotile nanotubes under high pressure

NASA Astrophysics Data System (ADS)

Zhang, Junkai; Yang, Lili; Wu, Xiaoxin; Wei, Maobin; Liu, Yanqing; Gao, Chunxiao; Yang, Jinghai; Ma, Yanzhang

2018-04-01

Fe3+ doped chrysotile nanotubes (NTs) have been synthesized under controlled hydrothermal conditions, and have been characteristic of layered-walls and room-temperature ferromagnetism. High-pressure in situ impedance spectra and synchrotron XRD measurements are performed on Fe-doped chrysotile NTs to reveal the electrical transport and structural properties under compression. Sample resistance (R sum) was found to increase with the pressure elevation, accompanying the step decrease in the grain boundary relaxation frequency (f gb), which reflects the bandgap broadening and dipoles polarization weakening due to the application of pressure. Furthermore, it is found that both R sum and f gb change their pressure dependences at ~5.0 GPa, which is attributed to the nonlinear compressibility of c-axis and even the underlying lattice distortion of monoclinic structure obtained in the XRD observations.

Superconductor-to-insulator transition and transport properties of underdoped YBa2Cu3O(y) crystals.

PubMed

Semba, K; Matsuda, A

2001-01-15

The carrier-concentration-driven superconductor-to-insulator (SI) transition as well as transport properties in underdoped YBa2Cu3O(y) twinned crystals is studied. The SI transition takes place at y approximately 6.3, carrier concentration n(SI)H approximately 3x10(20) cm(-3), anisotropy rho(c)/rho(ab) approximately 10(3), and the threshold resistivity rho(SI)ab approximately 0.8 mOmega cm which corresponds to a critical sheet resistance h/4e2 approximately 6.5 kOmega per CuO2 bilayer. The evolution of a carrier, nH infiniti y - 6.2, is clearly observed in the underdoped region. The resistivity and Hall coefficient abruptly acquire strong temperature dependence at y approximately 6.5 indicating a radical change in the electronic state.

Electrical, thermal, and species transport properties of liquid eutectic Ga-In and Ga-In-Sn from first principles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Seungho; Kaviany, Massoud, E-mail: kaviany@umich.edu

2014-02-14

Using ab initio molecular dynamics, the atomic structure and transport properties of eutectic Ga-In and Ga-In-Sn are investigated. The Kubo-Greenwood (K-G) and the Ziman-Faber (Z-F) formulations and the Wiedemann-Franz (W-F) law are used for the electrical and electronic thermal conductivity. The species diffusivity and the viscosity are also predicted using the mean square displacement and the Stokes-Einstein (S-E) relation. Alloying Ga causes more disordered structure, i.e., broadening the atomic distance near the In and Sn atoms, which reduces the transport properties and the melting temperature. The K-G treatment shows excellent agreement with the experimental results while Z-F treatment formula slightlymore » overestimates the electrical conductivity. The predicted thermal conductivity also shows good agreement with the experiments. The species diffusivity and the viscosity are slightly reduced by the alloying of Ga with In and Sn atoms. Good agreements are found with available experimental results and new predicted transport-property results are provided.« less

Electrical Transport Properties of Liquid Sn-Sb Binary Alloys

NASA Astrophysics Data System (ADS)

Thakore, B. Y.; Suthar, P. H.; Khambholja, S. G.; Jani, A. R.

2010-06-01

The study of electrical transport properties viz. electrical resistivity, thermo electrical power and thermal conductivity of liquid Sn-Sb binary alloys have been made by our well recognized single parametric model potential. In the present work, screening functions due to Hartree, Taylor, Ichimaru et al.. Farid et al.. and Sarkar et al.. have been employed to incorporate the exchange and correlation effects. The liquid alloy is studied as a function of its composition at temperature 823 K according to the Faber-Ziman model. Further, thermoelectric power and thermal conductivity have been predicted. The values of electrical resistivity of binary alloys computed with Ichimaru et al. and Farid et al.. screening function are in good agreement with the experimental data.

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

NASA Astrophysics Data System (ADS)

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.

Physical properties of select explosive components for assessing their fate and transport in the environment

USDA-ARS?s Scientific Manuscript database

Information on physical properties of munitions compounds is necessary for assessing their environmental distribution and transport, and predict potential hazards. This information is also needed for selection and design of successful physical, chemical or biological environmental remediation proces...

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

NASA Astrophysics Data System (ADS)

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.

Transport and magnetic properties in topological materials

NASA Astrophysics Data System (ADS)

Liang, Tian