Symmetry properties of macroscopic transport coefficients in porous media
Lasseux, D.; Valdés-Parada, F. J.
2017-04-01
We report on symmetry properties of tensorial effective transport coefficients characteristic of many transport phenomena in porous systems at the macroscopic scale. The effective coefficients in the macroscopic models (derived by upscaling (volume averaging) the governing equations at the underlying scale) are obtained from the solution of closure problems that allow passing the information from the lower to the upper scale. The symmetry properties of the macroscopic coefficients are identified from a formal analysis of the closure problems and this is illustrated for several different physical mechanisms, namely, one-phase flow in homogeneous porous media involving inertial effects, slip flow in the creeping regime, momentum transport in a fracture relying on the Reynolds model including slip effects, single-phase flow in heterogeneous porous media embedding a porous matrix and a clear fluid region, two-phase momentum transport in homogeneous porous media, as well as dispersive heat and mass transport. The results from the analysis of these study cases are summarized as follows. For inertial single-phase flow, the apparent permeability tensor is irreducibly decomposed into its symmetric (viscous) and skew-symmetric (inertial) parts; for creeping slip-flow, the apparent permeability tensor is not symmetric; for one-phase slightly compressible gas flow in the slip regime within a fracture, the effective transmissivity tensor is symmetric, a result that remains valid in the absence of slip; for creeping one-phase flow in heterogeneous media, the permeability tensor is symmetric; for two-phase flow, we found the dominant permeability tensors to be symmetric, whereas the coupling tensors do not exhibit any special symmetry property; finally for dispersive heat transfer, the thermal conductivity tensors include a symmetric and a skew-symmetric part, the latter being a consequence of convective transport only. A similar result is achieved for mass dispersion. Beyond the
Macroscopic spin and charge transport theory
Institute of Scientific and Technical Information of China (English)
Li Da-Fang; Shi Jun-Ren
2009-01-01
According to the general principle of non-equilibrium thermodynamics, we propose a set of macroscopic transport equations for the spin transport and the charge transport. In particular, the spin torque is introduced as a generalized 'current density' to describe the phenomena associated with the spin non-conservation in a unified framework. The Einstein relations and the Onsager relations between different transport phenomena are established. Specifically, the spin transport properties of the isotropic non-magnetic and the isotropic magnetic two-dimensional electron gases are fully described by using this theory, in which only the macroscopic-spin-related transport phenomena allowed by the symmetry of the system are taken into account.
Energy Technology Data Exchange (ETDEWEB)
Colinart, T.; Lottin, O.; Maranzana, G.; Didierjean, S.; Moyne, C. [Nancy-Univ., Vandoeuvre-les-Nancy (France). Laboratoire d' Energetique et de Mecanique Theorique et Appliquee
2007-07-01
Because of their attractiveness as efficient and clean energy producers, proton exchange membrane fuel cells (PEMFC) can be used in automotive and small stationary applications. The electrochemical reaction takes place on two electrodes separated by a ionomer membrane. An important component of fuel cell water management and a problem for fuel cell performances involves the transport of protons from the anode to the cathode as its' transport properties are highly water dependent. Nafion membranes are widely used as an electrolyte for PEMFC. This paper presented a model to predict transport properties of polymer membranes such as Nafion used as electrolytes in a low temperature fuel cell. The paper discussed the electrical double layer that was used to determine surface charge density. The paper then discussed the analytical solution to the physical problem in the diffuse part of a cylindrical pore which involved solving the Poisson-Boltzmann, the Navier-Stokes and the Nernst-Planck equations. The properties of the electrolytic solution were equal to those of water and they were considered to be constant within the pore. A literature comparison with other models was also presented. It was concluded that in order to supplement the model, it is necessary to investigate the mechanics of the membrane, particularly the swelling behaviour, and the adsorption phenomena of the ions in the stern layer. 15 refs., 1 tab., 3 figs.
Taming macroscopic jamming in transportation networks
Ezaki, Takahiro; Nishinari, Katsuhiro
2015-01-01
In transportation networks, a spontaneous jamming transition is often observed, e.g in urban road networks and airport networks. Because of this instability, flow distribution is significantly imbalanced on a macroscopic level. To mitigate the congestion, we consider a simple control method, in which congested nodes are closed temporarily, and investigate how it influences the overall system. Depending on the timing of the node closure and opening, and congestion level of a network, the system displays three different phases: free-flow phase, controlled phase, and deadlock phase. We show that when the system is in the controlled phase, the average flow is significantly improved, whereas when in the deadlock phase, the flow drops to zero. We study how the control method increases the network flow and obtain their transition boundary analytically.
Macroscopic transport by synthetic molecular machines
Berna, J; Leigh, DA; Lubomska, M; Mendoza, SM; Perez, EM; Rudolf, P; Teobaldi, G; Zerbetto, F
2005-01-01
Nature uses molecular motors and machines in virtually every significant biological process, but demonstrating that simpler artificial structures operating through the same gross mechanisms can be interfaced with - and perform physical tasks in - the macroscopic world represents a significant hurdle
Determining the Macroscopic Properties of Relativistic Jets
Hardee, P. E.
2004-08-01
The resolved relativistic jets contain structures whose observed proper motions are typically assumed to indicate the jet flow speed. In addition to structures moving with the flow, various normal mode structures such as pinching or helical and elliptical twisting can be produced by ejection events or twisting perturbations to the jet flow. The normal mode structures associated with relativistic jets, as revealed by numerical simulation, theoretical calculation, and suggested by observation, move more slowly than the jet speed. The pattern speed is related to the jet speed by the sound speed in the jet and in the surrounding medium. In the event that normal mode structures are observed, and where proper motions of pattern and flow speed are available or can be estimated, it is possible to determine the sound speed in the jet and surrounding medium. Where spatial development of normal mode structures is observed, it is possible to make inferences as to the heating rate/macroscopic viscosity of the jet fluid. Ultimately it may prove possible to separate the microscopic energization of the synchrotron radiating particles from the macroscopic heating of the jet fluid. Here I present the relevant properties of useful normal mode structures and illustrate the use of this technique. Various aspects of the work presented here have involved collaboration with I. Agudo (Max-Planck, Bonn), M.A. Aloy (Max-Planck, Garching), J. Eilek (NM Tech), J.L. Gómez (U. Valencia), P. Hughes (U. Michigan), A. Lobanov (Max-Planck, Bonn), J.M. Martí (U. Valencia), & C. Walker (NRAO).
Macroscopic heat transport equations and heat waves in nonequilibrium states
Guo, Yangyu; Jou, David; Wang, Moran
2017-03-01
Heat transport may behave as wave propagation when the time scale of processes decreases to be comparable to or smaller than the relaxation time of heat carriers. In this work, a generalized heat transport equation including nonlinear, nonlocal and relaxation terms is proposed, which sums up the Cattaneo-Vernotte, dual-phase-lag and phonon hydrodynamic models as special cases. In the frame of this equation, the heat wave propagations are investigated systematically in nonequilibrium steady states, which were usually studied around equilibrium states. The phase (or front) speed of heat waves is obtained through a perturbation solution to the heat differential equation, and found to be intimately related to the nonlinear and nonlocal terms. Thus, potential heat wave experiments in nonequilibrium states are devised to measure the coefficients in the generalized equation, which may throw light on understanding the physical mechanisms and macroscopic modeling of nanoscale heat transport.
Macroscopic Modeling of Transport Phenomena in Direct Methanol Fuel Cells
DEFF Research Database (Denmark)
Olesen, Anders Christian
An increasing need for energy efficiency and high energy density has sparked a growing interest in direct methanol fuel cells for portable power applications. This type of fuel cell directly generates electricity from a fuel mixture consisting of methanol and water. Although this technology...... for studying their transport. In this PhD dissertation the macroscopic transport phenomena governing direct methanol fuel cell operation are analyzed, discussed and modeled using the two-fluid approach in the computational fluid dynamics framework of CFX 14. The overall objective of this work is to extend...... the present fundamental understanding of direct methanol fuel cell operation by developing a three-dimensional, two-phase, multi-component, non-isotherm mathematical model including detailed non-ideal thermodynamics, non-equilibrium phase change and non-equilibrium sorption-desorption of methanol and water...
Transport processes in macroscopically disordered media from mean field theory to percolation
Snarskii, Andrei A; Sevryukov, Vladimir A; Morozovskiy, Alexander; Malinsky, Joseph
2016-01-01
This book reflects on recent advances in the understanding of percolation systems to present a wide range of transport phenomena in inhomogeneous disordered systems. Further developments in the theory of macroscopically inhomogeneous media are also addressed. These developments include galvano-electric, thermoelectric, elastic properties, 1/f noise and higher current momenta, Anderson localization, and harmonic generation in composites in the vicinity of the percolation threshold. The book describes how one can find effective characteristics, such as conductivity, dielectric permittivity, magnetic permeability, with knowledge of the distribution of different components constituting an inhomogeneous medium. Considered are a wide range of recent studies dedicated to the elucidation of physical properties of macroscopically disordered systems. Aimed at researchers and advanced students, it contains a straightforward set of useful tools which will allow the reader to derive the basic physical properties of compli...
Statistical thermodynamics understanding the properties of macroscopic systems
Fai, Lukong Cornelius
2012-01-01
Basic Principles of Statistical PhysicsMicroscopic and Macroscopic Description of StatesBasic PostulatesGibbs Ergodic AssumptionGibbsian EnsemblesExperimental Basis of Statistical MechanicsDefinition of Expectation ValuesErgodic Principle and Expectation ValuesProperties of Distribution FunctionRelative Fluctuation of an Additive Macroscopic ParameterLiouville TheoremGibbs Microcanonical EnsembleMicrocanonical Distribution in Quantum MechanicsDensity MatrixDensity Matrix in Energy RepresentationEntropyThermodynamic FunctionsTemperatureAdiabatic ProcessesPressureThermodynamic IdentityLaws of Th
Flagella bending affects macroscopic properties of bacterial suspensions
Energy Technology Data Exchange (ETDEWEB)
Potomkin, M.; Tournus, M.; Berlyand, L. V.; Aranson, I. S.
2017-05-01
To survive in harsh conditions, motile bacteria swim in complex environments and respond to the surrounding flow. Here, we develop a mathematical model describing how flagella bending affects macroscopic properties of bacterial suspensions. First, we show how the flagella bending contributes to the decrease in the effective viscosity observed in dilute suspension. Our results do not impose tumbling (random reorientation) as was previously done to explain the viscosity reduction. Second, we demonstrate how a bacterium escapes from wall entrapment due to the self-induced buckling of flagella. Our results shed light on the role of flexible bacterial flagella in interactions of bacteria with shear flow and walls or obstacles.
Properties of nuclear matter from macroscopic-microscopic mass formulas
Wang, Ning; Liu, Min; Ou, Li; Zhang, Yingxun
2015-12-01
Based on the standard Skyrme energy density functionals together with the extended Thomas-Fermi approach, the properties of symmetric and asymmetric nuclear matter represented in two macroscopic-microscopic mass formulas: Lublin-Strasbourg nuclear drop energy (LSD) formula and Weizsäcker-Skyrme (WS*) formula, are extracted through matching the energy per particle of finite nuclei. For LSD and WS*, the obtained incompressibility coefficients of symmetric nuclear matter are K∞ = 230 ± 11 MeV and 235 ± 11 MeV, respectively. The slope parameter of symmetry energy at saturation density is L = 41.6 ± 7.6 MeV for LSD and 51.5 ± 9.6 MeV for WS*, respectively, which is compatible with the liquid-drop analysis of Lattimer and Lim [4]. The density dependence of the mean-field isoscalar and isovector effective mass, and the neutron-proton effective masses splitting for neutron matter are simultaneously investigated. The results are generally consistent with those from the Skyrme Hartree-Fock-Bogoliubov calculations and nucleon optical potentials, and the standard deviations are large and increase rapidly with density. A better constraint for the effective mass is helpful to reduce uncertainties of the depth of the mean-field potential.
Properties of nuclear matter from macroscopic-microscopic mass formulas
Wang, Ning; Ou, Li; Zhang, Yingxun
2015-01-01
Based on the standard Skyrme energy density functionals together with the extended Thomas-Fermi approach, the properties of symmetric and asymmetric nuclear matter represented in two macroscopic-microscopic mass formulas: Lublin-Strasbourg nuclear drop energy (LSD) formula and Weizs\\"acker-Skyrme (WS*) formula, are extracted through matching the energy per particle of finite nuclei. For LSD and WS*, the obtained incompressibility coefficients of symmetric nuclear matter are $K_\\infty=230 \\pm 11$ MeV and $235\\pm 11$ MeV, respectively. The slope parameter of symmetry energy at saturation density is $L=41.6\\pm 7.6$ MeV for LSD and $51.5\\pm 9.6$ MeV for WS*, respectively, which is compatible with the liquid-drop analysis of Lattimer and Lim [ApJ. \\textbf{771}, 51 (2013)]. The density dependence of the mean-field isoscalar and isovector effective mass, and the neutron-proton effective masses splitting for neutron matter are simultaneously investigated. The results are generally consistent with those from the Skyrm...
Macroscopic diffusive transport in a microscopically integrable Hamiltonian system.
Prosen, Tomaž; Zunkovič, Bojan
2013-07-26
We demonstrate that a completely integrable classical mechanical model, namely the lattice Landau-Lifshitz classical spin chain, supports diffusive spin transport with a finite diffusion constant in the easy-axis regime, while in the easy-plane regime, it displays ballistic transport in the absence of any known relevant local or quasilocal constant of motion in the symmetry sector of the spin current. This surprising finding should open the way towards analytical computation of diffusion constants for integrable interacting systems and hints on the existence of new quasilocal classical conservation laws beyond the standard soliton theory.
Molecular motor traffic: From biological nanomachines to macroscopic transport
Lipowsky, Reinhard; Chai, Yan; Klumpp, Stefan; Liepelt, Steffen; Müller, Melanie J. I.
2006-12-01
All cells of animals and plants contain complex transport systems based on molecular motors which walk along cytoskeletal filaments. These motors are rather small and have a size of 20-100 nm but are able to pull vesicles, organelles and other types of cargo over large distances, from micrometers up to meters. There are several families of motors: kinesins, dyneins, and myosins. Most of these motors have two heads which are used as legs and perform discrete steps along the filaments. Several aspects of the motor behavior will be discussed: motor cycles of two-headed motors; walks of single motors or cargo particles which consist of directed movements interrupted by random, diffusive motion; cargo transport through tube-like compartments; active diffusion of cargo particles in slab-like compartments; cooperative transport of cargo by several motors which may be uni- or bi-directional; and systems with many interacting motors that exhibit traffic jams, self-organized density and flux patterns, and traffic phase transitions far from equilibrium. It is necessary to understand these traffic phenomena in a quantitative manner in order to construct and optimize biomimetic transport systems based on motors and filaments with many possible applications in bioengineering, pharmacology, and medicine.
Microstructure and macroscopic properties of polydisperse systems of hard spheres
Ogarko, Vitaliy Anatolyevich
2014-01-01
This dissertation describes an investigation of systems of polydisperse smooth hard spheres. This includes the development of a fast contact detection algorithm for computer modelling, the development of macroscopic constitutive laws that are based on microscopic features such as the moments of the
Microstructure and macroscopic properties of polydisperse systems of hard spheres
Ogarko, V.
2014-01-01
This dissertation describes an investigation of systems of polydisperse smooth hard spheres. This includes the development of a fast contact detection algorithm for computer modelling, the development of macroscopic constitutive laws that are based on microscopic features such as the moments of the
COMBINATION OF MACROSCOPIC AND MICROSCOPIC TRANSPORT SIMULATION MODELS: USE CASE IN CYPRUS
Directory of Open Access Journals (Sweden)
Evangelos Mitsakis
2014-06-01
Full Text Available The present paper presents the transportation planning methodology applied in the city of Nicosia, Cyprus, within the framework of Nicosia’s “Integrated Mobility Master Plan”. Unique characteristics of the capital of Cyprus, such as the sparse coverage, low service quality and even lower market penetration of the public transport network, the inadequate parking policy applied and the car-centred mobility culture of the local citizens have provided the motivation for a “redesign” of the classic four-step transport modelling process by combining static and dynamic, macroscopic and microscopic transportation analysis models, in order to support the city’s decision makers.
Correlations between Nanoindentation Hardness and Macroscopic Mechanical Properties in DP980 Steels
Energy Technology Data Exchange (ETDEWEB)
Taylor, Mark D.; Choi, Kyoo Sil; Sun, Xin; Matlock, David K.; Packard, Corrine; Xu, Le; Barlat, Frederic
2014-03-01
Multiphase advanced high strength steels (AHSS) are being increasingly used in the automotive industry due to their low cost, good availability and excellent combination of strength and ductility. There is a keen interest from the automotive and steel industry for more fundamental understandings on the key microstructure features influencing the macroscopic properties, i.e., tensile properties, hole-expansion ratio and localized formability of AHSS. In this study, the micro- and macro-level properties for eight commercial DP980 steels are first characterized and quantified with various experimental methods. Correlations between macroscopic-level properties and relationships between various micro- and macro- properties for these steels are then established based on the experimental measurements. It is found that, despite their differences in their chemistry, processing parameters and sheet thickness, the eight DP980 steels do have common microstructural level properties governing their specific macroscopic properties in terms of strength, elongation and hole expansion performance.
Macroscopic behavior and microscopic magnetic properties of nanocarbon
Energy Technology Data Exchange (ETDEWEB)
Lähderanta, E., E-mail: Erkki.Lahderanta@lut.fi [Lappeenranta University of Technology, PO Box 20, FIN-53851 Lappeenranta (Finland); Ryzhov, V.A. [Lappeenranta University of Technology, PO Box 20, FIN-53851 Lappeenranta (Finland); Petersburg Nuclear Physics Institute, NRC “Kurchatov Institute”, Orlova Coppice, Gatchina, Leningrad province 188300 (Russian Federation); Lashkul, A.V. [Lappeenranta University of Technology, PO Box 20, FIN-53851 Lappeenranta (Finland); Galimov, D.M. [Lappeenranta University of Technology, PO Box 20, FIN-53851 Lappeenranta (Finland); South Ural State University, 454080 Chelyabinsk (Russian Federation); Titkov, A.N. [Lappeenranta University of Technology, PO Box 20, FIN-53851 Lappeenranta (Finland); A. F. Ioffe Physico-Technical Institute, 194021 St. Petersburg (Russian Federation); Matveev, V.V. [Lappeenranta University of Technology, PO Box 20, FIN-53851 Lappeenranta (Finland); Saint-Petersburg State University, Saint-Petersburg 198504 (Russian Federation); Mokeev, M.V. [Institute of Macromolecular Compounds, Russian Academy of Sciences, St. Petersburg (Russian Federation); Kurbakov, A.I. [Petersburg Nuclear Physics Institute, NRC “Kurchatov Institute”, Orlova Coppice, Gatchina, Leningrad province 188300 (Russian Federation); Lisunov, K.G. [Lappeenranta University of Technology, PO Box 20, FIN-53851 Lappeenranta (Finland); Institute of Applied Physics ASM, Academiei Str., 5, MD 2028 Kishinev (Moldova, Republic of)
2015-06-01
Here are presented investigations of powder and glass-like samples containing carbon nanoparticles, not intentionally doped and doped with Ag, Au and Co. The neutron diffraction study reveals an amorphous structure of the samples doped with Au and Co, as well as the magnetic scattering due to a long-range FM order in the Co-doped sample. The composition and molecular structure of the sample doped with Au is clarified with the NMR investigations. The temperature dependence of the magnetization, M (T), exhibits large irreversibility in low fields of B=1–7 mT. M (B) saturates already above 2 T at high temperatures, but deviates from the saturation behavior below ~50 (150 K). Magnetic hysteresis is observed already at 300 K and exhibits a power-law temperature decay of the coercive field, B{sub c} (T). The macroscopic behavior above is typical of an assembly of partially blocked magnetic nanoparticles. The values of the saturation magnetization, M{sub s}, and the blocking temperature, T{sub b}, are obtained as well. However, the hysteresis loop in the Co-doped sample differs from that in other samples, and the values of B{sub c} and M{sub s} are noticeably increased. - Highlights: • We have investigated powder and glassy samples with carbon nanoparticles. • They include an undoped sample and those doped with Ag, Au and Co. • Neutron diffraction study reveals amorphous structure of Au- and Co-doped samples. • Composition and molecular structure of Au-doped sample was investigated with NMR. • Magnetic behavior is typical of an assembly of partially blocked magnetic nanoparticles.
Macroscopic states induced in superconducting media by a transport current under flux creep
Romanovskii, V. R.
2016-08-01
The physical features of the formation of macroscopic states of superconducting composites consisting of a superconductor and a coating under flux creep are discussed. It is demonstrated that there exist characteristic electric field strengths depending on the properties of the superconductor, cooling conditions, and characteristics of the stabilizing coating, which affect the intensity of the E-I characteristics of the superconducting composites. Analysis shows that the measurements of the critical properties of superconductors can be accompanied by a nonuniform electric field distribution over the composite cross section and high stable superheating of the superconductor, which do not lead to superconductivity breaking.
Gatsonis, Nikos A.; Alexandrou, Andreas; Shi, Hui; Ongewe, Bernard; Sacco, Albert, Jr.
1999-01-01
Crystals grown from liquid solutions have important industrial applications. Zeolites, for instance, a class of crystalline aluminosilicate materials, form the backbone of the chemical process industry worldwide, as they are used as adsorbents and catalysts. Many of the phenomena associated with crystal growth processes are not well understood due to complex microscopic and macroscopic interactions. Microgravity could help elucidate these phenomena and allow the control of defect locations, concentration, as well as size of crystals. Microgravity in an orbiting spacecraft could help isolate the possible effects of natural convection (which affects defect formation) and minimize sedimentation. In addition, crystals will stay essentially suspended in the nutrient pool under a diffusion-limited growth condition. This is expected to promote larger crystals by allowing a longer residence time in a high-concentration nutrient field. Among other factors, the crystal size distribution depends on the nucleation rate and crystallization. These two are also related to the "gel" polymerization/depolymerization rate. Macroscopic bulk mass and flow transport and especially gravity, force the crystals down to the bottom of the reactor, thus forming a sedimentation layer. In this layer, the growth rate of the crystals slows down as crystals compete for a limited amount of nutrients. The macroscopic transport phenomena under certain conditions can, however, enhance the nutrient supply and therefore, accelerate crystal growth. Several zeolite experiments have been performed in space with mixed results. The results from our laboratory have indicated an enhancement in size of 30 to 70 percent compared to the best ground based controls, and a reduction of lattice defects in many of the space grown crystals. Such experiments are difficult to interpret, and cannot be easily used to derive empirical or other laws since many physical parameters are simultaneously involved in the process
Correlation of macroscopic material properties with microscopic nuclear data
Energy Technology Data Exchange (ETDEWEB)
Simons, R.L.
1981-12-18
Two primary irradiation-induced changes occur during neutron irradiation: the displacement of atoms forming crystal defects and the transmutation of atoms into either gaseous or solid products. The material scientist studying irradiation damage to material by fusion-produced neutrons is faced with several questions: Is the nature of high-energy (14-MeV) displacement damage the same as or different from that caused by fission neutrons (< 2 MeV). How do the high helium concentrations expected in a fusion environment affect the material properties. What effects do solid transmutation products have on the behavior of the irradiated materials. In the past few years, much work has been done to answer these questions. This paper reviews recent work in this area.
Energy Technology Data Exchange (ETDEWEB)
Heuer, Andreas [Institut fuer Physikalische Chemie, Westfaelische Wilhelms-Universitaet Muenster, D-48149 Muenster, Corrensstrasse 30 (Germany)
2008-09-17
In this review a systematic analysis of the potential energy landscape (PEL) of glass-forming systems is presented. Starting from the thermodynamics, the route towards the dynamics is elucidated. A key step in this endeavor is the concept of metabasins. The relevant energy scales of the PEL can be characterized. Based on the simulation results for some glass-forming systems one can formulate a relevant model system (ideal Gaussian glass-former) which can be treated analytically. The macroscopic transport can be related to the microscopic hopping processes, using either the strong relation between energy (thermodynamics) and waiting times (dynamics) or, alternatively, the concepts of the continuous-time random walk. The relation to the geometric properties of the PEL is stressed. The emergence of length scales within the PEL approach as well as the nature of finite-size effects is discussed. Furthermore, the PEL view is compared to other approaches describing the glass transition. (topical review)
DEFF Research Database (Denmark)
Eitelberger, Johannes; Svensson, Staffan; Hofstetter, Karin
2011-01-01
The macroscopic formulation of moisture transport in wood below the fiber saturation point has motivated many research efforts in the past two decades. Many experiments demonstrated the difference in steady state and transient moisture transport and the inadequacy of models derived for steady state...
Rowe, D. J.; Turner, P. S.; Rosensteel, G.
2004-11-01
The asymptotic spectra and scaling properties of a mixed-symmetry Hamiltonian, which exhibits a second-order phase transition in its macroscopic limit, are examined for a system of N interacting bosons. A second interacting boson-model Hamiltonian, which exhibits a first-order phase transition, is also considered. The latter shows many parallel characteristics and some notable differences, leaving it open to question as to the nature of its asymptotic critical-point properties.
Control of a five motors web transport system based on the Energetic Macroscopic Representation
Directory of Open Access Journals (Sweden)
Hachemi Glaoui,
2011-02-01
Full Text Available The objective is to control a web transport system with winder and unwinder for elastic material. A physical mod-eling of this plant is made based on the general laws of physics. For this type of controlproblem, it is extremely important to prevent the occurrence of web break or fold by decoupling the web tension and the web velocity. Due to the wide-range variation of the radius and inertia of the rollers the system dynamics change considerably during the winding/unwinding process The system is composed of five paper rollers and a tensioning roller. A control structure is suggested for this system. This control is deduced from an Energetic Macroscopic Representation of the system. Neither robust control strategy nor mechanical emulation is required, but this control needs a large number of controllers.
Xiong, Yuting; Jiang, Ge; Li, Minmin; Qing, Guangyan; Li, Xiuling; Liang, Xinmiao; Sun, Taolei
2017-01-01
Biological systems that utilize multiple weak non-covalent interactions and hierarchical assemblies to achieve various bio-functions bring much inspiration for the design of artificial biomaterials. However, it remains a big challenge to correlate underlying biomolecule interactions with macroscopic level of materials, for example, recognizing such weak interaction, further transforming it into regulating material’s macroscopic property and contributing to some new bio-applications. Here we designed a novel smart polymer based on polyacrylamide (PAM) grafted with lactose units (PAM-g-lactose0.11), and reported carbohydrate-carbohydrate interaction (CCI)-promoted macroscopic properties switching on this smart polymer surface. Detailed investigations indicated that the binding of sialic acid molecules with the grafted lactose units via the CCIs induced conformational transformation of the polymer chains, further resulted in remarkable and reversible switching in surface topography, wettability and stiffness. With these excellent recognition and response capacities towards sialic acid, the PAM-g-lactose0.11 further facilitated good selectivity, strong anti-interference and high adsorption capacity in the capture of sialylated glycopeptides (important biomarkers for cancers). This work provides some enlightenment for the development of biointerface materials with tunable property, as well as high-performance glycopeptide enrichment materials. PMID:28084463
Xiong, Yuting; Jiang, Ge; Li, Minmin; Qing, Guangyan; Li, Xiuling; Liang, Xinmiao; Sun, Taolei
2017-01-01
Biological systems that utilize multiple weak non-covalent interactions and hierarchical assemblies to achieve various bio-functions bring much inspiration for the design of artificial biomaterials. However, it remains a big challenge to correlate underlying biomolecule interactions with macroscopic level of materials, for example, recognizing such weak interaction, further transforming it into regulating material’s macroscopic property and contributing to some new bio-applications. Here we designed a novel smart polymer based on polyacrylamide (PAM) grafted with lactose units (PAM-g-lactose0.11), and reported carbohydrate-carbohydrate interaction (CCI)-promoted macroscopic properties switching on this smart polymer surface. Detailed investigations indicated that the binding of sialic acid molecules with the grafted lactose units via the CCIs induced conformational transformation of the polymer chains, further resulted in remarkable and reversible switching in surface topography, wettability and stiffness. With these excellent recognition and response capacities towards sialic acid, the PAM-g-lactose0.11 further facilitated good selectivity, strong anti-interference and high adsorption capacity in the capture of sialylated glycopeptides (important biomarkers for cancers). This work provides some enlightenment for the development of biointerface materials with tunable property, as well as high-performance glycopeptide enrichment materials.
Biphasic flow: structure and upscaling, consequences on macroscopic transport properties
Toussaint, Renaud; Méheust, Yves; Løvoll, Grunde; Jankov, Mihailo; Schäfer, Gerhard; Schmittbuhl, Jean
2012-01-01
In disordered porous media, two-phase flow of immiscible fluids (biphasic flow) is organized in patterns that sometimes exhibit fractal geometries over a range of length scales, depending on the capillary, gravitational and viscous forces at play. These forces, as well as the boundary conditions, also determine whether the flow leads to the appearance of fingering pathways, i.e., unstable flow, or not. We present here a short review of these aspects, focusing on drainage and summarizing when these flows are expected to be stable or not, what fractal dimensions can be expected, and in which range of scales. We base our review on experimental studies performed in two-dimensional Hele-Shaw cells, or addressing three dimensional porous media by use of several imaging techniques. We first present configurations in which solely capillary forces and gravity play a role. Next, we review configurations in which capillarity and viscosity are the main forces at play. Eventually, we examine how the microscopic geometry o...
CH-π Interaction Driven Macroscopic Property Transition on Smart Polymer Surface
Li, Minmin; Qing, Guangyan; Xiong, Yuting; Lai, Yuekun; Sun, Taolei
2015-10-01
Life systems have evolved to utilize weak noncovalent interactions, particularly CH-π interaction, to achieve various biofunctions, for example cellular communication, immune response, and protein folding. However, for artificial materials, it remains a great challenge to recognize such weak interaction, further transform it into tunable macroscopic properties and realize special functions. Here we integrate monosaccharide-based CH-π receptor capable of recognizing aromatic peptides into a smart polymer with three-component “Recognition-Mediating-Function” design, and report the CH-π interaction driven surface property switching on smart polymer film, including wettability, adhesion, viscoelasticity and stiffness. Detailed studies indicate that, the CH-π interaction induces the complexation between saccharide unit and aromatic peptide, which breaks the initial amphiphilic balance of the polymer network, resulting in contraction-swelling conformational transition for polymer chains and subsequent dramatic switching in surface properties. This work not only presents a new approach to control the surface property of materials, but also points to a broader research prospect on CH-π interaction at a macroscopic level.
CH-π Interaction Driven Macroscopic Property Transition on Smart Polymer Surface.
Li, Minmin; Qing, Guangyan; Xiong, Yuting; Lai, Yuekun; Sun, Taolei
2015-10-29
Life systems have evolved to utilize weak noncovalent interactions, particularly CH-π interaction, to achieve various biofunctions, for example cellular communication, immune response, and protein folding. However, for artificial materials, it remains a great challenge to recognize such weak interaction, further transform it into tunable macroscopic properties and realize special functions. Here we integrate monosaccharide-based CH-π receptor capable of recognizing aromatic peptides into a smart polymer with three-component "Recognition-Mediating-Function" design, and report the CH-π interaction driven surface property switching on smart polymer film, including wettability, adhesion, viscoelasticity and stiffness. Detailed studies indicate that, the CH-π interaction induces the complexation between saccharide unit and aromatic peptide, which breaks the initial amphiphilic balance of the polymer network, resulting in contraction-swelling conformational transition for polymer chains and subsequent dramatic switching in surface properties. This work not only presents a new approach to control the surface property of materials, but also points to a broader research prospect on CH-π interaction at a macroscopic level.
Ground State Properties of Superheavy Nuclei in Macroscopic-Microscopic Model
Institute of Scientific and Technical Information of China (English)
ZHI Qi-Jun; REN Zhong-Zhou; ZHANG Xiao-Ping; ZHENG Qiang
2008-01-01
The ground state properties of superheavy nuclei are systematically calculated by the macroscopic-microscopic (MM) model with the Nilsson potential The calculations well produced the ground state binding energies,a-decay energies,and half lives of superheavy nuclei.The calculated results are systematically compared with available experimental data.The calculated results are also compared with theoretical results from other MM models and from relativistic mean-field model.The calculations and comparisons show that the MM model is reliable in superheavy region and that the MM model results are not very sensitive to the choice of microscopic single-particle potential.
Energy Technology Data Exchange (ETDEWEB)
Srivastava, Vikram K [ORNL; Quinlan, Ronald [ORNL; Agapov, Alexander L [ORNL; Dunlap, John R [ORNL; Nelson, Kimberly M [ORNL; Duranty, Edward R [ORNL; Sokolov, Alexei P [ORNL; Bhat, Gajanan [ORNL; Mays, Jimmy [ORNL
2014-01-01
The excellent properties exhibited by monolayer graphene have spurred the development of exfoliation techniques using bulk graphite to produce large quantities of pristine monolayer sheets. Development of simple chemistry to exfoliate and intercalate graphite and graphite mimics in large quantities is required for numerous applications. To determine the macroscopic behavior of restacked, exfoliated bulk materials, a systematic approach is presented using a simple, redox-liquid sonication process along to obtain large quantities of 2D and 3D hexagonally layered graphite, molybdenum disulfi de, and boron nitride, which are subsequently characterized to observe chemical and structural changes. For MoS 2 sonicated with the antioxidant sodium bisulfi te, results from Raman spectroscopy, X-ray diffraction, and electron microscopy indicate the presence of distorted phases from different polymorphs, and apparent nanotube structures in the bulk, restacked powder. Furthermore, using thermograviemtric analysis, the antioxidant enhances the resistance to oxidative degradation of MoS 2 , upon thermal treatment up to 900 C. The addition of the ionic antioxidant decreased dispersion stability in non-polar solvent, suggesting decreased compatibility with non-polar systems. Using simple chemical methods, the ability to generate tailored multidimensional layered materials with unique macroscopic properties is critical for numerous applications, including electrical devices, reinforced polymer composites, lithium ion capacitors, and chemical sensing.
Macroscopic-microscopic calculations of ground state properties of superheavy nuclei
Institute of Scientific and Technical Information of China (English)
ZHI Qi-jun; Mao Ying-chen; REN Zhong-zhou
2006-01-01
We systematically calculate the ground state properties of superheavy even-even nuclei with proton number Z=94-118.The calculations are based on the liquid drop macroscopic model and the microscopic model with the modified single-particle oscillator potential. The calculated binding energies and α-decay energies agree well with the experimental data.The reliability of the macroscopic-microscopic(MM)model for superheavy nuclei is confirmed by the good agreement between calculated results and experimental ones. Detailed comparisons between our calculations and M(o)ller's are made.It is found that the calculated results also agree with M(o)ller's results and that the MM model is insensitive to the microscopic single-particle potential. Calculated results are also compared with results from relativistic mean-field (RMF)model and from Skyrme-Hatree-Fock(SHF) model.In addition,half-lives,deformations and shape coexistence are also investigated.The properties of some unknown nuclei are predicted and they will be useful for future experimental researches of superheavy nuclei.
A new methodology for determination of macroscopic transport parameters in drying porous media
Attari Moghaddam, A.; Kharaghani, A.; Tsotsas, E.; Prat, M.
2015-12-01
Two main approaches have been used to model the drying process: The first approach considers the partially saturated porous medium as a continuum and partial differential equations are used to describe the mass, momentum and energy balances of the fluid phases. The continuum-scale models (CM) obtained by this approach involve constitutive laws which require effective material properties, such as the diffusivity, permeability, and thermal conductivity which are often determined by experiments. The second approach considers the material at the pore scale, where the void space is represented by a network of pores (PN). Micro- or nanofluidics models used in each pore give rise to a large system of ordinary differential equations with degrees of freedom at each node of the pore network. In this work, the moisture transport coefficient (D), the pseudo desorption isotherm inside the network and at the evaporative surface are estimated from the post-processing of the three-dimensional pore network drying simulations for fifteen realizations of the pore space geometry from a given probability distribution. A slice sampling method is used in order to extract these parameters from PN simulations. The moisture transport coefficient obtained in this way is shown in Fig. 1a. The minimum of average D values demonstrates the transition between liquid dominated moisture transport region and vapor dominated moisture transport region; a similar behavior has been observed in previous experimental findings. A function is fitted to the average D values and then is fed into the non-linear moisture diffusion equation. The saturation profiles obtained from PN and CM simulations are shown in Fig. 1b. Figure 1: (a) extracted moisture transport coefficient during drying for fifteen realizations of the pore network, (b) average moisture profiles during drying obtained from PN and CM simulations.
Lester, D. R.; Trefry, M. G.; Metcalfe, G.
2016-11-01
The macroscopic spreading and mixing of solute plumes in saturated porous media is ultimately controlled by processes operating at the pore scale. Whilst the conventional picture of pore-scale mechanical dispersion and molecular diffusion leading to persistent hydrodynamic dispersion is well accepted, this paradigm is inherently two-dimensional (2D) in nature and neglects important three-dimensional (3D) phenomena. We discuss how the kinematics of steady 3D flow at the pore scale generate chaotic advection-involving exponential stretching and folding of fluid elements-the mechanisms by which it arises and implications of microscopic chaos for macroscopic dispersion and mixing. Prohibited in steady 2D flow due to topological constraints, these phenomena are ubiquitous due to the topological complexity inherent to all 3D porous media. Consequently 3D porous media flows generate profoundly different fluid deformation and mixing processes to those of 2D flow. The interplay of chaotic advection and broad transit time distributions can be incorporated into a continuous-time random walk (CTRW) framework to predict macroscopic solute mixing and spreading. We show how these results may be generalised to real porous architectures via a CTRW model of fluid deformation, leading to stochastic models of macroscopic dispersion and mixing which both honour the pore-scale kinematics and are directly conditioned on the pore-scale architecture.
Lester, D R; Metcalfe, Guy
2016-01-01
The macroscopic spreading and mixing of solute plumes in saturated porous media is ultimately controlled by processes operating at the pore scale. Whilst the conventional picture of pore-scale mechanical dispersion and molecular diffusion leading to persistent hydrodynamic dispersion is well accepted, this paradigm is inherently two-dimensional (2D) in nature and neglects important three-dimensional (3D) phenomena. We discuss how the kinematics of steady 3D flow at the porescale generate chaotic advection, involving exponential stretching and folding of fluid elements,the mechanisms by which it arises and implications of microscopic chaos for macroscopic dispersion and mixing. Prohibited in steady 2D flow due to topological constraints, these phenomena are ubiquitous due to the topological complexity inherent to all 3D porous media. Consequently 3D porous media flows generate profoundly different fluid deformation and mixing processes to those of 2D flow. The interplay of chaotic advection and broad transit t...
Zhang, Qing; Le Roy, Robert; VANDAMME, Mathieu; ZUBER, Bruno
2014-01-01
This study is dedicated to comparing minutes-long microindentation creep experiments on cement paste with years-long macroscopic creep experiments on concrete and months-long macroscopic creep experiments on cement paste. For all experiments, after a transient period the creep function was well captured by a logarithmic function of time, the amplitude of which is governed by a so-called creep modulus. The non-logarithmic transient periods lasted for days at the macroscopic scale, but only for...
Galanti, Marta; Fanelli, Duccio; Piazza, Francesco
2016-08-01
Describing particle transport at the macroscopic or mesoscopic level in non-ideal environments poses fundamental theoretical challenges in domains ranging from inter and intra-cellular transport in biology to diffusion in porous media. Yet, often the nature of the constraints coming from many-body interactions or reflecting a complex and confining environment are better understood and modeled at the microscopic level. In this paper we review the subtle link between microscopic exclusion processes and the mean-field equations that ensue from them in the continuum limit. We show that in an inhomogeneous medium, i.e. when jumps are controlled by site-dependent hopping rates, one can obtain three different nonlinear advection-diffusion equations in the continuum limit, suitable for describing transport in the presence of quenched disorder and external fields, depending on the particular rule embodying site inequivalence at the microscopic level. In a situation that might be termed point-like scenario, when particles are treated as point-like objects, the effect of crowding as imposed at the microscopic level manifests in the mean-field equations only if some degree of inhomogeneity is enforced into the model. Conversely, when interacting agents are assigned a finite size, under the more realistic extended crowding framework, exclusion constraints persist in the unbiased macroscopic representation.
Directory of Open Access Journals (Sweden)
Marta Galanti
2016-08-01
Full Text Available Describing particle transport at the macroscopic or mesoscopic level in non-ideal environments poses fundamental theoretical challenges in domains ranging from inter and intra-cellular transport in biology to diffusion in porous media. Yet, often the nature of the constraints coming from many-body interactions or reflecting a complex and confining environment are better understood and modeled at the microscopic level.In this paper we review the subtle link between microscopic exclusion processes and the mean-field equations that ensue from them in the continuum limit. We show that in an inhomogeneous medium, i.e. when jumps are controlled by site-dependent hopping rates, one can obtain three different nonlinear advection-diffusion equations in the continuum limit, suitable for describing transport in the presence of quenched disorder and external fields, depending on the particular rule embodying site inequivalence at the microscopic level. In a situation that might be termed point-like scenario, when particles are treated as point-like objects, the effect of crowding as imposed at the microscopic level manifests in the mean-field equations only if some degree of inhomogeneity is enforced into the model. Conversely, when interacting agents are assigned a finite size, under the more realistic extended crowding framework, exclusion constraints persist in the unbiased macroscopic representation.
Nanocomposites fabrication by self-assembly method to modify macroscopic properties
Lopez-Barbosa, N.; Osma, J. F.
2017-01-01
Polymeric nanocomposites have been in the scope of scientists for the last decade due to their multiple applications and simple synthesis. Self-assembly fabrication can be performed through different methods such as layer-by-layer or the controlled growth of nanostructures on a surface. These methods allow fast elaboration of nanocomposites that can be readily integrated in sensors or films. The current work exposes the self-assembly of nanocomposites for the modification of material’s macroscopic properties such as hydrophobicity and temperature’s resistance on textiles. Hydrophobicity properties of cotton textiles were modified by the application of functionalized silica nanoparticles on their surfaces. Thermal resistance of cotton textiles was achieved by incorporating TiO2 nanoparticles into the matrix, increasing the scope of their applications. Functionalization was attained by chloro-trimethyl-silane (CTS) and γ-amino(propyl) triethoxy silane (APTES) in organic and inorganic solvents. Wetting phenomena characteristics appeared to highly depend on the synthesis parameters.
Ignat'ev, Yu G
2015-01-01
The article proposes generalizations of the macroscopic model of plasma of scalar charged particles to the cases of inter-particle interaction with multiple scalar fields and negative effective masses of these particles. The model is based on the microscopic dynamics of a particle at presence of scalar fields. The theory is managed to be generalized naturally having strictly reviewed a series of its key positions depending on a sign of particle masses. Thereby, it is possible to remove the artificial restriction contradicting the more fundamental principle of action functional additivity. Additionally, as a condition of internal consistency of the theory, particle effective mass function is found.
Cheng, Penghui
2016-07-01
Fuel mixture formation and spray characteristics are crucial for the advancement of Gasoline Compression Ignition (GCI) engine. For investigations of spray characteristics, a high-pressure high-temperature spray chamber with constant volume has been designed, tested and commissioned at CCRC, KAUST. Back light illumination technique has been applied to investigate the macroscopic spray properties of an outwardly opening piezoelec- tric injector. Three parameters including injection pressure, ambient pressure, and ambient temperature have been involved. A total of 18 combinations of experimental conditions were tested under non-reactive conditions. Through qualitative analysis of spray morphology under different operating conditions, an apparent distinction of spray morphology has been noticed. Spray morphology and propagation have shown strong dependencies on ambient pressure and ambient tempera- ture while injection pressure has a negligible effect on spray shape. Increasingly compact and bushier spray patterns were observed in the cases of high ambient pressure due to in- creasing aerodynamic drag force on spray boundary. It should also be noted that ambient temperature plays a fairly important role in fuel evaporation rate. At 200 °C, oscillating and considerably short spray shape was produced. Also, circumferential ring-like vortices and distinctive string-like structures have been identified for the fuel spray exiting this hollow cone injector. It has been observed that high ambient pressure conditions (Pamb = 4 bar and 10.5 bar) are favorable to the vortices generation, which has also been reported in previous literature. The quantitative description of macroscopic spray properties reveals that ambient pres- sure and ambient temperature are found to be the most influential parameters on liquid penetration length. The rise of ambient pressure results in considerably shorter liquid pen- etration length. Ambient temperature also appears to be a very effective
Maksimenko, V.A.; Lüttjohann, A.; Makarov, V.V.; Goremyko, M.V.; Koronovskii, A.A.; Nedaivozov, V.; Runnova, A.E.; Luijtelaar, E.L.J.M. van; Hramov, A.E.; Boccaletti, S.
2017-01-01
We introduce a practical and computationally not demanding technique for inferring interactions at various microscopic levels between the units of a network from the measurements and the processing of macroscopic signals. Starting from a network model of Kuramoto phase oscillators which evolve
VANDENBERG, IP
1991-01-01
We present a mathematical model for the ''river-phenomenon'': striking concentrations of trajectories of ordinary differential equations. This model of ''macroscopic rivers'' is formulated within nonstandard analysis, and stated in terms of macroscopes and singular perturbations. For a subclass, the
Influence of macroscopic graphite particulates on the damping properties of Zn-Al eutectoid alloy
Institute of Scientific and Technical Information of China (English)
无
2009-01-01
The paper presents in detail the effects of macroscopic graphite (Gr) particulates on the damping behavior of Zn-Al eutectoid alloy (Zn-Al). Macroscopic defects are graphite particulates with sizes of the order of a millimeter (0.5 mm and 1.0 mm). Macroscopic graphite particulate-reinforced Zn-Al eutectoid alloys were prepared by the air pressure infiltration process. The damping characterization was conducted on a multifunction internal friction apparatus (MFIFA). The internal friction (IF), as well as the relative dynamic modulus, was measured at different frequencies over the temperature range of 20 to 400℃. The damping capacity of the Zn-Al/Gr, with two different volume fractions of macroscopic graphite particulates, was compared with that of bulk Zn-Al eutectoid alloy. The damping capacity of the materials is shown to increase with increasing volume fraction of macroscopic graphite particulates. Two IF peaks were found in the IF-temperature curves. The first is a grain boundary peak, which is associated with the diffusive flux on a boundary between like phases, Al/Al. Its activation energy has been calculated to be 1.13±0.03 eV and the pre-exponential factor is 10?14 s in IF measurements. The second is a phase transition peak, which results from the transformation of Zn-Al eutectoid. In light of internal friction measurements and differential scanning calorimetry (DSC) experiments, its activation energy has been calculated to be 2.36±0.08 eV.
Influence of macroscopic graphite particulates on the damping properties of Zn-Al eutectoid alloy
Institute of Scientific and Technical Information of China (English)
WEI JianNing; SONG ShiHua; HU KongGang; XIE WeiJun; MA MingLiang; LI GenMei
2009-01-01
The paper presents in detail the effects of macroscopic graphite (Gr) particulates on the damping be-havior of Zn-AI eutectoid alloy (Zn-AI). Macroscopic defects are graphite particulates with sizes of the order of a millimeter (0.5 mm and 1.0 mm). Macroscopic graphite particulate-reinforced Zn-AI eutectoid alloys were prepared by the air pressure infiltration process. The damping characterization was con-ducted on a multifunction internal friction apparatus (MFIFA). The internal friction (IF), as well as the relative dynamic modulus, was measured at different frequencies over the temperature range of 20 to 400"C. The damping capacity of the Zn-AI/Gr, with two different volume fractions of macroscopic graphite particulates, was compared with that of bulk Zn-Al eutectoid alloy. The damping capacity of the materials is shown to increase with increasing volume fraction of macroscopic graphite particulates. Two IF peaks were found in the IF-temperature curves. The first is a grain boundary peak, which is as-sociated with the diffusive flux on a boundary between like phases, Al/Al. Its activation energy has been calculated to be 1.13±0.03 eV and the pre-exponential factor is 10-14 s in IF measurements. The second is a phase transition peak, which results from the transformation of Zn-AI eutectoid. In light of internal friction measurements and differential scanning calorimetry (DSC) experiments, its activation energy has been calculated to be 2.36±0.08 eV.
Macroscopic Transport of Mega-ampere Electron Currents in Aligned Carbon-Nanotube Arrays
Chatterjee, Gourab; Singh, Prashant Kumar; Ahmed, Saima; Robinson, A. P. L.; Lad, Amit D.; Mondal, Sudipta; Narayanan, V.; Srivastava, Iti; Koratkar, Nikhil; Pasley, John; Sood, A. K.; Kumar, G. Ravindra
2012-06-01
We demonstrate that aligned carbon-nanotube arrays are efficient transporters of laser-generated mega-ampere electron currents over distances as large as a millimeter. A direct polarimetric measurement of the temporal and the spatial evolution of the megagauss magnetic fields (as high as 120 MG) at the target rear at an intensity of (1018-1019)W/cm2 was corroborated by the rear-side hot electron spectra. Simulations show that such high magnetic flux densities can only be generated by a very well collimated fast electron bunch.
Swartz, M A; Berk, D A; Jain, R K
1996-01-01
We present a novel integrative method for characterizing transport in the lymphatic capillaries in the tail of the anesthetized mouse, which is both sensitive and reproducible for quantifying uptake and flow. Interstitially injected, fluorescently labeled macromolecules were used to visualize and quantify these processes. Residence time distribution (RTD) theory was employed to measure net flow velocity in the lymphatic network as well as to provide a relative measure of lymphatic uptake of macromolecules from the interstitium. The effects of particle size and injection pressure were determined. The uptake rate was found to be independent of particle size in the range of a 6- to 18-nm radius; beyond this size, the interstitial matrix seemed to pose a greater barrier. A comparison of 10 vs. 40 cmH2O injection pressure showed a significant influence on the relative uptake rate but not on the net velocity within the network (3.3 +/- 0.8 vs. 3.8 +/- 1.0 micron/s). This suggested the presence of a systemic driving force for baseline lymph propulsion that is independent of the local pressure gradients driving the uptake. This model can be used to examine various aspects of transport physiology of the initial lymphatics.
Sharma, Indu; Pattanayek, Sudip K
2017-07-01
The surface energy, a macroscopic property, depends on the chemical functionality and micro- and macroscopic roughness of the surface. The adsorption of two widely used proteins bovine serum albumin (BSA) and lysozyme on surfaces of four different chemical functionalities were done to find out the interrelation between macroscopic and microscopic properties. We have observed the secondary structure of protein after its adsorption. In addition, we observed the variation of surface energy of proteins due to variation in adsorption time, change in protein concentration and effect of a mixture of proteins. Surfaces of three different chemical functionalities namely, amine, hydroxyl and octyl were obtained through self-assembled monolayer on silica surfaces and were tested for responses towards adsorption of lysozyme and BSA. The adsorbed lysozyme has higher surface energy than the adsorbed BSA on amine and octyl surfaces. On hydroxyl functional surface, the surface energy due to the adsorbed lysozyme or BSA increases slowly with time. The surface energy of the adsorbed protein increases gradually with increasing protein concentration on hydrophobic surfaces. On hydrophilic surfaces, with increasing BSA concentration in bulk solution, the surface energy of the adsorbed protein on GPTMS and amine surfaces is maximum at 1μM concentration. During the adsorption from a mixture of BSA and lysozyme on octyl surface, first lysozyme adsorbs and subsequent BSA adsorption leads to a high surface energy. Copyright © 2016. Published by Elsevier B.V.
Directory of Open Access Journals (Sweden)
Antipov A.
2015-01-01
Full Text Available The nanostructures with different morphology have been obtained by us by methods of both direct laser modification (from cw to fs laser radiation of the target surface/thin films and laser evaporation of the target substance in liquid to produce the colloid systems, and then – to deposite substance on substrate from colloid, and also – by a single drop deposition technique. The analysis of induced nanostructures has been carried out by absorption spectroscopy, scanning electron microscopy and transmission electron microscopy. The island conductivity is dominant for the nanocluster semiconductor systems induced by laser ablation technique, and electroresistance can dramatically decrease due to spontaneous selected multichannel/parallel electron transportation trajectories. A tunneling quantum coherent effect takes place for electron conductivity for the case.
Goldobin, Denis S
2011-01-01
Porous sediments in geological systems experience stress by the above-laying mass and consequent compaction, which may be significantly nonuniform across the massif. We derive scaling laws for the compaction of sediments of similar geological origin. With these laws, we evaluate the dependence of the transport properties of a fluid-saturated porous medium (permeability, effective molecular diffusivity, hydrodynamic dispersion, and thermal conductivity) on its porosity. In particular, we demonstrate irrelevance of the assumption of a uniform geothermal gradient for systems with nonuniform compaction and importance of the derived scaling laws for mathematical modelling of methane hydrate deposits, which are believed to have potential for impact on global climate change and Glacial-Interglacial cycles.
Zhu, Yinyan; Du, Kai; Yin, Lifeng; Shen, Jian; Low-dimensional material physics Team
Using unit cell by unit cell superlattice growth technique, we determine the role of chemical ordering of the Pr dopant in a colossal magnetoresistance (La1-yPry)1-x CaxMnO3 (LPCMO) system, which has been well known for its large length scale electronic phase separation (EPS) phenomena. Our experimental results show that the chemical ordering of Pr leads to dramatic reduction of the length scale of EPS. Moreover, compared to the conventional Pr-disordered LPCMO system, the Pr-ordered LPCMO system has ~100 K higher metal-insulator transition temperature. We have further investigated the n-dependence of the physical properties of the (LCMO)2n/(PCMO)n superlattices. Magnetic and transport measurements indicate that the physical properties change nonmonotonically with increasing n, reaching a minimum for both the Curie temperature and the meta-insulator transition temperature. The crossover thickness thus reflects the characteristic correlation length scale along the vertical direction of the superlattice. For superlattices with n smaller than the correlation length, we combine MFM studies and model calculations to explain the weakened ferromagnetism and metallicity with increasing n.
Transport Properties for Combustion Modeling
Energy Technology Data Exchange (ETDEWEB)
Brown, N.J.; Bastein, L.; Price, P.N.
2010-02-19
This review examines current approximations and approaches that underlie the evaluation of transport properties for combustion modeling applications. Discussed in the review are: the intermolecular potential and its descriptive molecular parameters; various approaches to evaluating collision integrals; supporting data required for the evaluation of transport properties; commonly used computer programs for predicting transport properties; the quality of experimental measurements and their importance for validating or rejecting approximations to property estimation; the interpretation of corresponding states; combination rules that yield pair molecular potential parameters for unlike species from like species parameters; and mixture approximations. The insensitivity of transport properties to intermolecular forces is noted, especially the non-uniqueness of the supporting potential parameters. Viscosity experiments of pure substances and binary mixtures measured post 1970 are used to evaluate a number of approximations; the intermediate temperature range 1 < T* < 10, where T* is kT/{var_epsilon}, is emphasized since this is where rich data sets are available. When suitable potential parameters are used, errors in transport property predictions for pure substances and binary mixtures are less than 5 %, when they are calculated using the approaches of Kee et al.; Mason, Kestin, and Uribe; Paul and Warnatz; or Ern and Giovangigli. Recommendations stemming from the review include (1) revisiting the supporting data required by the various computational approaches, and updating the data sets with accurate potential parameters, dipole moments, and polarizabilities; (2) characterizing the range of parameter space over which the fit to experimental data is good, rather than the current practice of reporting only the parameter set that best fits the data; (3) looking for improved combining rules, since existing rules were found to under-predict the viscosity in most cases; (4
Rieger, R; Auregan, J C; Hoc, T
2017-09-08
The objective of the present study is to assess the mechanical behavior of trabecular bone based on microCT imaging and micro-finite-element analysis. In this way two methods are detailed: (i) direct determination of macroscopic elastic property of trabecular bone; (ii) inverse approach to assess mechanical properties of trabecular bone tissue. Thirty-five females and seven males (forty-two subjects) mean aged (±SD) 80±11.7 years from hospitals of Assistance publique-Hôpitaux de Paris (AP-HP) diagnosed with osteoporosis following a femoral neck fracture due to a fall from standing were included in this study. Fractured heads were collected during hip replacement surgery. Standardized bone cores were removed from the femoral head's equator by a trephine in a water bath. MicroCT images acquisition and analysis were performed with CTan(®) software and bone volume fraction was then determined. Micro-finite-element simulations were per-formed using Abaqus 6.9-2(®) software in order to determine the macroscopic mechanical behaviour of the trabecular bone. After microCT acquisition, a longitudinal compression test was performed and the experimental macroscopic Young's Modulus was extracted. An inverse approach based on the whole trabecular bone's mechanical response and micro-finite-element analysis was performed to determine microscopic mechanical properties of trabecular bone. In the present study, elasticity of the tissue was shown to be similar to that of healthy tissue but with a lower yield stress. Classical histomorphometric analysis form microCT imaging associated with an inverse micro-finite-element method allowed to assess microscopic mechanical trabecular bone parameters. Copyright © 2017 Elsevier Masson SAS. All rights reserved.
Maksimenko, Vladimir A.; Lüttjohann, Annika; Makarov, Vladimir V.; Goremyko, Mikhail V.; Koronovskii, Alexey A.; Nedaivozov, Vladimir; Runnova, Anastasia E.; van Luijtelaar, Gilles; Hramov, Alexander E.; Boccaletti, Stefano
2017-07-01
We introduce a practical and computationally not demanding technique for inferring interactions at various microscopic levels between the units of a network from the measurements and the processing of macroscopic signals. Starting from a network model of Kuramoto phase oscillators, which evolve adaptively according to homophilic and homeostatic adaptive principles, we give evidence that the increase of synchronization within groups of nodes (and the corresponding formation of synchronous clusters) causes also the defragmentation of the wavelet energy spectrum of the macroscopic signal. Our methodology is then applied to getting a glance into the microscopic interactions occurring in a neurophysiological system, namely, in the thalamocortical neural network of an epileptic brain of a rat, where the group electrical activity is registered by means of multichannel EEG. We demonstrate that it is possible to infer the degree of interaction between the interconnected regions of the brain during different types of brain activities and to estimate the regions' participation in the generation of the different levels of consciousness.
Transport properties of ceramic composites
Energy Technology Data Exchange (ETDEWEB)
Starr, T.L.; Hablutzel, N. [Georgia Institute of Technology, Atlanta, GA (United States)
1996-08-01
Instrumentation and procedures have been completed for measurement of gas permeability and mass diffusivity of fiber preforms and porous materials. Results are reported for composites reinforced with Nicalon fiber in cloth lay-up and 3-D weave and with Nextel fiber in multi-layer braid. Measured permeability values range from near 100 to less than 0.1 darcies. Mass diffusivity is reported as a structure factor relating the diffusion through the porous material to that in free space. This measure is independent of the diffusing species and depends only on the pore structure of the material. Measurements are compared to predictions of a node-bond model for gas transport. Model parameters adjusted to match measured transport properties relate to physical microstructure features of the different architectures. Combination of this transport model with the CVI process model offers a predictive method to evaluate the densification behavior of various fiber preforms.
Transport properties of organic liquids
Latini, G; Passerini, G
2006-01-01
The liquid state is possibly the most difficult and intriguing state of matter to model. Organic liquids are required, mainly as working fluids, in almost all industrial activities and in most appliances (e.g. in air conditioning). Transport properties (namely dynamic viscosity and thermal conductivity) are possibly the most important properties for the design of devices and appliances. The aim of this book is to present both theoretical approaches and the latest experimental advances on the issue, and to merge them into a wider approach. It concentrates on applicability of models.This book is
Directory of Open Access Journals (Sweden)
Schmidt K.-H.
2010-10-01
Full Text Available A new model description of fission-fragment yields and prompt neutron emission is developed. The yields of the different fission channels and their properties are attributed to the number of relevant states above the potential-energy landscape on the fission path at the moment of dynamical freeze-out, which is specific to the collective coordinate considered. The model combines well established ideas with novel concepts. The separability principle of macroscopic properties of the compound nucleus and microscopic properties of the fragments strongly reduces the number of model parameters and assures a high predictive power. The recently discovered energy-sorting mechanism in superfluid nuclear dynamics determines the sharing of intrinsic excitation energy at scission and the enhancement of even-odd structure in asymmetric splits.
Transport Properties of Binary Clusters
Institute of Scientific and Technical Information of China (English)
WAN Hai-Qing; ZHOU Yan-Hong; XU Ying
2007-01-01
We present first-principles studies on the transport properties of small silicon and aluminium clusters:Al2,Si2,Al4 and AISi sandwiched between two Al(100) electrodes.The variation of the equilibrium conductance as a function of contact distance for these two-probe systems is probed.Our results show that the transport properties are dependent on both the specific nanostructure and the separation distance between the central molecule and the electrodes.For equilibrium transport properties.the clusters with the similar structure show similar transmission spectra at large distances.the small difference can be explained by the electron filling.For current-voltage characteristics,all the clusters show the metallic behaviour at lower bias,however very different non-linear behaviour can be observed at higher bias.For AISi and Al2,when the distance between the central cluster and the electrodes is 3.5A.large negative differential resistance (NDR) can be found in the bias range 0.8V～1.4V.
Chen, Chao; Ni, Peiyuan; Jonsson, Lage Tord Ingemar; Tilliander, Anders; Cheng, Guoguang; Jönsson, Pär Göran
2016-06-01
This paper presents computational fluid dynamics (CFD) simulation results of inclusions macroscopic transport as well as dynamic removal in tundishes. A novel treatment was implemented using the deposition velocity calculated by a revised unified Eulerian deposition model to replace the widely used Stokes rising velocity in the boundary conditions for inclusions removal at the steel-slag interface in tundishes. In this study, the dynamic removal for different size groups of inclusions at different steel-slag interfaces (smooth or rough) with different absorption conditions at the interface (partially or fully absorbed) in two tundish designs was studied. The results showed that the dynamic removal ratios were higher for larger inclusions than for smaller inclusions. Besides, the dynamic removal ratio was higher for rough interfaces than for smooth interfaces. On the other hand, regarding the cases when inclusions are partially or fully absorbed at a smooth steel-slag interface, the removal ratio values are proportional to the absorption proportion of inclusions at the steel-slag interface. Furthermore, the removal of inclusions in two tundish designs, i.e., with and without a weir and a dam were compared. Specifically, the tundish with a weir and a dam exhibited a better performance with respect to the removal of bigger inclusions (radii of 5, 7, and 9 μm) than that of the case without weir and dam. That was found to be due to the strong paralleling flow near the middle part of the top surface. However, the tundish without weir and dam showed a higher removal ratio of smaller inclusions (radius of 1 μm). The reason could be the presence of a paralleling flow near the inlet zone, where the inclusions deposition velocities were much higher than in other parts.
Ji, Tuo; Ma, Chi; Brisbin, Logan; Mu, Liwen; Robertson, Christopher G.; Dong, Yalin; Zhu, Jiahua
2017-03-01
In polymer composites, organosilanes are often used to modify the surface property of silica nanoparticles and improve the interfacial properties. Surface properties of the modified silica, such as grafting density and consequent surface energy, largely depend on the molecular structure of the silane. Achieving maximum interfacial bonding between the filler and polymer requires precise control of silica surface property. In this work, four silanes with similar molecular structure but different alkyl chain lengths, trimethoxy(propyl)silane, trimethoxy(octyl)silane, hexadecyltrimethoxysilane and trimethoxy(octadecyl)silane, are selected as model agents to study their roles in influencing silica surface property. The grafting density of silane on the silica is well controlled by regulating the reaction conditions. Three main surface characters, silane grafting density, surface energy and surface potential, are measured. More importantly, a linear relationship has been correlated when plotting grafting density vs. surface energy and grafting density vs. surface potential. Utilizing these relationships, a linear model has been developed to predict grafting density and surface energy by simply measuring surface potential. This model has been validated by both commercial silica and synthesized silica particles of different sizes.
Lucas, Andrew
2014-01-01
An elementary understanding of the relevant length, mass and energy scales at the molecular level can be used to explain the order of magnitude of material properties such as mass density, latent heat, surface tension, elastic moduli and beyond in an introductory physics course. These order of magnitude estimates are remarkably easy to derive, and in many instances are the same for many different liquids and solids. This helps students to understand the origin of the zoo of material properties, and to connect molecular physics to the physics of familiar materials like water, metals and plastics. We also note some simple mechanisms by which material properties can easily vary over many orders of magnitude.
Transport properties of ceramic composites
Energy Technology Data Exchange (ETDEWEB)
Starr, T.L. [Georgia Inst. of Technology, Atlanta, GA (United States)
1995-08-01
This project involves experimental and modeling investigation of the transport properties of chemical vapor infiltration (CVI) preforms and densified composites, with particular emphasis on gas permeability and mass diffusivity. The results of this work will be useful both for on-going CVI process development and for evaluation and optimization of composite materials for fossil energy applications. With preforms made with 500 filaments/tow Nicalon at 40 vol% fiber loading, permeability values are similar for square-weave cloth layup and 3-D weave at low density. At greater densification the 3-D weave permeability is lower and approaches zero with significantly more closed porosity than the cloth layup. For filament wound preforms we were unable to make reliable measurements with the available materials. A model for gas transport in these materials utilizes percolation theory concepts. The ultimate achievable density is related to the closing of a continuous gas path through the preform. As the density approaches this limit the gas permeability and diffusivity vanish exponentially. The value of this limit is controlled primarily by the preform fiber architecture. The observed difference between the cloth layup and 3-D weave materials is due to the larger pores at tow crossing points found in the 3-D weave.
Mourragui, Mustapha
2011-01-01
We consider a boundary driven exclusion process associated to particles evolving under Kawasaki (conservative) dynamics and long range interaction in a regime in which at equilibrium phase separation might occur. We show that the empirical density under the diffusive scaling solves a non linear integro differential evolution equation with Dirichlet boundary conditions and we prove the associated dynamical large deviations principle. Further, tuning suitable the intensity of the interaction, in the uniqueness phase regime, we show that under the stationary measure the empirical density solves a non local, stationary, transport equation.
An atomistic modelling of the porosity impact on UO{sub 2} matrix macroscopic properties
Energy Technology Data Exchange (ETDEWEB)
Jelea, A., E-mail: andrei.jelea@irsn.fr [Institut de Radioprotection et de Surete Nucleaire (IRSN), DPAM, SEMCA, LEC, Cadarache (France); Centre Interdisciplinaire des Nanosciences de Marseille, CNRS, Campus de Luminy, Marseille 13288 (France); Institute of Physical Chemistry Ilie Murgulescu, Romanian Academy, 202 Spl Independentei St., 060021 Bucharest-12 (Romania); Colbert, M. [Institut de Radioprotection et de Surete Nucleaire (IRSN), DPAM, SEMCA, LEC, Cadarache (France); Centre Interdisciplinaire des Nanosciences de Marseille, CNRS, Campus de Luminy, Marseille 13288 (France); Ribeiro, F. [Institut de Radioprotection et de Surete Nucleaire (IRSN), DPAM, SEMCA, LEC, Cadarache (France); Treglia, G. [Centre Interdisciplinaire des Nanosciences de Marseille, CNRS, Campus de Luminy, Marseille 13288 (France); Pellenq, R.J.-M. [Centre Interdisciplinaire des Nanosciences de Marseille, CNRS, Campus de Luminy, Marseille 13288 (France); Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States)
2011-08-15
Highlights: > The porosity impact on the UO{sub 2} matrix thermomechanical properties was investigated. > Atomistic simulation techniques were used in this study. > The UO{sub 2} thermal expansion coefficient is modified due to the pore surface effects. > The elastic moduli at 0 K and at finite temperature decrease linearly with porosity. - Abstract: The porosity impact on the UO{sub 2} matrix thermomechanical properties was investigated using atomistic simulation techniques. The porosity modifies the thermal expansion coefficient and this is attributed to pore surface effects. The elastic moduli at 0 K and at finite temperature decrease with porosity, this variation being well approximated using affine functions. These results agree with other mesoscale model predictions and experimental data, showing the ability of the semiempirical potential atomistic simulations to give an overall good description of the porous UO{sub 2}. However, the surface effects are incompletely described.
Directory of Open Access Journals (Sweden)
Ziang Jing
2016-08-01
Full Text Available The doping effect of graphene nanoplatelets (GNPs on electrical insulation properties of polyethylene (PE was studied by combining experimental and theoretical methods. The electric conduction properties and trap characteristics were tested for pure PE and PE/GNPs composites by using a direct measurement method and a thermal stimulated current (TSC method. It was found that doping smaller GNPs is more beneficial to decrease the conductivity of PE/GNPs. The PE/GNPs composite with smaller size GNPs mainly introduces deep energy traps, while with increasing GNPs size, besides deep energy traps, shallow energy traps are also introduced. These results were also confirmed by density functional theory (DFT and the non-equilibrium Green’s function (NEGF method calculations. Therefore, doping small size GNPs is favorable for trapping charge carriers and enhancing insulation ability, which is suggested as an effective strategy in exploring powerful insulation materials.
Predicting the transport properties of sedimentary rocks from microgeometry
Energy Technology Data Exchange (ETDEWEB)
Schlueter, E.M.
1995-02-01
The author investigates through analysis and experiment how pore geometry, topology, and the physics and chemistry of mineral-fluid and fluid-fluid interactions affect the flow of fluids through consolidated/partially consolidated porous media. The approach is to measure fluid permeability and electrical conductivity of rock samples using single and multiple fluid phases that can be frozen in place (wetting and nonwetting) over a range of pore pressures. These experiments are analyzed in terms of the microphysics and microchemistry of the processes involved to provide a theoretical basis for the macroscopic constitutive relationships between fluid-flow and geophysical properties that the authors develop. The purpose of these experiments and their analyses is to advance the understanding of the mechanisms and factors that control fluid transport in porous media. This understanding is important in characterizing porous media properties and heterogeneities before simulating and monitoring the progress of complex flow processes at the field scale in permeable media.
Impact of thickness on microscopic and macroscopic properties of Fe-Te-Se superconductor thin films
Directory of Open Access Journals (Sweden)
N. Zhang
2015-04-01
Full Text Available A series of iron based Fe-Te-Se superconductor thin films depositing on 0.7wt% Nb-doped SrTiO3 at substrate temperatures in the 250°C -450°C range by pulsed laser ablation of a constituents well defined precursor FeTe0.55Se0.55 target sample. We study the possible growth mechanism and its influence on the superconductor properties. Experimental results indicate the superconductive and non-superconductive properties are modulated only by the thickness of the thin films through the temperature range. The films appear as superconductor whenever the thickness is above a critical value ∼30nm and comes to be non-superconductor below this value. Relative ratios of Fe to (Te+Se in the films retained Fe/(Te+Se1 for non-superconductor no matter what the film growth temperature was. The effect of film growth temperature takes only the role of modulating the ratio of Te/Se and improving crystallinity of the systems. According to the experimental results we propose a sandglass film growth mechanism in which the interfacial effect evokes to form a Fe rich area at the interface and Se or Te starts off a consecutive filling up process of chalcogenide elements defect sides, the process is significant before the film thickness reaches at ∼30nm.
The Transport Properties of Activated Carbon Fibers
di Vittorio, S. L.; Dresselhaus, M. S.; Endo, M.; Issi, J-P.; Piraux, L.
1990-07-01
The transport properties of activated isotropic pitch-based carbon fibers with surface area 1000 m{sup 2}/g have been investigated. We report preliminary results on the electrical conductivity, the magnetoresistance, the thermal conductivity and the thermopower of these fibers as a function of temperature. Comparisons are made to transport properties of other disordered carbons.
Hashemizad, Seyed Reza; Tsitrin, Sam; Yadak, Polin; He, Yingquan; Cuneo, Daniel; Williamson, Eric Paul; Liner, Devin; Man, Weining
2014-09-26
Recently, disordered photonic materials have been suggested as an alternative to periodic crystals for the formation of a complete photonic bandgap (PBG). In this article we will describe the methods for constructing and characterizing macroscopic disordered photonic structures using microwaves. The microwave regime offers the most convenient experimental sample size to build and test PBG media. Easily manipulated dielectric lattice components extend flexibility in building various 2D structures on top of pre-printed plastic templates. Once built, the structures could be quickly modified with point and line defects to make freeform waveguides and filters. Testing is done using a widely available Vector Network Analyzer and pairs of microwave horn antennas. Due to the scale invariance property of electromagnetic fields, the results we obtained in the microwave region can be directly applied to infrared and optical regions. Our approach is simple but delivers exciting new insight into the nature of light and disordered matter interaction. Our representative results include the first experimental demonstration of the existence of a complete and isotropic PBG in a two-dimensional (2D) hyperuniform disordered dielectric structure. Additionally we demonstrate experimentally the ability of this novel photonic structure to guide electromagnetic waves (EM) through freeform waveguides of arbitrary shape.
Energy Technology Data Exchange (ETDEWEB)
Santos, A.; Simoes, R.; Tavares, M.
2013-07-01
Aim of the study: The aim of the study is to assess the variation of pith eccentricity, heartwood proportion, late wood percentage and basic wood density along the stem of 45-year-old A. melanoxylon trees collected in four sites of Portugal, and investigate the eventual relationship between these variables. Area of study: Sites covering littoral north, mid interior north and centre interior of Portugal. Materials and methods: Four sites and five trees per site were selected in the Acacia melanoxylon Portuguese forest. One wood sample at each of six height levels per tree was collected in order to evaluate its basic density, pith eccentricity, heartwood and late wood proportions. Main results: The high variability of the wood macroscopic properties among trees from the same site regarding to the variation of the corresponding average properties along the stem is a key characteristic of the experimental data. As a consequence, a multiple linear regression model tested was not able to properly explain the wood basic density variation of the 120 wood samples analysed. In spite of this, the following trends could be recognized: (i) excluding the base level, wood basic density moderately increased with tree level; (ii) late wood proportion followed similar behaviour; (iii) pith eccentricity was low; (iv) heartwood proportion decreased markedly with tree height, from 70% at the base to 7% at the top. Research highlights: The high basic density, the relatively low variability along the stem and the low pith eccentricity enable us to anticipate good performance as raw material for the wood industry. (Author)
Structure and transport properties of atomic chains and molecules
DEFF Research Database (Denmark)
Strange, Mikkel
2008-01-01
conductance properties are explained in terms of a resonating-chain model, which takes the reflection probability and phase-shift of a single bulk-chain interface as the only input. The stability of silver-oxygen chains was studied with a thermodynamic model. This model has been developed in this work...... to describe tip-suspended atomically thin chains between macroscopic size electrodes. It has been tested with the use of DFT calculations on metal chains for which good agreement with experiments was obtained. To ensure the correctness of the DFT based transport calculations presented here, and in more...... tilted bridge configuration is found, with a conductance of 0.5G0 over a wide range of electrode displacements. This is in agreement with the observed peak at 0.5G0 in the experimentally obtained conductance histogram for Pt/CO [4]. Also, for homogenous Pt point contacts and short chains good agreement...
Lowry, G.V.; Shaw, S.; Kim, C.S.; Rytuba, J.J.; Brown, Gordon E.
2004-01-01
Mercury (Hg) release from inoperative Hg mines in the California Coast Range has been documented, but little is known about the release and transport mechanisms. In this study, tailings from Hg mines located in different geologic settings-New Idria (NI), a Si-carbonate Hg deposit, and Sulphur Bank (SB), a hot-spring Hg deposit-were characterized, and particle release from these wastes was studied in column experiments to (1) investigate the mechanisms of Hg release from NI and SB mine wastes, (2) determine the speciation of particle-bound Hg released from the mine wastes, and (3) determine the effect of calcinations on Hg release processes. The physical and chemical properties of tailings and the colloids released from them were determined using chemical analyses, selective chemical extractions, XRD, SEM, TEM, and X-ray absorption spectroscopy techniques. The total Hg concentration in tailings increased with decreasing particle size in NI and SB calcines (roasted ore), but reached a maximum at an intermediate particle size in the SB waste rock (unroasted ore). Hg in the tailings exists predominantly as low-solubility HgS (cinnabar and metacinnabar), with NI calcines having >50% HgS, SB calcines having >89% HgS, and SB waste rock having ???100% HgS. Leaching experiments with a high-ionic-strength solution (0.1 M NaCl) resulted in a rapid but brief release of soluble and particulate Hg. Lowering the ionic strength of the leach solution (0.005 M NaCl) resulted in the release of colloidal Hg from two of the three mine wastes studied (NI calcines and SB waste rock). Colloid-associated Hg accounts for as much as 95% of the Hg released during episodic particle release. Colloids generated from the NI calcines are produced by a breakup and release mechanism and consist of hematite, jarosite/alunite, and Al-Si gel with particle sizes of 10-200 nm. ATEM and XAFS analyses indicate that the majority (???78%) of the mercury is present in the form of HgS. SB calcines also
Terahertz Science and Technology of Macroscopically Aligned Carbon Nanotube Films
Kono, Junichiro
One of the outstanding challenges in nanotechnology is how to assemble individual nano-objects into macroscopic architectures while preserving their extraordinary properties. For example, the one-dimensional character of electrons in individual carbon nanotubes leads to extremely anisotropic transport, optical, and magnetic phenomena, but their macroscopic manifestations have been limited. Here, we describe methods for preparing macroscopic films, sheets, and fibers of highly aligned carbon nanotubes and their applications to basic and applied terahertz studies. Sufficiently thick films act as ideal terahertz polarizers, and appropriately doped films operate as polarization-sensitive, flexible, powerless, and ultra-broadband detectors. Together with recently developed chirality enrichment methods, these developments will ultimately allow us to study dynamic conductivities of interacting one-dimensional electrons in macroscopic single crystals of single-chirality single-wall carbon nanotubes.
Transport properties of alumina nanofluids
Energy Technology Data Exchange (ETDEWEB)
Wong, Kau-Fui Vincent; Kurma, Tarun [Department of Mechanical and Aerospace Engineering, University of Miami, Coral Gables, FL 33124 (United States)], E-mail: kwong@miami.edu
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 deg. 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{sup -1} K{sup -1} was recorded for an 8.47% volume concentration of alumina nanoparticles at 46.6 deg. 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
Transport properties of alumina nanofluids.
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
DEFF Research Database (Denmark)
Yeghiazarian, L.L.; Walker, M.J.; Binning, Philip John
2006-01-01
is important for accurate risk assessment and prediction of water contamination events. This paper presents a stochastic Markov model of microorganism transport, with distinct states of microorganism behavior capturing the microbial partitioning between solid and aqueous phases in runoff and soil surface......, including the partitioning among soil particles of various sizes. A connection between the soil sediment and microbial transport is established through the incorporation of an erosion model (WEPP) into the microorganism transport model. Probability distribution functions of microorganism occurrence in time...... results show that areas with clay soils are more likely than sandy soils to contribute to contamination events and that the most influential transport parameters are the saturated hydraulic conductivity, rainfall intensity, and topographic slope....
Kumar, Milan; Edwards, Brian J.; Paddison, Stephen J.
2013-02-01
The membrane-ionomer interface is the critical interlink of the electrodes and catalyst to the polymer electrolyte membrane (PEM); together forming the membrane electrode assembly in current state-of-the-art PEM fuel cells. In this paper, proton conduction through the interface is investigated to understand its effect on the performance of a PEM fuel cell. The water containing domains at this interface were modeled as cylindrical pores/channels with the anionic groups (i.e., -SO3-) assumed to be fixed on the pore wall. The interactions of each species with all other species and an applied external field were examined. Molecular-based interaction potential energies were computed in a small test element of the pore and were scaled up in terms of macroscopic variables. Evolution equations of the density and momentum of the species (water molecules and hydronium ions) were derived within a framework of nonequilibrium thermodynamics. The resulting evolution equations for the species were solved analytically using an order-of-magnitude analysis to obtain an expression for the proton conductivity. Results show that the conductivity increases with increasing water content and pore radius, and strongly depends on the separation distance between the sulfonate groups and their distribution on the pore wall. It was also determined that the conductivity of two similar pores of different radii in series is limited by the pore with the smaller radius.
Parmentier, G.
To understand how systems of star clusters have reached their presently observed properties constitutes a powerful probe into the physics of cluster formation, without needing to resort to high spatial resolution observations of individual cluster-forming regions (CFRg) in distant galaxies. In this contribution I focus on the mass-radius relation of CFRgs, how it can be uncovered by studying the gas expulsion phase of forming star clusters, and what the implications are. I demonstrate that, through the tidal field impact upon exposed star clusters, the CFRg mass-radius relation rules cluster infant weight-loss in dependence of cluster mass. The observational constraint of a time-invariant slope for the power-law young cluster mass function is robustly satisfied by CFRgs with a constant mean volume density. In contrast, a constant mean surface density would be conducive to the preferential destruction of high-mass clusters. A purely dynamical line-of-reasoning leads therefore to a conclusion consistent with star formation a process driven by a volume density threshold. Developing this concept further, properties of molecular clumps and CFRgs naturally get dissociated. This allows to understand: (i) why the star cluster mass function is steeper than the molecular cloud/clump mass function; (ii) the presence of a massive star formation limit in the mass-size space of molecular structures.
Nanofluidics thermodynamic and transport properties
Michaelides, Efstathios E (Stathis)
2014-01-01
This volume offers a comprehensive examination of the subject of heat and mass transfer with nanofluids as well as a critical review of the past and recent research projects in this area. Emphasis is placed on the fundamentals of the transport processes using particle-fluid suspensions, such as nanofluids. The nanofluid research is examined and presented in a holistic way using a great deal of our experience with the subjects of continuum mechanics, statistical thermodynamics, and non-equilibrium thermodynamics of transport processes. Using a thorough database, the experimental, analytical, and numerical advances of recent research in nanofluids are critically examined and connected to past research with medium and fine particles as well as to functional engineering systems. Promising applications and technological issues of heat/mass transfer system design with nanofluids are also discussed. This book also: Provides a deep scientific analysis of nanofluids using classical thermodynamics and statistical therm...
De Ryck, L; Lauriks, W; Leclaire, P; Groby, J P; Wirgin, A; Depollier, C
2008-09-01
The present paper deals with the inverse scattering problem involving macroscopically inhomogeneous rigid frame porous media. It consists of the recovery, from acoustic measurements, of the profiles of spatially varying material parameters by means of an optimization approach. The resolution is based on the modeling of acoustic wave propagation in macroscopically inhomogeneous rigid frame porous materials, which was recently derived from the generalized Biot's theory. In practice, the inverse problem is solved by minimizing an objective function defined in the least-square sense by the comparison of the calculated reflection (and transmission) coefficient(s) with the measured or synthetic one(s), affected or not by additive Gaussian noise. From an initial guess, the profiles of the x-dependent material parameters are reconstructed iteratively with the help of a standard conjugate gradient method. The convergence rate of the latter and the accuracy of the reconstructions are improved by the availability of an analytical gradient.
Upscaling flow and transport properties in synthetic porous media
Jasinski, Lukasz; Dabrowski, Marcin
2015-04-01
Flow and transport through the porous media has instances in nature and industry: contaminant migration in geological formations, gas/oil extraction from proppant filled hydraulic fractures and surrounding porous matrix, underground carbon dioxide sequestration and many others. We would like to understand the behavior of propagating solute front in such medium, mainly flow preferential pathways and the solute dispersion due to the porous medium geometry. The motivation of our investigation is to find connection between the effective flow and transport properties and porous media geometry in 2D and 3D for large system sizes. The challenge is to discover a good way of upscaling flow and transport processes to obtain results comparable to these calculated on pore-scale in much faster way. We study synthetic porous media made of densely packed poly-disperse disk-or spherical-shaped grains in 2D and 3D, respectively. We use various protocols such as the random sequential addition (RSA) algorithm to generate densely packed grains. Imposed macroscopic pressure gradient invokes fluid flow through the pore space of generated porous medium samples. As the flow is considered in the low Reynolds number regime, a stationary velocity field is obtained by solving the Stokes equations by means of finite element method. Void space between the grains is accurately discretized by using body-fitting triangular or tetrahedral mesh. Finally, pure advection of a front carried by the velocity field is studied. Periodicity in all directions is applied to microstructure, flow and transport processes. Effective permeability of the media can be calculated by integrating the velocity field on cross sections, whereas effective dispersion coefficient is deduced by application of centered moment methods on the concentration field of transported solute in time. The effective parameters are investigated as a function of geometrical parameters of the media, such as porosity, specific surface area
Allaire, Gregoire; Dufreche, Jean-Francois; Mikelic, Andro; Piatnitski, Andrey
2013-01-01
This paper is devoted to the homogenization (or upscaling) of a system of partial differential equations describing the non-ideal transport of a N-component electrolyte in a dilute Newtonian solvent through a rigid porous medium. Realistic non-ideal effects are taken into account by an approach based on the mean spherical approximation (MSA) model which takes into account finite size ions and screening effects. We first consider equilibrium solutions in the absence of external forces. In such a case, the velocity and diffusive fluxes vanish and the equilibrium electrostatic potential is the solution of a variant of Poisson-Boltzmann equation coupled with algebraic equations. Contrary to the ideal case, this nonlinear equation has no monotone structure. However, based on invariant region estimates for Poisson-Boltzmann equation and for small characteristic value of the solute packing fraction, we prove existence of at least one solution. To our knowledge this existence result is new at this level of generality...
Energy Technology Data Exchange (ETDEWEB)
Fabbri, M.; Sacripanti, A. [ENEA, Centro Ricerche Casaccia, Rome (Italy). Dip. Innovazione
1996-11-01
Gross qualitative/quantitative analysis about thermodynamical properties and thermoelastic coupling (or elastocaloric effect) of complex macroscopic structure (running shoes) is performed by infrared camera. The experimental results showed the achievability of a n industrial research project.
Electronic transport properties in graphene oxide frameworks
Zhu, P.; Cruz-Silva, E.; Meunier, V.
2014-02-01
The electronic transport properties in multiterminal graphene oxide framework (GOF) materials are investigated using a combination of theoretical and computational methods. GOFs make up four-terminal [origin=c]90H-shaped GNR-L-GNR junctions where sandwiched boronic acid molecules (L) are covalently linked to two graphene nanoribbons (GNRs) of different edge chiralities. The transport properties are governed by both tunneling and quasiresonant regimes. We determine how the presence of linker molecules affects the transport properties and establish that the through-molecule transport properties can be tuned by varying the chemical composition of the pillar molecules but are not significantly modified when changing the type of electrodes from zigzag GNRs to armchair GNRs. In addition, we find that in multilinker systems containing two parallel molecules in the device area, the coupling between the molecules can lead to both constructive and destructive quantum interferences. We also examine the inability of the classical Kirchhoff's superposition law to account for electron flow in multilinker GOF nanonetworks.
Transport properties of fully screened Kondo models
Hörig, Christoph B M; Mora, Christophe; Schuricht, Dirk
2014-01-01
We study the nonequilibrium transport properties of fully (exactly) screened Kondo quantum dots subject to a finite bias voltage or a finite temperature. First, we calculate the Fermi-liquid coefficients of the conductance for models with arbitrary spin, i.e., its leading behavior for small bias vol
Transport properties of inertial confinement fusion plasmas
Energy Technology Data Exchange (ETDEWEB)
Issanova, M.K.; Kodanova, S.K.; Ramazanov, T.S. [IETP, Al-Farabi Kazakh National University, Almaty (Kazakhstan); Hoffmann, D.H.H. [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany)
2016-06-15
In this paper the transport properties of non-isothermal dense deuterium-tritium plasmas were studied. Based on the effective interaction potentials between particles, the Coulomb logarithm for a two-temperature nonisothermal dense plasma was obtained. These potentials take into consideration long-range multi-particle screening effects and short-range quantum-mechanical effects in two-temperature plasmas. Transport processes in such plasmas were studied using the Coulomb logarithm. The obtained results were compared with the theoretical works of other authors and with the results of molecular dynamics simulations. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Random lasing in structures with multi-scale transport properties
Leonetti, Marco
2013-01-01
In a random laser (RL), a system possessing in itself both resonator and amplifying medium while lacking of a macroscopic cavity, the feedback is provided by the scattering, which forces light to travel across very long random paths. Here we demonstrate that RL properties may be tuned by the topology of the scattering system retaining unchanged scattering strength and gain efficiency. This is possible in a system based on sparse clusters, possessing two relevant structural lengths: the macroscopic inter cluster separation and the mesoscopic intra-cluster mean free path.
Covariant Macroscopic Quantum Geometry
Hogan, Craig J
2012-01-01
A covariant noncommutative algebra of position operators is presented, and interpreted as the macroscopic limit of a geometry that describes a collective quantum behavior of the positions of massive bodies in a flat emergent space-time. The commutator defines a quantum-geometrical relationship between world lines that depends on their separation and relative velocity, but on no other property of the bodies, and leads to a transverse uncertainty of the geometrical wave function that increases with separation. The number of geometrical degrees of freedom in a space-time volume scales holographically, as the surface area in Planck units. Ongoing branching of the wave function causes fluctuations in transverse position, shared coherently among bodies with similar trajectories. The theory can be tested using appropriately configured Michelson interferometers.
Avramopoulos, A; Papadopoulos, M G; Reis, H
2007-03-15
A discrete model based on the multipolar expansion including terms up to hexadecapoles was employed to describe the electrostatic interactions in liquid acetonitrile. Liquid structures obtained form molecular dynamics simulations with different classical, nonpolarizable potentials were used to analyze the electrostatic interactions. The computed average local field was employed for the determination of the environmental effects on the linear and nonlinear electrical molecular properties. Dipole-dipole interactions yield the dominant contribution to the local field, whereas higher multipolar contributions are small but not negligible. Using the effective in-phase properties, macroscopic linear and nonlinear susceptibilities of the liquid were computed. Depending on the partial charges describing the Coulomb interactions of the force field employed, either the linear properties (refractive index and dielectric constant) were reproduced in good agreement with experiment or the nonlinear properties [third-harmonic generation (THG) and electric field induced second-harmonic (EFISH) generation] and the bulk density but never both sets of properties together. It is concluded that the partial charges of the force fields investigated are not suitable for reliable dielectric properties. New methods are probably necessary for the determination of partial charges, which should take into account the collective and long-range nature of electrostatic interactions more precisely.
Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium
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.
Electronic and transport properties of kinked graphene
DEFF Research Database (Denmark)
Rasmussen, Jesper Toft; Gunst, Tue; Bøggild, Peter
2013-01-01
Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction...... for the adsorption of atomic hydrogen at linear bends in graphene. We find a significant barrier lowering (≈15%) for realistic radii of curvature (≈20 Å) and that adsorption along the linear bend leads to a stable linear kink. We compute the electronic transport properties of individual and multiple kink lines......, and demonstrate how these act as efficient barriers for electron transport. In particular, two parallel kink lines form a graphene pseudo-nanoribbon structure with a semimetallic/semiconducting electronic structure closely related to the corresponding isolated ribbons; the ribbon band gap translates...
Electron transport properties of cobalt doped polyaniline
Energy Technology Data Exchange (ETDEWEB)
Ghosh, P [Department of Physics, National Institute of Technology, Durgapur, Deemed University, Mahatma Gandhi Avenue, PIN-713 209, West Bengal (India); Sarkar, A [Department of Physics, National Institute of Technology, Durgapur, Deemed University, Mahatma Gandhi Avenue, PIN-713 209, West Bengal (India); Meikap, A K [Department of Physics, National Institute of Technology, Durgapur, Deemed University, Mahatma Gandhi Avenue, PIN-713 209, West Bengal (India); Chattopadhyay, S K [Department of Physics, National Institute of Technology, Durgapur, Deemed University, Mahatma Gandhi Avenue, PIN-713 209, West Bengal (India); Chatterjee, S K [Department of Physics, National Institute of Technology, Durgapur, Deemed University, Mahatma Gandhi Avenue, PIN-713 209, West Bengal (India); Ghosh, M [Department of Physics, Ramananda College, Bishnupur, Bankura-722 122, West Bengal (India)
2006-07-21
Electrical transport properties of cobalt doped polyaniline in an aqueous ethanol medium were investigated in the temperature range 77 {<=} T {<=} 300 K, applying magnetic fields up to 1 T in the frequency range 20 Hz-1 MHz. The room temperature dc resistivity increases with increase in Co content. The dc resistivity and magnetoresistivity of these samples have been interpreted in terms of the variable range hopping theory. The frequency dependence of conductivity has been described by a power law {sigma}({omega}) {approx} {omega}{sup S}. The value of s is found to be temperature dependent, which shows a decreasing trend with temperature. The correlated barrier hopping model is the most likely mechanism for the electron transport. The different physical parameters were calculated from the experimental data.
TRANSPORT PROPERTIES OF THE STRONGLY CORRELATED SYSTEMS
Directory of Open Access Journals (Sweden)
T.Domanski
2004-01-01
Full Text Available The transport properties of various systems are studied here in the context of three different models. These are: - the disordered Hubbard model applicable to correlated binary alloys with a general disorder, - the Anderson model used in describing the Kondo physics of a quantum dot connected to the external superconducting leads, and - the Ranninger-Robaszkiewicz model applied to the study of optical properties of the system with preformed electron pairs above the temperature of transition to the superconducting state. We calculate the density of states, specific heat, the Wilson ratio and conductivity of the correlated binary alloy with off-diagonal disorder. We investigate the conditions under which the Kondo peak appears in the density of states and in the conductance of a dot coupled to the external superconducting leads. We analyze the effect of the pseudogap on the optical spectra in the high temperature superconductors described by the boson-fermion model.
Interference of macroscopic superpositions
Vecchi, I
2000-01-01
We propose a simple experimental procedure based on the Elitzur-Vaidman scheme to implement a quantum nondemolition measurement testing the persistence of macroscopic superpositions. We conjecture that its implementation will reveal the persistence of superpositions of macroscopic objects in the absence of a direct act of observation.
Banerjee, Arghya Narayan; Joo, Sang W
2011-09-07
Field emission properties of CuAlO(2) nanoparticles are reported for the first time, with a low turn-on field of approximately 2 V µm(-1) and field enhancement factor around 230. The field emission process follows the standard Fowler-Nordheim tunnelling of cold electron emission. The emission mechanism is found to be a combination of low electron affinity, internal nanostructure and large field enhancement at the low-dimensional emitter tips of the nanoparticles. The field emission properties are comparable to the conventional carbon-based field emitters, and thus can become alternative candidate for field emission devices for low-power panel applications.
Zhang, Teng; Luo, Tengfei
2014-01-01
Polymer nanofibers with high thermal conductivities and outstanding thermal stabilities are highly desirable in heat transfer-critical applications such as thermal management, heat exchangers and energy storage. In this work, we unlock the fundamental relations between the thermal conductivity and thermal stability of polymer nanofibers and their molecular characteristics by studying the temperature-induced phase transitions and thermal transport of a series of polymer nanofibers. Ten different polymer nanofibers with systematically chosen molecular structures are studied using large scale molecular dynamics simulations. We found that high thermal conductivity and good thermal stability can be achieved in polymers with rigid backbones, exemplified by {\\pi}-conjugated polymers, due to suppressed segmental rotations and large phonon group velocities. The low probability of segmental rotation does not only prevent temperature-induced phase transition but also enables long phonon mean free paths due to reduced di...
Electronic transport properties of (fluorinated) metal phthalocyanine
Fadlallah, M M
2015-12-21
The magnetic and transport properties of the metal phthalocyanine (MPc) and F16MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S–Au wires are investigated by density functional theory within the local density approximation, including local electronic correlations on the central metal atom. The magnetic moments are found to be considerably modified under fluorination. In addition, they do not depend exclusively on the configuration of the outer electronic shell of the central metal atom (as in isolated MPc and F16MPc) but also on the interaction with the leads. Good agreement between the calculated conductance and experimental results is obtained. For M = Ag, a high spin filter efficiency and conductance is observed, giving rise to a potentially high sensitivity for chemical sensor applications.
Electronic transport properties of phenylacetylene molecular junctions
Institute of Scientific and Technical Information of China (English)
Liu Wen; Cheng Jie; Yah Cui-Xia; Li Hai-Hong; Wang Yong-Juan; Liu De-Sheng
2011-01-01
Electronic transport properties of a kind of phenylacetylene compound- (4-mercaptophenyl)-phenylacetylene are calculated by the first-principles method in the framework of density functional theory and the nonequilibrium Green's function formalism.The molecular junction shows an obvious rectifying behaviour at a bias voltage larger than 1.0 V.The rectification effect is attributed to the asymmetry of the interface contacts.Moreover,at a bias voltage larger than 2.0 V,which is not referred to in a relevant experiment [Fang L,Park J Y,Ma H,Jan A K Y and Salmeron M 2007 Langmuir 23 11522],we find a negative differential resistance phenomenon.The negative differential resistance effect may originate from the change of the delocalization degree of the molecular orbitais induced by the bias.
Transport Properties of the Universal Quantum Equation
Institute of Scientific and Technical Information of China (English)
A.I.Arbab
2012-01-01
The universal quantum equation (UQE) is found to describe the transport properties of the quantum particles.This equation describes a wave equation interacting with constant scalar and vector potentials propagating in spacetime.A new transformation that sends the Schr(o)dinger equation with a potential energy V =-1/2mc2 to Dirac's equation is proposed.The Cattaneo telegraph equation as well as a one-dimensional UQE are compatible with our recently proposed generalized continuity equations.Furthermore,a new wave equation resulted from the invariance of the UQE under the post-Galilean transformations is derived.This equation is found to govern a Klein Gordon's particle interacting with a photon-like vector field (ether) whose magnitude is proportional to the particle's mass.
Ruiz, Siul; Capelli, Achille; van Herwijnen, Alec; Schneebeli, Martin; Or, Dani
2017-08-01
Digital cone penetration measurements can be used to infer snow mechanical properties, for instance, to study snow avalanche formation. The standard interpretation of these measurements is based on statistically inferred micromechanical interactions between snow microstructural elements and a well-calibrated penetrating cone. We propose an alternative continuum model to derive the modulus of elasticity and yield strength of snow based on the widely used cavity expansion model in soils. We compare results from these approaches based on laboratory cone penetration measurements in snow samples of different densities and structural sizes. Results suggest that the micromechanical model underestimates the snow elastic modulus for dense samples by 2 orders of magnitude. By comparison with the cavity expansion-based model, some of the discrepancy is attributed to low sensitivity of the micromechanical model to the snow elastic modulus. Reasons and implications of this discrepancy are discussed, and possibilities to enhance both methodologies are proposed.
Kastrin, Andrej; Rindflesch, Thomas C; Hristovski, Dimitar
2014-01-01
Concept associations can be represented by a network that consists of a set of nodes representing concepts and a set of edges representing their relationships. Complex networks exhibit some common topological features including small diameter, high degree of clustering, power-law degree distribution, and modularity. We investigated the topological properties of a network constructed from co-occurrences between MeSH descriptors in the MEDLINE database. We conducted the analysis on two networks, one constructed from all MeSH descriptors and another using only major descriptors. Network reduction was performed using the Pearson's chi-square test for independence. To characterize topological properties of the network we adopted some specific measures, including diameter, average path length, clustering coefficient, and degree distribution. For the full MeSH network the average path length was 1.95 with a diameter of three edges and clustering coefficient of 0.26. The Kolmogorov-Smirnov test rejects the power law as a plausible model for degree distribution. For the major MeSH network the average path length was 2.63 edges with a diameter of seven edges and clustering coefficient of 0.15. The Kolmogorov-Smirnov test failed to reject the power law as a plausible model. The power-law exponent was 5.07. In both networks it was evident that nodes with a lower degree exhibit higher clustering than those with a higher degree. After simulated attack, where we removed 10% of nodes with the highest degrees, the giant component of each of the two networks contains about 90% of all nodes. Because of small average path length and high degree of clustering the MeSH network is small-world. A power-law distribution is not a plausible model for the degree distribution. The network is highly modular, highly resistant to targeted and random attack and with minimal dissortativity.
Transport properties of supercooled confined water
Mallamace, F.; Branca, C.; Broccio, M.; Corsaro, C.; Gonzalez-Segredo, N.; Spooren, J.; Stanley, H. E.; Chen, S.-H.
2008-07-01
This article presents an overview of recent experiments performed on transport properties of water in the deeply supercooled region, a temperature region of fundamental importance in the science of water. We report data of nuclear magnetic resonance, quasi-elastic neutron scattering, Fourier-transform infrared spectroscopy, and Raman spectroscopy, studying water confined in nanometer-scale environments. When contained within small pores, water does not crystallise, and can be supercooled well below its homogeneous nucleation temperature Th. On this basis it is possible to carry out a careful analysis of the well known thermodynamical anomalies of water. Studying the temperature and pressure dependencies of water dynamics, we show that the liquid-liquid phase transition (LLPT) hypothesis represents a reliable model for describing liquid water. In this model, water in the liquid state is a mixture of two different local structures, characterised by different densities, namely the low density liquid (LDL) and the high-density liquid (HDL). The LLPT line should terminate at a special transition point: a low-T liquid-liquid critical point. We discuss the following experimental findings on liquid water: (i) a crossover from non-Arrhenius behaviour at high T to Arrhenius behaviour at low T in transport parameters; (ii) a breakdown of the Stokes-Einstein relation; (iii) the existence of a Widom line, which is the locus of points corresponding to maximum correlation length in the p-T phase diagram and which ends in the liquid-liquid critical point; (iv) the direct observation of the LDL phase; (v) a minimum in the density at approximately 70 K below the temperature of the density maximum. In our opinion these results represent the experimental proofs of the validity of the LLPT hypothesis.
Makuch, Karol
2015-10-01
In 1983, Felderhof, Ford, and Cohen gave microscopic explanation of the famous Clausius-Mossotti formula for the dielectric constant of nonpolar dielectric. They based their considerations on the cluster expansion of the dielectric constant, which relates this macroscopic property with the microscopic characteristics of the system. In this article, we analyze the cluster expansion of Felderhof, Ford, and Cohen by performing its resummation (renormalization). Our analysis leads to the ring expansion for the macroscopic characteristic of the system, which is an expression alternative to the cluster expansion. Using similarity of structures of the cluster expansion and the ring expansion, we generalize (renormalize) the Clausius-Mossotti approximation. We apply our renormalized Clausius-Mossotti approximation to the case of the short-time transport properties of suspensions, calculating the effective viscosity and the hydrodynamic function with the translational self-diffusion and the collective diffusion coefficient. We perform calculations for monodisperse hard-sphere suspensions in equilibrium with volume fraction up to 45 % . To assess the renormalized Clausius-Mossotti approximation, it is compared with numerical simulations and the Beenakker-Mazur method. The results of our renormalized Clausius-Mossotti approximation lead to comparable or much less error (with respect to the numerical simulations) than the Beenakker-Mazur method for the volume fractions below ϕ ≈30 % (apart from a small range of wave vectors in hydrodynamic function). For volume fractions above ϕ ≈30 % , the Beenakker-Mazur method gives in most cases lower error than the renormalized Clausius-Mossotti approximation.
Transport properties of ruthenophanes - A theoretical insight
Garcia, Leone C.; Caramori, Giovanni F.; Bergamo, Pedro A. S.; Parreira, Renato L. T.
2016-10-01
In this article, the electron transport properties of a series of ruthenophanes, 1-4, containing electron-donor and electron-acceptor substituents are studied. The electronic transmission at zero bias is mainly driven by only one eigenchannel. The substitutions constrain the energies in which the probability of electronic transmission is significant. The results suggest that the conductance at zero bias is dependent on the nature of the employed substituent. The eigenchannel wave functions show that the central molecules are preferentially coupled with right electrode. The calculated molecular projected self-consistent hamiltonian states also suggest that there is a dependence of the conductance at zero bias with the nature of the employed substituent. The current-voltage analyses suggest that the negative differential resistance effect is present in ruthenophanes, but it is dependent on both the nature of the substituent and the bias. Despite the moderate rectification ratio of the ruthenophanes, they present non-ohmic behaviour, indicating that they can be used as potential candidates in electronic molecular devices such as switches, oscillators, and frequency multipliers.
Macroscopic quantum resonators (MAQRO)
Kaltenbaek, Rainer; Kiesel, Nikolai; Romero-Isart, Oriol; Johann, Ulrich; Aspelmeyer, Markus
2012-01-01
Quantum physics challenges our understanding of the nature of physical reality and of space-time and suggests the necessity of radical revisions of their underlying concepts. Experimental tests of quantum phenomena involving massive macroscopic objects would provide novel insights into these fundamental questions. Making use of the unique environment provided by space, MAQRO aims at investigating this largely unexplored realm of macroscopic quantum physics. MAQRO has originally been proposed as a medium-sized fundamental-science space mission for the 2010 call of Cosmic Vision. MAQRO unites two experiments: DECIDE (DECoherence In Double-Slit Experiments) and CASE (Comparative Acceleration Sensing Experiment). The main scientific objective of MAQRO, which is addressed by the experiment DECIDE, is to test the predictions of quantum theory for quantum superpositions of macroscopic objects containing more than 10e8 atoms. Under these conditions, deviations due to various suggested alternative models to quantum th...
Transport properties of doped BICUVOX ceramics
Directory of Open Access Journals (Sweden)
Yaremchenko, A. A.
1999-12-01
Full Text Available Polycrystalline Bi2-xLaxV0.90Cu0.10O5.5-δ (x = 0, 0.10 and 0.20 and Bi1.90Pr0.10V0.90Cu0.10O5.5-δ were prepared by the standard ceramic- synthesis technique. The total electrical conductivity of Bi1.90La0.10V0.90Cu0.10O5.5-δ at temperatures above 500 K is slightly lower than undoped BICUVOX.10, but transport properties in the temperature range 370 - 450 K are similar. Doping BICUVOX. 10 with praseodymium led to the formation of impurity phases, and to both lower conductivity and thermal expansion of ceramic samples. Oxygen-ion transference numbers of phases with moderate rare-earth dopant content (x ≤ 0.10 vary in the range 0.90 - 0.99 at 780 - 910 K and decrease with increasing temperature. Thermal expansion coefficients calculated from the dilatometric data for Bi2-xLnxV0.90Cu0.10O5.5-δ ceramics are (16.1 - 18.0 x 10-6 K-1 at 730 - 1050 K.
Bi2-xLaxV0.90Cu0.10O5.5-δ (x = 0, 0.10 and 0.20 y Bi1.90Pr0.10V0.90Cu0.10O5.5-δ policristalinos fueron preparados por síntesis cerámica convencional. La conductividad eléctrica total de Bi2-xLaxV0.90Cu0.10O5.5-δ a temperaturas superiores a 500K es ligeramente menor que la correspondiente a BICUVOX.10 no dopada, pero las propiedades de transporte en el rango de temperaturas 370- 450K son similares. Dopando BICUVOX.10 con praseodimio produce la formación de fases secundarias y la reducción de la conductividad y la expansión térmica de las muestras cerámicas. El número de transporte del ión sin oxígeno de fases con un contenido en tierra rara moderado como dopante (x ≤ 0.10 varía en el rango 0.90-0.99 a 780-910k y disminuye con el aumento de la temperatura. Los coeficientes de expansión térmicos calculados a partir de los datos dilatométricos para cerámicas Bi2-xLnxV0.90Cu0.10O5.5-δ son (16.1 - 18.0 x 10-6 K-1 a 730 - 1050 K.
Transport properties of graphene and its application
Lu, Jianming
This thesis focuses on the transport properties of graphene, a new emerging atomically thin, two-dimensional material, with and without the application of a magnetic field. Because of its high mobility, graphene is a promising candidate for Extraordinary Magnetoresistance (EMR) devices. The magnetoresistance of an EMR device arises mainly from its geometry rather than the intrinsic response of the material itself to an applied magnetic field. As a result, the geometric parameters play an important role in its performance. Experiments employing various combinations of geometric parameters and graphene of different quality levels were conducted to determine the optimal results. We found that the optimized parameters vary for different applied magnetic fields. In a magnetic field of 9 Tesla, magnetoresistance up to 55,000% was observed. In addition, Finite Element Analysis (FEA) simulations are used to complement the experiments and explain the measured magnetoresistance. The excellent agreement between the simulations and experimental results indicates that theoretical simulation can be used as a convenient method to explore EMR devices with alternative geometries or materials. The anomalous quantum Hall effect is one of the most exciting properties of graphene. The observation of the v=0 state above a critical magnetic field is closely related to the quality of the graphene, where a higher quality reduces the critical field needed. With our high quality graphene sample, the critical field is reduced to 6.75 Tesla. Moreover, from 6.75 T to 9T, the resistance at the cross point of the metal-insulator transition (MIT) is very close to h/2e2, which resembles the case of a disordered two-dimensional electron gas (2DEG) and may indicate a similar physical mechanism. In addition to the magnetotransport measurements, the current saturation of graphene in a high electric field is studied both theoretically and experimentally. This thesis focuses primarily on bilayer graphene
Macroscopic Modeling of Polymer-Electrolyte Membranes
Energy Technology Data Exchange (ETDEWEB)
Weber, A.Z.; Newman, J.
2007-04-01
In this chapter, the various approaches for the macroscopic modeling of transport phenomena in polymer-electrolyte membranes are discussed. This includes general background and modeling methodologies, as well as exploration of the governing equations and some membrane-related topic of interest.
Electronic, transport, and magnetic properties of punctured carbon nanotubes
dos Santos, Jeová Calisto; de Vasconcelos, Fabrício Morais; de Aguiar, Acrísio Lins; Alves, Tayroni Francisco de Alencar; Meunier, Vincent; Girão, Eduardo Costa
2016-12-01
We use a spin-polarized tight-binding model Hamiltonian and the Landauer transport formalism to investigate the electronic transport properties of carbon nanotubes where different types of holes have been drilled through their sidewalls. We focus on zigzag edged defects with different atomic configurations since these systems enable the emergence of magnetic properties. We show that a number of hole geometries, magnetic states, and electronic spins yield attractive transport properties, such as ON/OFF switching for the electronic current, and nontrivial dependence of transmission with hole size.
Transport properties site descriptive model. Guidelines for evaluation and modelling
Energy Technology Data Exchange (ETDEWEB)
Berglund, Sten [WSP Environmental, Stockholm (Sweden); Selroos, Jan-Olof [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)
2004-04-01
This report describes a strategy for the development of Transport Properties Site Descriptive Models within the SKB Site Investigation programme. Similar reports have been produced for the other disciplines in the site descriptive modelling (Geology, Hydrogeology, Hydrogeochemistry, Rock mechanics, Thermal properties, and Surface ecosystems). These reports are intended to guide the site descriptive modelling, but also to provide the authorities with an overview of modelling work that will be performed. The site descriptive modelling of transport properties is presented in this report and in the associated 'Strategy for the use of laboratory methods in the site investigations programme for the transport properties of the rock', which describes laboratory measurements and data evaluations. Specifically, the objectives of the present report are to: Present a description that gives an overview of the strategy for developing Site Descriptive Models, and which sets the transport modelling into this general context. Provide a structure for developing Transport Properties Site Descriptive Models that facilitates efficient modelling and comparisons between different sites. Provide guidelines on specific modelling issues where methodological consistency is judged to be of special importance, or where there is no general consensus on the modelling approach. The objectives of the site descriptive modelling process and the resulting Transport Properties Site Descriptive Models are to: Provide transport parameters for Safety Assessment. Describe the geoscientific basis for the transport model, including the qualitative and quantitative data that are of importance for the assessment of uncertainties and confidence in the transport description, and for the understanding of the processes at the sites. Provide transport parameters for use within other discipline-specific programmes. Contribute to the integrated evaluation of the investigated sites. The site descriptive
Transport Properties of some Conducting TCNQ-Salts
DEFF Research Database (Denmark)
Mortensen, Kell; Jacobsen, C. S.; Andersen, J. R.
1979-01-01
An experimental decomposition of the transport properties for organic transfer salts is attempted on the basis of conductivity and thermopower measurements. A decomposition is proposed on the compound: TMTSF-DMTCNQ. Furthermore some new transport data on the organic low-temperature conductor: HMT...
Computer program for calculating thermodynamic and transport properties of fluids
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.
Molecular properties of bacterial multidrug transporters
Putman, M; van Veen, HW; Konings, WN
2000-01-01
One of the mechanisms that bacteria utilize to evade the toxic effects of antibiotics is the active extrusion of structurally unrelated drugs from the cell. Both intrinsic and acquired multidrug transporters play an important role in antibiotic resistance of several pathogens, including Neisseria go
A macroscopic challenge for quantum spacetime
Amelino-Camelia, Giovanni
2013-01-01
Over the last decade a growing number of quantum-gravity researchers has been looking for opportunities for the first ever experimental evidence of a Planck-length quantum property of spacetime. These studies are usually based on the analysis of some candidate indirect implications of spacetime quantization, such as a possible curvature of momentum space. Some recent proposals have raised hope that we might also gain direct experimental access to quantum properties of spacetime, by finding evidence of limitations to the measurability of the center-of-mass coordinates of some macroscopic bodies. However I here observe that the arguments that originally lead to speculating about spacetime quantization do not apply to the localization of the center of mass of a macroscopic body. And I also analyze some popular formalizations of the notion of quantum spacetime, finding that when the quantization of spacetime is Planckian for the constituent particles then for the composite macroscopic body the quantization of spa...
Nanoplasmon-enabled macroscopic thermal management
Jonsson, Gustav Edman; Dmitriev, Alexandre
2013-01-01
In numerous applications of energy harvesting via transformation of light into heat the focus recently shifted towards highly absorptive materials featuring nanoplasmons. It is currently established that noble metals-based absorptive plasmonic platforms deliver significant light-capturing capability and can be viewed as super-absorbers of optical radiation. However, direct experimental evidence of plasmon-enabled macroscopic temperature increase that would result from these efficient absorptive properties is scarce. Here we derive a general quantitative method of characterizing light-capturing properties of a given heat-generating absorptive layer by macroscopic thermal imaging. We further monitor macroscopic areas that are homogeneously heated by several degrees with plasmon nanostructures that occupy a mere 8% of the surface, leaving it essentially transparent and evidencing significant heat generation capability of nanoplasmon-enabled light capture. This has a direct bearing to thermophotovoltaics and othe...
Confined Water Determines Transport Properties of Guest Molecules in Narrow Pores.
Phan, Anh; Cole, David R; Weiß, R Gregor; Dzubiella, Joachim; Striolo, Alberto
2016-08-23
We computed the transport of methane through 1 nm wide slit-shaped pores carved out of solid substrates. Models for silica, magnesium oxide, and alumina were used as solid substrates. The pores were filled with water. The results show that the methane permeability through the hydrated pores is strongly dependent on the solid substrate. Detailed analysis of the simulated systems reveals that local properties of confined water, including its structure, and more importantly, evolution of solvation free energy and hydrogen bond structure are responsible for the pronounced differences observed. The simulations are extended to multicomponent systems representative of natural gas, containing methane, ethane, and H2S. The results show that all pores considered have high affinity for H2S, moderate affinity for methane, and low affinity for ethane. The H2S/methane transport selectivity through the hydrated alumina pore is comparable, or superior, to that reported for existing commercial membranes. A multiscale approach was then implemented to demonstrate that a Smoluchowski one-dimensional model is able to reproduce the molecular-level results for short pores when appropriate values for the local self-diffusion coefficients are used as input parameters. We propose that the model can be extended to predict methane transport through uniform hydrated pores of macroscopic length. When verified by experiments, our simulation results could have important implications in applications such as natural gas sweetening and predictions of methane migration through hydraulically fractured shale formations.
Transport properties in dilute UN (X ) solid solutions (X =Xe ,Kr )
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.
Electronic and transport properties of Ge nanoparticle pellets structured by focused ion beam
Energy Technology Data Exchange (ETDEWEB)
Gondorf, Andreas; Geller, Martin; Lorke, Axel [Universitaet Duisburg-Essen, Duisburg (Germany)
2010-07-01
Semiconductor nanoparticles are of interest for future electronic and optoelectronic devices, especially low cost, flexible, printable electronics. We investigate here the transport properties (charge carrier concentration and mobility) of Ge nanoparticles, which were synthesized in the gas-phase and pressed into pellets. The nanoparticles inside these pellets sinter into a sponge-like structure, that may exhibit unusual magneto-transport properties similar to the strong magnetoresistance observed in nanoporous gold [Fujita, PRL 101, 166601 (2008)]. The measurements are made on directly contacted macroscopic pellets and on Hall-bar microstructures fabricated by a focused ion beam (FIB). In the FIB fabrication process, a lamella is cut out of a pellet and positioned onto a prestructured substrate with metal contacts. The sample is connected with the contacts by deposition of platinum. Finally the disk is etched by FIB into a Hallbar shape. We use I-V and Hall-measurements and find a very weak but measurable Hall-effect and a negative magnetoresistance of about 0.01% at 2.5 T. At room temperature, Ge nanoparticles show a charge carrier concentration of about 4.10{sup 14} cm{sup -3}, comparable to the intrinsic charge carrier concentration in bulk germanium. Ge nanoparticles have a very low mobility of 0.1 cm{sup 2}/Vs at 25 C, which is comparable to the mobility of organic semiconductors, so that Ge nanoparticles may be suitable in some applications which are presently based on organic semiconductors.
Transport properties of nanoperforated Nb thin films
Energy Technology Data Exchange (ETDEWEB)
Trezza, M., E-mail: trezza@sa.infn.i [Laboratorio Regionale SuperMat, CNR-INFM Salerno and Dipartimento di Fisica ' E. R. Caianiello' , Universita degli Studi di Salerno, Baronissi I-84081 (Italy); Cirillo, C. [Laboratorio Regionale SuperMat, CNR-INFM Salerno and Dipartimento di Fisica ' E. R. Caianiello' , Universita degli Studi di Salerno, Baronissi (Saudi Arabia) I-84081 (Italy); Prischepa, S.L. [State University of Informatics and RadioElectronics, P. Brovka Street 6, Minsk 220013 (Belarus); Attanasio, C. [Laboratorio Regionale SuperMat, CNR-INFM Salerno and Dipartimento di Fisica ' E. R. Caianiello' , Universita degli Studi di Salerno, Baronissi I-84081 (Italy)
2010-10-01
Porous silicon, obtained by electrochemical etching, has been used as a substrate for the growth of nanoperforated Nb thin films. The films, deposited by UHV magnetron sputtering, inherited from the Si substrates their structure, made of holes of 10 nm diameter and of 20 and 40 nm spacing, which provide an artificial pinning lattice. Commensurability effects between the Abrikosov vortex lattice and the artificial array of holes were investigated by transport measurements.
Macroscopic Theory of Dark Sector
Directory of Open Access Journals (Sweden)
Boris E. Meierovich
2014-01-01
Full Text Available A simple Lagrangian with squared covariant divergence of a vector field as a kinetic term turned out to be an adequate tool for macroscopic description of the dark sector. The zero-mass field acts as the dark energy. Its energy-momentum tensor is a simple additive to the cosmological constant. Massive fields describe two different forms of dark matter. The space-like massive vector field is attractive. It is responsible for the observed plateau in galaxy rotation curves. The time-like massive field displays repulsive elasticity. In balance with dark energy and ordinary matter it provides a four-parametric diversity of regular solutions of the Einstein equations describing different possible cosmological and oscillating nonsingular scenarios of evolution of the Universe. In particular, the singular big bang turns into a regular inflation-like transition from contraction to expansion with the accelerated expansion at late times. The fine-tuned Friedman-Robertson-Walker singular solution is a particular limiting case at the lower boundary of existence of regular oscillating solutions in the absence of vector fields. The simplicity of the general covariant expression for the energy-momentum tensor allows displaying the main properties of the dark sector analytically. Although the physical nature of dark sector is still unknown, the macroscopic theory can help analyze the role of dark matter in astrophysical phenomena without resorting to artificial model assumptions.
Makuch, Karol
2015-10-01
In 1983, Felderhof, Ford, and Cohen gave microscopic explanation of the famous Clausius-Mossotti formula for the dielectric constant of nonpolar dielectric. They based their considerations on the cluster expansion of the dielectric constant, which relates this macroscopic property with the microscopic characteristics of the system. In this article, we analyze the cluster expansion of Felderhof, Ford, and Cohen by performing its resummation (renormalization). Our analysis leads to the ring expansion for the macroscopic characteristic of the system, which is an expression alternative to the cluster expansion. Using similarity of structures of the cluster expansion and the ring expansion, we generalize (renormalize) the Clausius-Mossotti approximation. We apply our renormalized Clausius-Mossotti approximation to the case of the short-time transport properties of suspensions, calculating the effective viscosity and the hydrodynamic function with the translational self-diffusion and the collective diffusion coefficient. We perform calculations for monodisperse hard-sphere suspensions in equilibrium with volume fraction up to 45%. To assess the renormalized Clausius-Mossotti approximation, it is compared with numerical simulations and the Beenakker-Mazur method. The results of our renormalized Clausius-Mossotti approximation lead to comparable or much less error (with respect to the numerical simulations) than the Beenakker-Mazur method for the volume fractions below ϕ≈30% (apart from a small range of wave vectors in hydrodynamic function). For volume fractions above ϕ≈30%, the Beenakker-Mazur method gives in most cases lower error than the renormalized Clausius-Mossotti approximation.
Physical transport properties of marine microplastic pollution
Directory of Open Access Journals (Sweden)
A. Ballent
2012-12-01
Full Text Available Given the complexity of quantitative collection, knowledge of the distribution of microplastic pollution in many regions of the world ocean is patchy, both spatially and temporally, especially for the subsurface environment. However, with knowledge of typical hydrodynamic behavior of waste plastic material, models predicting the dispersal of pelagic and benthic plastics from land sources into the ocean are possible. Here we investigate three aspects of plastic distribution and transport in European waters. Firstly, we assess patterns in the distribution of plastics found in fluvial strandlines of the North Sea and how distribution may be related to flow velocities and distance from source. Second, we model transport of non-buoyant preproduction pellets in the Nazaré Canyon of Portugal using the MOHID system after assessing the density, settling velocity, critical and depositional shear stress characteristics of such waste plastics. Thirdly, we investigate the effect of surface turbulences and high pressures on a range of marine plastic debris categories (various densities, degradation states and shapes tested in an experimental water column simulator tank and pressure laboratory. Plastics deposited on North Sea strandlines varied greatly spatially, as a function of material composition and distance from source. Model outputs indicated that such dense production pellets are likely transported up and down canyon as a function of tidal forces, with only very minor net down canyon movement. Behaviour of plastic fragments under turbulence varied greatly, with the dimensions of the material, as well as density, playing major determining roles. Pressure was shown to affect hydrodynamic behaviours of only low density foam plastics at pressures ≥ 60 bar.
Physical transport properties of marine microplastic pollution
Ballent, A.; Purser, A.; Mendes, P. de Jesus; Pando, S.; Thomsen, L.
2012-12-01
Given the complexity of quantitative collection, knowledge of the distribution of microplastic pollution in many regions of the world ocean is patchy, both spatially and temporally, especially for the subsurface environment. However, with knowledge of typical hydrodynamic behavior of waste plastic material, models predicting the dispersal of pelagic and benthic plastics from land sources into the ocean are possible. Here we investigate three aspects of plastic distribution and transport in European waters. Firstly, we assess patterns in the distribution of plastics found in fluvial strandlines of the North Sea and how distribution may be related to flow velocities and distance from source. Second, we model transport of non-buoyant preproduction pellets in the Nazaré Canyon of Portugal using the MOHID system after assessing the density, settling velocity, critical and depositional shear stress characteristics of such waste plastics. Thirdly, we investigate the effect of surface turbulences and high pressures on a range of marine plastic debris categories (various densities, degradation states and shapes tested) in an experimental water column simulator tank and pressure laboratory. Plastics deposited on North Sea strandlines varied greatly spatially, as a function of material composition and distance from source. Model outputs indicated that such dense production pellets are likely transported up and down canyon as a function of tidal forces, with only very minor net down canyon movement. Behaviour of plastic fragments under turbulence varied greatly, with the dimensions of the material, as well as density, playing major determining roles. Pressure was shown to affect hydrodynamic behaviours of only low density foam plastics at pressures ≥ 60 bar.
Statistical properties of transport in plasma turbulence
DEFF Research Database (Denmark)
Naulin, V.; Garcia, O.E.; Nielsen, A.H.;
2004-01-01
The statistical properties of the particle flux in different types of plasma turbulence models are numerically investigated using probability distribution functions (PDFs). The physics included in the models range from two-dimensional drift wave turbulence to three-dimensional MHD dynamics...
Transport properties of porous media from the microstructure
Energy Technology Data Exchange (ETDEWEB)
Torquato, S. [Princeton Univ., NJ (United States)
1995-12-31
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.
Unsaturated Zone and Saturated Zone Transport Properties (U0100)
Energy Technology Data Exchange (ETDEWEB)
J. Conca
2000-12-20
This Analysis/Model Report (AMR) summarizes transport properties for the lower unsaturated zone hydrogeologic units and the saturated zone at Yucca Mountain and provides a summary of data from the Busted Butte Unsaturated Zone Transport Test (UZTT). The purpose of this report is to summarize the sorption and transport knowledge relevant to flow and transport in the units below Yucca Mountain and to provide backup documentation for the sorption parameters decided upon for each rock type. Because of the complexity of processes such as sorption, and because of the lack of direct data for many conditions that may be relevant for Yucca Mountain, data from systems outside of Yucca Mountain are also included. The data reported in this AMR will be used in Total System Performance Assessment (TSPA) calculations and as general scientific support for various Process Model Reports (PMRs) requiring knowledge of the transport properties of different materials. This report provides, but is not limited to, sorption coefficients and other relevant thermodynamic and transport properties for the radioisotopes of concern, especially neptunium (Np), plutonium (Pu), Uranium (U), technetium (Tc), iodine (I), and selenium (Se). The unsaturated-zone (UZ) transport properties in the vitric Calico Hills (CHv) are discussed, as are colloidal transport data based on the Busted Butte UZTT, the saturated tuff, and alluvium. These values were determined through expert elicitation, direct measurements, and data analysis. The transport parameters include information on interactions of the fractures and matrix. In addition, core matrix permeability data from the Busted Butte UZTT are summarized by both percent alteration and dispersion.
Magnetothermoelectric transport properties of multiterminal graphene nanoribbons
Wei, Miao-Miao; Zhang, Ying-Tao; Guo, Ai-Min; Liu, Jian-Jun; Xing, Yanxia; Sun, Qing-Feng
2016-06-01
The Peltier effect and the Ettingshausen effect are investigated in graphene nanoribbons, where charge current produces heat current along the longitudinal direction in the former case, and longitudinal charge current generates transverse heat current in the latter case. With the aid of the nonequilibrium Green's function and the Landauer-Büttiker formalism, the Peltier coefficient Πc and the Ettingshausen coefficient Ec are obtained. We found that the Kelvin relation is always valid for the longitudinal thermoelectric transport, i.e., Πc=T Sc , with T the temperature and Sc the Seebeck coefficient. In contrast, for transverse magnetothermoelectric transport, the Kelvin relation breaks down and Ec≠T Nc usually, with Nc the Nernst coefficient. In the region of weak magnetic field, the Ettingshausen effect depends strongly on device parameters. When the Fermi energy EF is close to the Dirac point, the Ettingshausen effect of the semiconducting armchair graphene nanoribbon is much stronger than that of the metallic one. When EF is far away from the Dirac point, the Ettingshausen coefficient Ec oscillates around zero. When under a strong magnetic field, Ec is independent of the device parameters and swells only near the Dirac point. Further, the dependence of Ec on EF can be scaled by EF/kBT , with a peak value of (2 ln2 ) kBT /e for the three-terminal system and (4/3 ln2 ) kBT /e for the four-terminal system. We also study the impact of disorder on the Ettingshausen effect. Regardless of the magnetic field strength, Ec is robust against moderate disorder scattering. In addition, in the strong magnetic field, Ec with additional regular oscillating structure can be caused by disorder.
Zhang, S.; Liu, H. H.; van Dijke, M. I.; Geiger, S.; Agar, S. M.
2016-12-01
The relationship between flow properties and chemical reactions is key to modeling subsurface reactive transport. This study develops closed-form equations to describe the effects of mineral precipitation and dissolution on multiphase flow properties (capillary pressure and relative permeabilities) of porous media. The model accounts for the fact that precipitation/dissolution only takes place in the water-filled part of pore space. The capillary tube concept was used to connect pore-scale changes to macroscopic hydraulic properties. Precipitation/dissolution induces changes in the pore radii of water-filled pores and consequently in the pore-size distribution. The updated pore-size distribution is converted back to a new capillary pressure-water saturation relation from which the new relative permeabilities are calculated. Pore network modeling is conducted on a Berea sandstone to validate the new continuum-scale relations. The pore network modeling results are satisfactorily predicted by the new closed-form equations. Currently the effects of chemical reactions on flow properties are represented as a relation between permeability and porosity in reactive transport modeling. Porosity is updated after chemical calculations from the change of mineral volumes, then permeability change is calculated from the porosity change using an empirical permeability-porosity relation, most commonly the Carman-Kozeny relation, or the Verma-Pruess relation. To the best of our knowledge, there are no closed-form relations available yet for the effects of chemical reactions on multi-phase flow properties, and thus currently these effects cannot be accounted for in reactive transport modeling. This work presents new constitutive relations to represent how chemical reactions affect multi-phase flow properties on the continuum scale based on the conceptual model of parallel capillary tubes. The parameters in our new relations are either pre-existing input in a multi-phase flow
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.
Conical nanopore membranes. Preparation and transport properties.
Li, Naichao; Yu, Shufang; Harrell, C Chad; Martin, Charles R
2004-04-01
We have been investigating applications of nanopore membranes in analytical chemistry-specifically in membrane-based bioseparations, in electroanalytical chemistry, and in the development of new approaches to biosensor design. Membranes that have conically shaped pores (as opposed to the more conventional cylindrical shape) may offer some advantages for these applications. We describe here a simple plasma-etch method that converts cylindrical nanopores in track-etched polymeric membranes into conically shaped pores. This method allows for control of the shape of the resulting conical nanopores. For example, the plasma-etched pores may be cylindrical through most of the membrane thickness blossoming into cones at one face of the membrane (trumpet-shaped), or they may be nearly perfect cones. The key advantage of the conical pore shape is a dramatic enhancement in the rate of transport through the membrane, relative to an analogous cylindrical pore membrane. We demonstrate this here by measuring the ionic resistances of the plasma-etched conical pore membranes.
Transport properties of colossal magnetoresistive materials
Yates, K A
2002-01-01
A microwave technique was developed in order to test the validity of the hypothesis that the microwave transport of polycrystalline, optimally doped, colossal magnetoresistive materials was dominated by intragranular material. The microwave surface resistance at 9GHz was compared with dc resistivity and magnetisation to study the influence of yttrium doping on the grain boundary regions of bulk polycrystalline samples of La sub 0 sub . sub 7 sub - sub x Y sub x Ca sub 0 sub . sub 3 MnO sub 3. It was found that, within the grains, the addition of yttrium causes the activation energy above T sub p to increase. A phenomenological model was introduced to explain the data in terms of the difference in structure between the grain and grain boundary regions. The technique was also used to study the influence of deoxygenation on the grain boundary regions of bulk, polycrystalline, La sub 0 sub . sub 6 sub 7 Ca sub 0 sub . sub 3 sub 3 MnO sub 3. For samples interconnected porosity, low temperature (600 deg C), short a...
Transport properties of a novel molecular rotor
Xue, Mei; Wang, K. L.; Kabehie, Sanaz; Zink, Jeffrey I.
2008-03-01
Rotary motion around a molecular axis has been controlled by electron transfer process and by photoexcitation. The basis of the motion is intramolecular rotation of a ligand (3,8-di-ethynyltrityl-1, 10-phenanthroline) around a copper axle. The asymmetric copper system is synthesized by immobilizing a ``stator'' to a silicon support. The ``rotator,'' 3,8-di-ethynyltrityl-1, 10-phenanthroline is complexed to the metal center, Cu (I) or Cu (II) serving as an ``axle''. The Cu (I) system structure is tetrahedral, but that of Cu (II) is square planar. The interconversion of the two provides the basis for controlled, rotational motion. Hysteresis is observed in the different region of the applied voltage for different stators. The peak of the bisP-Si shifts to the left compared to that of the phen-Si stator because of the larger energy gap of phen-Si. The energy states of the Cu (I) and Cu (II) are extracted from the transport measurement results.
The macroscopic pancake bounce
Andersen Bro, Jonas; Sternberg Brogaard Jensen, Kasper; Nygaard Larsen, Alex; Yeomans, Julia M.; Hecksher, Tina
2017-01-01
We demonstrate that the so-called pancake bounce of millimetric water droplets on surfaces patterned with hydrophobic posts (Liu et al 2014 Nat. Phys. 10 515) can be reproduced on larger scales. In our experiment, a bed of nails plays the role of the structured surface and a water balloon models the water droplet. The macroscopic version largely reproduces the features of the microscopic experiment, including the Weber number dependence and the reduced contact time for pancake bouncing. The scalability of the experiment confirms the mechanisms of pancake bouncing, and allows us to measure the force exerted on the surface during the bounce. The experiment is simple and inexpensive and is an example where front-line research is accessible to student projects.
Macroscopic and direct light propulsion of bulk graphene material
Zhang, Tengfei; Wu, Yingpeng; Xiao, Peishuang; Yi, Ningbo; Lu, Yanhong; Ma, Yanfeng; Huang, Yi; Zhao, Kai; Yan, Xiao-Qing; Liu, Zhi-Bo; Tian, Jian-Guo; Chen, Yongsheng
2015-01-01
It has been a great challenge to achieve the direct light manipulation of matter on a bulk scale. In this work, the direct light propulsion of matter was observed on a macroscopic scale for the first time using a bulk graphene based material. The unique structure and properties of graphene and the morphology of the bulk graphene material make it capable of not only absorbing light at various wavelengths but also emitting energetic electrons efficiently enough to drive the bulk material following Newtonian mechanics. Thus, the unique photonic and electronic properties of individual graphene sheets are manifested in the response of the bulk state. These results offer an exciting opportunity to bring about bulk scale light manipulation with the potential to realize long-sought proposals in areas such as the solar sail and space transportation driven directly by sunlight.
Transport properties of partially ionized and unmagnetized plasmas
Magin, Thierry E.; Degrez, Gérard
2004-10-01
This work is a comprehensive and theoretical study of transport phenomena in partially ionized and unmagnetized plasmas by means of kinetic theory. The pros and cons of different models encountered in the literature are presented. A dimensional analysis of the Boltzmann equation deals with the disparity of mass between electrons and heavy particles and yields the epochal relaxation concept. First, electrons and heavy particles exhibit distinct kinetic time scales and may have different translational temperatures. The hydrodynamic velocity is assumed to be identical for both types of species. Second, at the hydrodynamic time scale the energy exchanged between electrons and heavy particles tends to equalize both temperatures. Global and species macroscopic fluid conservation equations are given. New constrained integral equations are derived from a modified Chapman-Enskog perturbative method. Adequate bracket integrals are introduced to treat thermal nonequilibrium. A symmetric mathematical formalism is preferred for physical and numerical standpoints. A Laguerre-Sonine polynomial expansion allows for systems of transport to be derived. Momentum, mass, and energy fluxes are associated to shear viscosity, diffusion coefficients, thermal diffusion coefficients, and thermal conductivities. A Goldstein expansion of the perturbation function provides explicit expressions of the thermal diffusion ratios and measurable thermal conductivities. Thermal diffusion terms already found in the Russian literature ensure the exact mass conservation. A generalized Stefan-Maxwell equation is derived following the method of Kolesnikov and Tirskiy. The bracket integral reduction in terms of transport collision integrals is presented in Appendix for the thermal nonequilibrium case. A simple Eucken correction is proposed to deal with the internal degrees of freedom of atoms and polyatomic molecules, neglecting inelastic collisions. The authors believe that the final expressions are
Industrial Requirements for Thermodynamics and Transport Properties
DEFF Research Database (Denmark)
Hendriks, Eric; Kontogeorgis, Georgios; Dohrn, Ralf
2010-01-01
. The main results are as follows. There is (still) an acute need for accurate, reliable, and thermodynamically consistent experimental data. Quality is more important than quantity. Similarly, there is a great need for reliable predictive, rather than correlative, models covering a wide range...... addressed to or written by industrial colleagues, are discussed initially. This provides the context of the survey and material with which the results of the survey can be compared. The results of the survey have been divided into the themes: data, models, systems, properties, education, and collaboration...... reactive systems (simultaneous chemical and physical equilibrium). Education in thermodynamics is perceived as key, for the future application of thermodynamics in the industry. A number of suggestions for improvement were made at all three levels (undergraduate, postgraduate, and professional development...
Electronic Transport Properties of (7,0) Semiconducting Carbon Nanotube
Institute of Scientific and Technical Information of China (English)
SONG Jiu-Xu; YANG Yin-Wang; CHAI Chang-Chun; LIU Hong-Xia; DING Rui-Xue
2008-01-01
Electronic transport properties of a finite (7,0) carbon nanotube (CNT) coupled to Au (111) surfaces are investigated with a fully nonequilibrium Green's functions method combined with the density functional theory. The results show that the coupling effect between the CNT and Au electrode plays an important role in the transport properties, which leads to the formation of a high plateau in the transmission spectrum around Fermi energy. In addition, the current-voltage characteristic of the (7,0) CNT coupled to Au electrodes is different from an isolated (7,0) CNT.
Prediction of transport and other physical properties of fluids
Bretsznajder, S
1971-01-01
Prediction of Transport and Other Physical Properties of Fluids reviews general methods for predicting the transport and other physical properties of fluids such as gases and liquids. Topics covered range from the theory of corresponding states and methods for estimating the surface tension of liquids to some basic concepts of the kinetic theory of gases. Methods of estimating liquid viscosity based on the principle of additivity are also described. This volume is comprised of eight chapters and opens by presenting basic information on gases and liquids as well as intermolecular forces and con
Canonical quantization of macroscopic electromagnetism
Energy Technology Data Exchange (ETDEWEB)
Philbin, T G, E-mail: tgp3@st-andrews.ac.u [School of Physics and Astronomy, University of St Andrews, North Haugh, St Andrews, Fife KY16 9SS (United Kingdom)
2010-12-15
Application of the standard canonical quantization rules of quantum field theory to macroscopic electromagnetism has encountered obstacles due to material dispersion and absorption. This has led to a phenomenological approach to macroscopic quantum electrodynamics where no canonical formulation is attempted. In this paper macroscopic electromagnetism is canonically quantized. The results apply to any linear, inhomogeneous, magnetodielectric medium with dielectric functions that obey the Kramers-Kronig relations. The prescriptions of the phenomenological approach are derived from the canonical theory.
Canonical quantization of macroscopic electromagnetism
Philbin, T G
2010-01-01
Application of the standard canonical quantization rules of quantum field theory to macroscopic electromagnetism has encountered obstacles due to material dispersion and absorption. This has led to a phenomenological approach to macroscopic quantum electrodynamics where no canonical formulation is attempted. In this paper macroscopic electromagnetism is canonically quantized. The results apply to any linear, inhomogeneous, magnetoelectric medium with dielectric functions that obey the Kramers-Kronig relations. The prescriptions of the phenomenological approach are derived from the canonical theory.
Quantum-walk transport properties on graphene structures
Bougroura, Hamza; Aissaoui, Habib; Chancellor, Nicholas; Kendon, Viv
2016-12-01
We present numerical studies of quantum walks on C60 and related graphene structures to investigate their transport properties. Also known as a honeycomb lattice, the lattice formed by carbon atoms in the graphene phase can be rolled up to form nanotubes of various dimensions. Graphene nanotubes have many important applications, some of which rely on their unusual electrical conductivity and related properties. Quantum walks on graphs provide an abstract setting in which to study such transport properties independent of the other chemical and physical properties of a physical substance. They can thus be used to further the understanding of mechanisms behind such properties. We find that nanotube structures are significantly more efficient in transporting a quantum walk than cycles of equivalent size, provided the symmetry of the structure is respected in how they are used. We find faster transport on zigzag nanotubes compared to armchair nanotubes, which is unexpected given that for the actual materials the armchair nanotube is metallic, while the zigzag is semiconducting.
Energy Technology Data Exchange (ETDEWEB)
Giorgi, R.; Turtu' , S. [ENEA, Centro Ricerche Casaccia, S. Maria di Galeria, RM (Italy). Dipt. Innovazione; Ascarelli, P. [Consiglio Nazionale delle Ricerche, Montelibretti, RM (Italy). Ist. di Metodologie Inorganiche Avanzate
1999-07-01
In this work the electronic properties and the composition of the three layers (diffusive, catalytic and outermost) are studied separately. In the first part, an anomalous behaviour of the photoemission peaks from the diffusive layer has been evidenced and correlated with the macroscopic electronic conductivity. In the second part, the electronic properties of the PT clusters are compared with the macroscopic electron conductivity. In the second part, the electronic properties of the PT clusters are compared with those of PT bulk, as a function of thermal treatment and after half-cell measurements. A correlation of the binding energy, asymmetry and width of the peaks with the different status of the metal has been attempted. [Italian] Il lavoro consiste di due parti: l'una dedicata allo studio delle caratteristiche dello strato di supporto e diffusivo, l'altra allo studio dello strato catalizzatore. Nella prima parte, la presenza anomala negli spettri XPS viene messa in relazione con la conducibilita' elettronica delle nanoparticelle metalliche in funzione delle condizioni di preparazione degli elettrodi e delle simulazioni di funzionamento. Sono messe in evidenza le problematiche connesse all'interpretazione degli spettri di fotoemissione da sistemi costituiti da particelle nanometriche, intermedi tra la condizione di atomo isolato e quella del solido, in cui gli effetti di dimensione svolgono un ruolo importante nel determinare risposte diverse ed inaspettate rispetto al comportamento del metallo massivo.
Properties of an affine transport equation and its holonomy
Vines, Justin; Nichols, David A.
2016-10-01
An affine transport equation was used recently to study properties of angular momentum and gravitational-wave memory effects in general relativity. In this paper, we investigate local properties of this transport equation in greater detail. Associated with this transport equation is a map between the tangent spaces at two points on a curve. This map consists of a homogeneous (linear) part given by the parallel transport map along the curve plus an inhomogeneous part, which is related to the development of a curve in a manifold into an affine tangent space. For closed curves, the affine transport equation defines a "generalized holonomy" that takes the form of an affine map on the tangent space. We explore the local properties of this generalized holonomy by using covariant bitensor methods to compute the generalized holonomy around geodesic polygon loops. We focus on triangles and "parallelogramoids" with sides formed from geodesic segments. For small loops, we recover the well-known result for the leading-order linear holonomy (˜ Riemann × area), and we derive the leading-order inhomogeneous part of the generalized holonomy (˜ Riemann × area^{3/2}). Our bitensor methods let us naturally compute higher-order corrections to these leading results. These corrections reveal the form of the finite-size effects that enter into the holonomy for larger loops; they could also provide quantitative errors on the leading-order results for finite loops.
Transport Properties of Carbon-Nanotube/Cement Composites
Han, B.; Yang, Z.; Shi, X.; Yu, X.
2012-01-01
This paper preliminarily investigates the general transport properties (i.e., water sorptivity, water permeability, and gas permeability) of carbon-nanotube/cement composites. Carboxyl multi-walled carbon nanotubes (MWNTs) are dispersed into cement mortar to fabricate the carbon nanotubes (CNTs) rei
Transport Properties of the Metallic State of TMTSF-DMTCNQ
DEFF Research Database (Denmark)
Bechgaard, Klaus; Andersen, Jan Rud; Andrieux, A.
1979-01-01
The authors report the transport properties (longitudinal and transverse conductivity, magnetoresistance and thermopower) of TMTSF-DMTCNQ for pressures up to 13 kbar and temperatures down to 1.2K together with the phase diagram which results from these measurements. The most striking results are ...
Transport properties of the Fermi hard-sphere system
Mecca, Angela; Benhar, Omar; Polls, Artur
2015-01-01
The transport properties of neutron star matter play an important role in a variety of astrophysical processes. We report the results of a calculation of the shear viscosity and thermal conductivity coefficients of the hard-sphere fermion system of degeneracy $\
Phase Structure and Transport Properties of Dense Quark Matter
Schaefer, Thomas
2010-01-01
We provide a summary of our current knowledge of the phase structure of very dense quark matter. We concentrate on the question how the ground state at asymptotically high density -- color-flavor-locked (CFL) matter -- is modified as the density is lowered. We discuss the nature of the quasi-particle excitations, and present work on the transport properties of dense QCD matter.
Technological Support of Critical Parts for Railway Transport Working Properties
Gabets, A. V.; Gabets, D. A.; Markov, A. M.; Radchenko, M. V.; Leonov, S. L.
2017-01-01
The materials of complex research of operational properties of a new brand cast iron CHMN-35M. Optimal chemical composition was determined. The obtained results allow to conclude about possibility of its use for the manufacture of critical parts of rolling stock of railway transport, in particular of a side bearing cap
Transport Properties of Metallic Ruthenates: A DFT +DMFT Investigation
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.
Casey, Alex; Iannacchione, Germano; Georgiev, Georgi; Cebe, Peggy
2014-03-01
A computational algorithm has been developed to simulate the transport properties of oriented and un-oriented thin film nanocomposites of isotactic Polypropylene (iPP) and carbon nanotubes (CNT) with increasing CNT concentration. Our goal is to be able to design materials with optimal properties using simulations. We use cellular automata approach in Matlab simulation environment. The percolation threshold is reproduced in the simulations, matching experimental data. Upon percolation, the thermal transport in the films increases sharply, more so for the electrical than for the thermal conductivity, due to the larger difference in the electric conductivities of the CNTs and the polymer. To verify the simulation, the thin-film samples were sheared in the melt at 200 C at 1 Hz in a Linkan microscope shearing hot stage. The thermal and electrical conductivity measurements were performed on the same cell arrangement with the transport perpendicular to the thin-film plane using a DC method. The thermal and electrical conductivity are higher for the un-sheared as compared to the sheared samples with stronger temperature dependence for the latter as compared to the former. Our cellular automata simulations provide information about the microstructure-macroscopic property relation in the thin film nanocomposites and can be extended to simulations of other important materials.
Transport properties of low-dimensional amorphous carbon films
Energy Technology Data Exchange (ETDEWEB)
Bhattacharyya, Somnath [Nano-Electronics Centre, Advanced Technology Institute, School of Electronics and Physical Sciences, University of Surrey (United Kingdom)]. E-mail: s.bhattacharyya@surrey.ac.uk; Silva, S.R.P. [Nano-Electronics Centre, Advanced Technology Institute, School of Electronics and Physical Sciences, University of Surrey (United Kingdom)
2005-06-22
Research on amorphous carbon (a-C) to date has focused on the distinction between the sp{sup 2} and sp{sup 3} phases and understanding the properties on the basis of the sp{sup 2}-C bonded component. Recently, sufficient information on the sp{sup 2}-bonded clusters and nanoforms of carbon has helped to identify the importance of sp{sup 2}-C over sp{sup 3}-C, especially in transport properties and encouraged many groups to exploit this knowledge for device design. However, at present, few studies dedicated purely to understanding the transport properties and electronic structure of the family of a-C films as a whole is available. In this paper, we try to identify the key issues in using a-C as an unconventional semiconducting material and try to elaborate on how to overcome these hurdles in order to utilize this extremely versatile material for active device fabrication.
Zhdanov, V. M.; Stepanenko, A. A.
2016-11-01
The previously obtained in (Zhdanov and Stepanenko, 2016) general transport equations for partially ionized reactive plasma are employed for analysis of electron transport properties in molecular and atomic plasmas. We account for both elastic and inelastic interaction channels of electrons with atoms and molecules of plasma and also the processes of electron impact ionization of neutral particles and three-body ion-electron recombination. The system of scalar transport equations for electrons is discussed and the expressions for non-equilibrium corrections to electron ionization and recombination rates and the diagonal part of the electron pressure tensor are derived. Special attention is paid to analysis of electron energy relaxation during collisions with plasma particles having internal degrees of freedom and the expression for the electron coefficient of inelastic energy losses is deduced. We also derive the expressions for electron vector and tensorial transport fluxes and the corresponding transport coefficients for partially ionized reactive plasma, which represent a generalization of the well-known results obtained by Devoto (1967). The results of numerical evaluation of contribution from electron inelastic collisions with neutral particles to electron transport properties are presented for a series of molecular and atomic gases.
Charge carrier transport properties in layer structured hexagonal boron nitride
Directory of Open Access Journals (Sweden)
T. C. Doan
2014-10-01
Full Text Available Due to its large in-plane thermal conductivity, high temperature and chemical stability, large energy band gap (˜ 6.4 eV, hexagonal boron nitride (hBN has emerged as an important material for applications in deep ultraviolet photonic devices. Among the members of the III-nitride material system, hBN is the least studied and understood. The study of the electrical transport properties of hBN is of utmost importance with a view to realizing practical device applications. Wafer-scale hBN epilayers have been successfully synthesized by metal organic chemical deposition and their electrical transport properties have been probed by variable temperature Hall effect measurements. The results demonstrate that undoped hBN is a semiconductor exhibiting weak p-type at high temperatures (> 700 °K. The measured acceptor energy level is about 0.68 eV above the valence band. In contrast to the electrical transport properties of traditional III-nitride wide bandgap semiconductors, the temperature dependence of the hole mobility in hBN can be described by the form of μ ∝ (T/T0−α with α = 3.02, satisfying the two-dimensional (2D carrier transport limit dominated by the polar optical phonon scattering. This behavior is a direct consequence of the fact that hBN is a layer structured material. The optical phonon energy deduced from the temperature dependence of the hole mobility is ħω = 192 meV (or 1546 cm-1, which is consistent with values previously obtained using other techniques. The present results extend our understanding of the charge carrier transport properties beyond the traditional III-nitride semiconductors.
Transport properties of the Fermi hard-sphere system
Energy Technology Data Exchange (ETDEWEB)
Mecca, Angela; Lovato, Alessandro; Benhar, Omar; Polls, Artur
2016-03-01
The transport properties of neutron star matter play an important role in many astrophysical processes. We report the results of a calculation of the shear viscosity and thermal conductivity coefficients of the hard-sphere fermion system of degeneracy ν = 2, that can be regarded as a model of pure neutron matter. Our approach is based on the effective interaction obtained from the formalism of correlated basis functions and the cluster expansion technique. The resulting transport coefficients show a strong sensitivity to the quasiparticle effective mass, reflecting the effect of second-order contributions to the self-energy that are not taken into account in nuclear matter studies available in the literature.
Quantum equilibria for macroscopic systems
Energy Technology Data Exchange (ETDEWEB)
Grib, A [Department of Theoretical Physics and Astronomy, Russian State Pedagogical University, St. Petersburg (Russian Federation); Khrennikov, A [Centre for Mathematical Modelling in Physics and Cognitive Sciences Vaexjoe University (Sweden); Parfionov, G [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation); Starkov, K [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation)
2006-06-30
Nash equilibria are found for some quantum games with particles with spin-1/2 for which two spin projections on different directions in space are measured. Examples of macroscopic games with the same equilibria are given. Mixed strategies for participants of these games are calculated using probability amplitudes according to the rules of quantum mechanics in spite of the macroscopic nature of the game and absence of Planck's constant. A possible role of quantum logical lattices for the existence of macroscopic quantum equilibria is discussed. Some examples for spin-1 cases are also considered.
Feldman, Kathleen; Chan, Edwin; Stafford, Gery; Stafford, Christopher
With the increasing shortage of clean water, efficient purification technologies including membrane separations are becoming critical. The main requirement of reverse osmosis in particular is to maximize water permeability while minimizing salt permeability. Such performance optimization has typically taken place through trial and error approaches. In this work, key salt transport metrics are instead measured in model reverse osmosis membranes using electrochemical impedance spectroscopy (EIS). As shown previously, EIS can provide both the membrane resistance Rm and membrane capacitance Cm, with Rm directly related to salt permeability. The membranes are fabricated in a molecular layer by layer approach, which allows for control over such parameters as thickness, surface and bulk chemistry, and network geometry/connectivity. Rm, and therefore salt permeability, follows the expected trends with thickness and membrane area but shows unusual behavior when the network geometry is systematically varied. By connecting intrinsic material properties such as the salt permeability with macroscopic performance measures we can begin to establish design rules for improving membrane efficiency and facilitate the creation of next-generation separation membranes.
Modeling transport properties of inhomogeneous superconductor-metal composites
Energy Technology Data Exchange (ETDEWEB)
Borroto, A.; Altshuler, E., E-mail: ealtshuler@fisica.uh.cu [Superconductivity Laboratory and “Henri Poincarè” Group of Complex Systems, Physics Faculty-IMRE, University of Havana, 10400 Havana (Cuba); Del Río, L. [Superconductivity Laboratory and “Henri Poincarè” Group of Complex Systems, Physics Faculty-IMRE, University of Havana, 10400 Havana (Cuba); Physics Department, McGill University, Montreal, Quebec H3A 2T8 (Canada); Arronte, M. [BRALAX, S. de RL., Tampico, Tamaulipas (Mexico); Technological Laser Laboratory, IMRE, University of Havana, 10400 Havana (Cuba); Johansen, T. H. [Department of Physics, University of Oslo, P.O. Box 1048 Blindern, 0316 Oslo (Norway); Institute for Superconducting and Electronic Materials, University of Wollongong, Northfields Avenue, Wollongong, NSW 2522 (Australia)
2014-11-17
We propose a model for a superconductor-metal composite that allows to derive intrinsic transport properties of the superconducting phase based on 2D images of its cross section, and a minimal set of parameters. The method is tested experimentally by using, as model composite, a “transversal bridge” made on a Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10+x} (BSCCO)-Ag multi-filamentary tape. It is shown that the approach allows to predict the measured I−〈E〉 curves of the filaments. In addition, one can determine the critical current anisotropy between the longitudinal and transverse directions of the Ag-BSCCO tape, and also of its superconducting filaments separately, which emphasizes the role of the morphology of the composite in the transport properties.
Transport properties of boron nanotubes investigated by ab initio calculation
Institute of Scientific and Technical Information of China (English)
Guo Wei; Hu Yi-Bin; Zhang Yu-Yang; Du Shi-Xuan; Gao Hong-Jun
2009-01-01
We investigate atomic and electronic structures of boron nanotubes (BNTs) by using the density functional theory(DFT). The transport properties of BNTs with different diameters and chiralities are studied by the Keldysh nonequi-librium Green function (NEGF) method. It is found that the cohesive energies and conductances of BNTs decrease as their diameters decrease. It is more difficult to form (N, 0) tubes than (M, M) tubes when the diameters of the two kinds of tubes are comparable. However, the (N, 0) tubes have a higher conductance than the (M, M) tubes. When the BNTs are connected to gold electrodes, the coupling between the BNTs and the electrodes will affect the transport properties of tubes significantly.
1D-transport properties of single superconducting lead nanowires
DEFF Research Database (Denmark)
Michotte, S.; Mátéfi-Tempfli, Stefan; Piraux, L.
2003-01-01
We report on the transport properties of single superconducting lead nanowires grown by an electrodeposition technique, embedded in a nanoporous track-etched polymer membrane. The nanowires are granular, have uniform diameter of ̃40 nm and a very large aspect ratio (̃500). The diameter of the nan......We report on the transport properties of single superconducting lead nanowires grown by an electrodeposition technique, embedded in a nanoporous track-etched polymer membrane. The nanowires are granular, have uniform diameter of ̃40 nm and a very large aspect ratio (̃500). The diameter...... of the nanowire is small enough to ensure a 1D superconducting regime in a wide temperature range below T. The non-zero resistance in the superconducting state and its variation caused by fluctuations of the superconducting order parameter were measured versus temperature, magnetic field, and applied DC current...
Transport properties of anyons in random topological environments
Zatloukal, V.; Lehman, L.; Singh, S.; Pachos, J. K.; Brennen, G. K.
2014-10-01
The quasi-one-dimensional transport of Abelian and non-Abelian anyons is studied in the presence of a random topological background. In particular, we consider the quantum walk of an anyon that braids around islands of randomly filled static anyons of the same type. Two distinct behaviors are identified. We analytically demonstrate that all types of Abelian anyons localize purely due to the statistical phases induced by their random anyonic environment. In contrast, we numerically show that non-Abelian Ising anyons do not localize. This is due to their entanglement with the anyonic environment, which effectively induces dephasing. Our study demonstrates that localization properties strongly depend on nonlocal topological interactions, and it provides a clear distinction in the transport properties of Abelian and non-Abelian anyons.
Stability properties of elementary dynamic models of membrane transport.
Hernández, Julio A
2003-01-01
Living cells are characterized by their capacity to maintain a stable steady state. For instance, cells are able to conserve their volume, internal ionic composition and electrical potential difference across the plasma membrane within values compatible with the overall cell functions. The dynamics of these cellular variables is described by complex integrated models of membrane transport. Some clues for the understanding of the processes involved in global cellular homeostasis may be obtained by the study of the local stability properties of some partial cellular processes. As an example of this approach, I perform, in this study, the neighborhood stability analysis of some elementary integrated models of membrane transport. In essence, the models describe the rate of change of the intracellular concentration of a ligand subject to active and passive transport across the plasma membrane of an ideal cell. The ligand can be ionic or nonionic, and it can affect the cell volume or the plasma membrane potential. The fundamental finding of this study is that, within the physiological range, the steady states are asymptotically stable. This basic property is a necessary consequence of the general forms of the expressions employed to describe the active and passive fluxes of the transported ligand.
Molecular Dynamics Simulation on thermodynamic Properties and Transport Coefficients
Institute of Scientific and Technical Information of China (English)
D.X.Xiong
1996-01-01
Moecular dynamics simulation (MDS) is used to study the thermodynamic properties and transport coefficients of an argon system with Lennend-Jones potential.The results on the velocity distribution,mean free path,mean collison time,specific heat and self0diffusion coefficient agree well with the existing theoretical /experimental data,It shows that molecular dynamics method is another bridge to connect microworld and macreoworld.
Electronic transport properties of metallic single-walled carbon nanotubes
Institute of Scientific and Technical Information of China (English)
曹觉先; 颜晓红; 肖杨; 丁建文
2003-01-01
We have calculated the differential conductance of metallic carbon nanotubes by the scatter matrix method. It is found that the differential conductance of metallic nanotube-based devices oscillates as a function of the bias voltage between the two leads and the gate voltage. Oscillation period T is directly proportional to the reciprocal of nanotube length. In addition, we found that electronic transport properties are sensitive to variation of the length of the nanotube.
Transport properties of CNT/oligosilane/CNT heterojunctions
Energy Technology Data Exchange (ETDEWEB)
Yu, J. [College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150080 (China); Zhang, G.L., E-mail: zglhrb@163.com [College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150080 (China); Shang, Y.; Wang, K.D.; Zhang, H.; Sun, M.; Liu, B.; Zeng, T. [College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150080 (China)
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.
Active Polar Two-Fluid Macroscopic Dynamics
Pleiner, Harald; Svensek, Daniel; Brand, Helmut R.
2014-03-01
We study the dynamics of systems with a polar dynamic preferred direction. Examples include the pattern-forming growth of bacteria (in a solvent, shoals of fish (moving in water currents), flocks of birds and migrating insects (flying in windy air). Because the preferred direction only exists dynamically, but not statically, the macroscopic variable of choice is the macroscopic velocity associated with the motion of the active units. We derive the macroscopic equations for such a system and discuss novel static, reversible and irreversible cross-couplings connected to this second velocity. We find a normal mode structure quite different compared to the static descriptions, as well as linear couplings between (active) flow and e.g. densities and concentrations due to the genuine two-fluid transport derivatives. On the other hand, we get, quite similar to the static case, a direct linear relation between the stress tensor and the structure tensor. This prominent ``active'' term is responsible for many active effects, meaning that our approach can describe those effects as well. In addition, we also deal with explicitly chiral systems, which are important for many active systems. In particular, we find an active flow-induced heat current specific for the dynamic chiral polar order.
Macroscopic Invisibility Cloaking of Visible Light
Chen, Xianzhong; Zhang, Jingjing; Jiang, Kyle; Pendry, John B; Zhang, Shuang
2010-01-01
Invisibility cloaks of light, which used to be confined to the imagination, have now been turned into a scientific reality, thanks to the enabling theoretical tools of transformation optics and conformal mapping. Inspired by those theoretical works, the experimental realisation of electromagnetic invisibility cloaks has been reported at various electromagnetic frequencies. All the invisibility cloaks demonstrated thus far, however, have relied on nano- or micro-fabricated artificial composite materials with spatially varying electromagnetic properties, which limit the size of the cloaked region to a few wavelengths. Here we report realisation of a macroscopic volumetric invisibility cloak constructed from natural birefringent crystals. The cloak operates at visible frequencies and is capable of hiding three-dimensional objects of the scale of centimetres and millimetres. Our work opens avenues for future applications with macroscopic cloaking devices.
Thermal Transport Properties of Dry Spun Carbon Nanotube Sheets
Directory of Open Access Journals (Sweden)
Heath E. Misak
2016-01-01
Full Text Available The thermal properties of carbon nanotube- (CNT- sheet were explored and compared to copper in this study. The CNT-sheet was made from dry spinning CNTs into a nonwoven sheet. This nonwoven CNT-sheet has anisotropic properties in in-plane and out-of-plane directions. The in-plane direction has much higher thermal conductivity than the out-of-plane direction. The in-plane thermal conductivity was found by thermal flash analysis, and the out-of-plane thermal conductivity was found by a hot disk method. The thermal irradiative properties were examined and compared to thermal transport theory. The CNT-sheet was heated in the vacuum and the temperature was measured with an IR Camera. The heat flux of CNT-sheet was compared to that of copper, and it was found that the CNT-sheet has significantly higher specific heat transfer properties compared to those of copper. CNT-sheet is a potential candidate to replace copper in thermal transport applications where weight is a primary concern such as in the automobile, aircraft, and space industries.
Quantum transport in carbon nanotubes
Jarillo-Herrero, P.D.
2005-01-01
Electronic transport through nanostructures can be very different from trans- port in macroscopic conductors, especially at low temperatures. Carbon na- notubes are tiny cylinders made of carbon atoms. Their remarkable electronic and mechanical properties, together with their small size (a few nm in
Red cell properties after different modes of blood transportation
Directory of Open Access Journals (Sweden)
Asya Makhro
2016-07-01
Full Text Available Transportation of blood samples is unavoidable for assessment of specific parameters in blood of patients with rare anemias, blood doping testing or for research purposes. Despite the awareness that shipment may substantially alter multiple parameters, no study of that extend has been performed to assess these changes and optimize shipment conditions to reduce transportation-related artifacts. Here we investigate the changes in multiple parameters in blood of healthy donors over 72 hours of simulated shipment conditions. Three different anticoagulants (K3EDTA, Sodium Heparin and citrate-based CPDA for two temperatures (4oC and room temperature were tested to define the optimal transportation conditions. Parameters measured cover common cytology and biochemistry parameters (complete blood count, hematocrit, morphological examination, red blood cell (RBC volume, ion content and density, membrane properties and stability (hemolysis, osmotic fragility, membrane heat stability, patch-clamp investigations and formation of micro vesicles, Ca2+ handling, RBC metabolism, activity of numerous enzymes and O2 transport capacity. Our findings indicate that individual sets of parameter may require different shipment settings (anticoagulants, temperature. Most of the parameters except for ion (Na+, K+, Ca2+ handling and, possibly, reticulocytes counts, tend to favor transportation at 4oC. Whereas plasma and intraerythrocytic Ca2+ cannot be accurately measured in the presence of chelators such as citrate and EDTA, majority of Ca2+-dependent parameters are stabilized in CPDA samples. Even in blood samples from healthy donors transported using optimized shipment protocol the majority of parameters were stable within 24 hours, the condition that may not hold for the samples of patients with rare anemias. This implies for the as short as possible shipping using fast courier services to the closest expert laboratory at reach. Mobile laboratories or the travel of the
Influence of biofilms on transport properties in porous media
Davit, Y.
2015-12-01
Microbial activity and biofilm growth in porous media can drastically modify transport properties such as permeability, longitudinal and transverse dispersion or effective reaction rates. Understanding these effects has proven to be a considerable challenge. Advances in this field have been hindered by the difficulty of modeling and visualizing these multi-phase non-linear effects across a broad range of spatial and temporal scales. To address these issues, we are developing a strategy that combines imaging techniques based on x-ray micro-tomography with homogenization of pore-scale transport equations. Here, we review recent progress in x-ray imaging of biofilms in porous media, with a particular focus on the contrast agents that are used to differentiate between the fluid and biofilm phases. We further show how the 3D distribution of the different phases can be used to extract specific information about the biofilm and how effective properties can be calculated via the resolution of closure problems. These closure problems are obtained using the method of volume averaging and must be adapted to the problem of interest. In hydrological systems, we show that a generic formulation for reactive solute transport is based on a domain decomposition approach at the micro-scale yielding macro-scale models reminiscent of multi-rate mass transfer approaches.
Transport properties of the rough hard sphere fluid.
Kravchenko, Olga; Thachuk, Mark
2012-01-28
Results are presented of a systematic study of the transport properties of the rough hard sphere fluid. The rough hard sphere fluid is a simple model consisting of spherical particles that exchange linear and angular momenta, and energy upon collision. This allows a study of the sole effect of particle rotation upon fluid properties. Molecular dynamics simulations have been used to conduct extensive benchmark calculations of self-diffusion, shear and bulk viscosity, and thermal conductivity coefficients. As well, the validity of several kinetic theory equations have been examined at various levels of approximation as a function of density and translational-rotational coupling. In particular, expressions from Enskog theory using different numbers of basis sets in the representation of the distribution function were tested. Generally Enskog theory performs well at low density but deviates at larger densities, as expected. The dependence of these expressions upon translational-rotational coupling was also examined. Interestingly, even at low densities, the agreement with simulation results was sometimes not even qualitatively correct. Compared with smooth hard sphere behaviour, the transport coefficients can change significantly due to translational-rotational coupling and this effect becomes stronger the greater the coupling. Overall, the rough hard sphere fluid provides an excellent model for understanding the effects of translational-rotational coupling upon transport coefficients.
Geometry dependent transport properties of undoped InAs nanowires
Energy Technology Data Exchange (ETDEWEB)
Guenel, H. Yusuf; Bloemers, Christian; Sladek, Kamil; Penz, Andreas; Hardtdegen, Hilde; Lenk, Steffi; Schubert, Juergen; Schaepers, Thomas; Gruetzmacher, Detlev [Institute of Bio- and Nanosystems (IBN-1) and JARA-Fundamentals of Future Information Technology, Research Centre Juelich GmbH, 52425 Juelich (Germany); Luysberg, Martina [Institute of Solid State Research and Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, Forchungszentrum Juelich, 52425 Juelich (Germany)
2010-07-01
In recent time nanowire (NW) structures attracted much attention, for electronics, optoelectronics and fundamental quantum properties. On account of different application purposes basic transport properties are crucially important at room temperature as well as low temperatures. In this respect InAs NWs are particularly important due to the low band gap and high carrier concentration. We characterized the basic transport parameters of undoped InAs NWs at room temperature, which were grown on GaAs(001) substrate by MOVPE without catalyst. The NWs that we used in this work had diameters ranging from 25 nm to 200 nm and lengths up to 3.5 {mu}m. Basic transport parameters, such as carrier concentration and mobility, were determined by using two- and four-terminal measurement configuration. The carrier concentration could be controlled by a SiO{sub 2} -isolated back-gate structure. By analyzing the transfer characteristics of the NW FET, we observed very good gate controllability.
Morphologic and transport properties of natural organic floc
Larsen, L.G.; Harvey, J.W.; Crimaldi, J.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. Copyright 2009 by the American Geophysical Union.
Structural and robustness properties of smart-city transportation networks
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).
Low temperature carrier transport properties in isotopically controlled germanium
Energy Technology Data Exchange (ETDEWEB)
Itoh, K.
1994-12-01
Investigations of electronic and optical properties of semiconductors often require specimens with extremely homogeneous dopant distributions and precisely controlled net-carrier concentrations and compensation ratios. The previous difficulties in fabricating such samples are overcome as reported in this thesis by growing high-purity Ge single crystals of controlled {sup 75}Ge and {sup 70}Ge isotopic compositions, and doping these crystals by the neutron transmutation doping (NTD) technique. The resulting net-impurity concentrations and the compensation ratios are precisely determined by the thermal neutron fluence and the [{sup 74}Ge]/[{sup 70}Ge] ratios of the starting Ge materials, respectively. This method also guarantees unprecedented doping uniformity. Using such samples the authors have conducted four types of electron (hole) transport studies probing the nature of (1) free carrier scattering by neutral impurities, (2) free carrier scattering by ionized impurities, (3) low temperature hopping conduction, and (4) free carrier transport in samples close to the metal-insulator transition.
Transport properties of zigzag graphene nanoribbon decorated with copper clusters
Energy Technology Data Exchange (ETDEWEB)
Berahman, M.; Sheikhi, M. H., E-mail: msheikhi@shirazu.ac.ir [School of Electrical and Computer Eng, Shiraz University, Shiraz (Iran, Islamic Republic of); Nanotechnology Research Institute, Shiraz University, Shiraz (Iran, Islamic Republic of)
2014-09-07
Using non-equilibrium green function with density functional theory, the present study investigates the transport properties of decorated zigzag graphene nanoribbon with a copper cluster. We have represented the decoration of zigzag graphene nanoribbon with single copper atom and cluster containing two and three copper atoms. In all the cases, copper atoms tend to occupy the edge state. In addition, we have shown that copper can alter the current-voltage characteristic of zigzag graphene nanoribbon and create new fluctuations and negative differential resistance. These alternations are made due to discontinuity in the combination of orbitals along the graphene nanoribbon. Decoration alters these discontinuities and creates more visible fluctuations. However, in low bias voltages, the changes are similar in all the cases. The study demonstrates that in the decorated zigzag graphene nanoribbon, the edge states are the main states for transporting electron from one electrode to another.
Scaling macroscopic aquatic locomotion
Gazzola, Mattia; Argentina, Mederic; Mahadevan, Lakshminarayanan
2014-11-01
Inertial aquatic swimmers that use undulatory gaits range in length L from a few millimeters to 30 meters, across a wide array of biological taxa. Using elementary hydrodynamic arguments, we uncover a unifying mechanistic principle characterizing their locomotion by deriving a scaling relation that links swimming speed U to body kinematics (tail beat amplitude A and frequency ω) and fluid properties (kinematic viscosity ν). This principle can be simply couched as the power law Re ~ Swα , where Re = UL / ν >> 1 and Sw = ωAL / ν , with α = 4 / 3 for laminar flows, and α = 1 for turbulent flows. Existing data from over 1000 measurements on fish, amphibians, larvae, reptiles, mammals and birds, as well as direct numerical simulations are consistent with our scaling. We interpret our results as the consequence of the convergence of aquatic gaits to the performance limits imposed by hydrodynamics.
Electronic Transport Properties of Doped C28 Fullerene
Directory of Open Access Journals (Sweden)
Akshu Pahuja
2014-01-01
Full Text Available Endohedral doping of small fullerenes like C28 affects their electronic structure and increases their stability. The transport properties of Li@C28 sandwiched between two gold surfaces have been calculated using first-principles density functional theory and nonequilibrium Green’s function formalism. The transmission curves, IV characteristics, and molecular projected self-consistent Hamiltonian eigenstates of both pristine and doped molecule are computed. The current across the junction is found to decrease upon Li encapsulation, which can be attributed to change in alignment of molecular energy levels with bias voltage.
Thermodynamic and transport properties of underdoped cuprates from ARPES data
Energy Technology Data Exchange (ETDEWEB)
Yoshida, T.; Zhou, X.J.; Yagi, H.; Lu, D.H.; Tanaka, K.; Fujimori, A.; Hussain, Z.; Shen, Z.-X.; Kakeshita, T.; Eisaki, H.; Uchida, S.; Segawa, Kouji; Lavrov, A.N.; Ando, Yoichi
2004-09-15
The relationship between photoemission spectra of high-T{sub c} cuprates and their thermodynamic and transport properties are discussed. The doping dependence of the expected quasi-particle density at the Fermi level (E{sub F}) are compared with the electronic specific heat coefficient {gamma} and that of the spectral weight at E{sub F} with the in-plane and out-of-plane superfluid density. We have estimated the electrical resistivity of underdoped cuprates from the momentum distribution curve (MDC) at E{sub F} in the nodal direction. The temperature dependence of the MDC width is also consistent with that of the electrical resistivity.
Transport properties of a ladder with two random dimer chains
Institute of Scientific and Technical Information of China (English)
Hu Donng-Sheng; Zhu Chen-Ping; Zhang Yong-Mei
2011-01-01
We investigate the transport properties of a ladder with two random dimer (RD) chains. It is found that there are two extended states in the ladder with identical RD chains and a critical state regarded as an extended state in the ladder with pairing RD chains. Such a critical state is caused by the chiral symmetry. The ladder with identical RD chains can be decoupled into two isolated RD chains and the ladder with pairing RD chains can not. The analytic expressions of the extended states are presented for the ladder with identical RD chains.
Transport properties in periodically modulated zigzag silicene nanoribbon
Wang, Xiao-Shuang; Shen, Man; An, Xing-Tao; Liu, Jian-Jun
2016-04-01
We study theoretically the electronic transport properties of zigzag silicene nanoribbon superlattices subject to a periodic electric field perpendicular to the surface of silicene. Our results show that the conductivity of the system depends on the superlattice structural parameters and show effects analogous to those found with two-dimensional semiconductor superlattices. For a superlattice with Nb barriers, a series of resonant peaks, each of which is split into (Nb - 1) subpeaks, and transmission blockade regions appear in the conductance spectrum, which indicates the formation of minibands and minigaps. These silicene-based quantum structures can provide concepts for the design nanodevices.
Transport properties of Fibonacci heterostructures: a nonparabolic approach
Palomino-Ovando, M.; Cocoletzi, G. H.
1998-07-01
A fourth order hamiltonian is used to explore transport properties of semiconductor Fibonacci heterostructures. The tunneling current and time delay are obtained for different Fibonacci sequences constructed withGaAsandAlxGa1 - xAs. Energy minibands are calculated to study the fractal dimension and critical electronic states in quasi-periodic arrays. Results show that nonparabolic corrections produce changes in the tunneling current, time delay and fractal dimension, and a low voltage shift of the current peaks compared with the parabolic theory. The electronic states preserve their critical nature in the presence of nonparabolic effects.
Macroscopic-microscopic mass models
Nix, J R; Nix, J Rayford; Moller, Peter
1995-01-01
We discuss recent developments in macroscopic-microscopic mass models, including the 1992 finite-range droplet model, the 1992 extended-Thomas-Fermi Strutinsky-integral model, and the 1994 Thomas-Fermi model, with particular emphasis on how well they extrapolate to new regions of nuclei. We also address what recent developments in macroscopic-microscopic mass models are teaching us about such physically relevant issues as the nuclear curvature energy, a new congruence energy arising from a greater-than-average overlap of neutron and proton wave functions, the nuclear incompressibility coefficient, and the Coulomb redistribution energy arising from a central density depression. We conclude with a brief discussion of the recently discovered rock of metastable superheavy nuclei near 272:110 that had been correctly predicted by macroscopic-microscopic models, along with a possible new tack for reaching an island near 290:110 beyond our present horizon.
Transport and magnetic properties of CMR manganites with antidot arrays
Zhang, Kai; Du, Kai; Niu, Jiebin; Wei, Wengang; Chen, Jinjie; Yin, Lifeng; Shen, Jian
2014-03-01
We fabricated and characterized a series of manganites thin film samples with different densities of antidots. With increasing antidot density, the samples show higher MIT temperature and lower resistivity under zero and low magnetic fields. These differences become smaller and finally vanished when the magnetic field is large enough to melt the charge ordered phase in the system, which is expected in our theoretical explanations. We believe that emerging edge states at the ring of antidotes play a significant role for observed metal-insulator transition and electrical transport properties, which are of great importance of real storage and sensor device design. Magnetic property measurements and theoretical simulation also support the conclusion. These results open up new ways to control and tune the strongly correlated oxides without introduce any new material or field.
Electromagnetic and transport properties of QGP within PLSM approach
Tawfik, Abdel Nasser
2016-01-01
In order to study the response of the quantum chromodynamic matter to finite electromagnetic fields, we utilize the Polyakov linear - sigma model (PLSM) in mean-field approximation. Due to participants' momentum imbalance and off-center relativistic motion of the spectators' electric charges, localized, short-lived, huge electromagnetic fields are to be generated in the relativistic heavy-ion collisions. We report on various electromagnetic and transport properties of the new-state-of matter; the quark-gluon plasma (QGP) within the QCD-like approach, PLSM. We find an excellent agreement between our PLSM calculations and various recent lattice QCD simulations and notice that the magnetization and the magnetic susceptibility and the relative permeability obviously increase in the QGP phase. We predict that increasing the magnetic field remarkable decreases the viscosity, especially in hadron phase. while in QGP phase, the viscous properties seem not being affected with.
Elastic properties and electron transport in InAs nanowires
Energy Technology Data Exchange (ETDEWEB)
Migunov, Vadim
2013-02-22
The electron transport and elastic properties of InAs nanowires grown by chemical vapor deposition on InAs (001) substrate were studied experimentally, in-situ in a transmission electron microscope (TEM). A TEM holder allowing the measurement of a nanoforce while simultaneous imaging nanowire bending was used. Diffraction images from local areas of the wire were recorded to correlate elastic properties with the atomic structure of the nanowires. Another TEM holder allowing the application of electrical bias between the nanowire and an apex of a metallic needle while simultaneous imaging the nanowire in TEM or performing electron holography was used to detect mechanical vibrations in mechanical study or holographical observation of the nanowire inner potential in the electron transport studies. The combination of the scanning probe methods with TEM allows to correlate the measured electric and elastic properties of the nanowires with direct identification of their atomic structure. It was found that the nanowires have different atomic structures and different stacking fault defect densities that impacts critically on the elastic properties and electric transport. The unique methods, that were applied in this work, allowed to obtain dependencies of resistivity and Young's modulus of left angle 111 right angle -oriented InAs nanowires on defect density and diameter. It was found that the higher is the defect density the higher are the resistivity and the Young's modulus. Regarding the resistivity, it was deduced that the stacking faults increase the scattering of the electrons in the nanowire. These findings are consistent with the literature, however, the effect described by the other groups is not so pronounced. This difference can be attributed to the significant incompleteness of the physical models used for the data analysis. Regarding the elastic modulus, there are several mechanisms affecting the elasticity of the nanowires discussed in the thesis. It
Electrical transport properties of manganite powders under pressure
Energy Technology Data Exchange (ETDEWEB)
Rodriguez, M.G. [Laboratorio de Bajas Temperaturas, Departamento de Fisica, FCEyN, UBA, and IFIBA (CONICET), Ciudad Universitaria, (C1428EHA) Buenos Aires (Argentina); Leyva, A.G. [Gerencia de Investigacion y Aplicaciones, CAC, Comision Nacional de Energia Atomica, Gral Paz 1499, 1650 San Martin, Buenos Aires (Argentina); Acha, C., E-mail: acha@df.uba.ar [Laboratorio de Bajas Temperaturas, Departamento de Fisica, FCEyN, UBA, and IFIBA (CONICET), Ciudad Universitaria, (C1428EHA) Buenos Aires (Argentina)
2012-08-15
We have measured the electrical resistance of micrometric to nanometric powders of the La{sub 5/8-y}Pr{sub y}Ca{sub 3/8}MnO{sub 3} (LPCMO with y=0.3) manganite for hydrostatic pressures up to 4 kbar. By applying different final thermal treatments to samples synthesized by a microwave assisted denitration process, we obtained two particular grain characteristic dimensions (40 nm and 1000 nm) which allowed us to analyze the grain size sensitivity of the electrical conduction properties of both the metal electrode interface with manganite (Pt/LPCMO) and the intrinsic intergranular interfaces formed by the LPCMO powder, conglomerate under the only effect of external pressure. We also analyzed the effects of pressure on the phase diagram of these powders. Our results indicate that different magnetic phases coexist at low temperatures and that the electrical transport properties are related to the intrinsic interfaces, as we observe evidences of a granular behavior and an electronic transport dominated by the Space Charge limited Current mechanism.
Topological phases and transport properties of screened interacting quantum wires
Xu, Hengyi; Xiong, Ye; Wang, Jun
2016-10-01
We study theoretically the effects of long-range and on-site Coulomb interactions on the topological phases and transport properties of spin-orbit-coupled quasi-one-dimensional quantum wires imposed on a s-wave superconductor. The distributions of the electrostatic potential and charge density are calculated self-consistently within the Hartree approximation. Due to the finite width of the wires and charge repulsion, the potential and density distribute inhomogeneously in the transverse direction and tend to accumulate along the lateral edges where the hard-wall confinement is assumed. This result has profound effects on the topological phases and the differential conductance of the interacting quantum wires and their hybrid junctions with superconductors. Coulomb interactions renormalize the gate voltage and alter the topological phases strongly by enhancing the topological regimes and producing jagged boundaries. Moreover, the multicritical points connecting different topological phases are modified remarkably in striking contrast to the predictions of the two-band model. We further suggest the possible non-magnetic topological phase transitions manipulated externally with the aid of long-range interactions. Finally, the transport properties of normal-superconductor junctions are further examined, in particular, the impacts of Coulomb interactions on the zero-bias peaks related to the Majorana fermions and near zero-energy peaks.
TASK 7 DEMONSTRATION OF THAMES FOR MICROSTRUCTURE AND TRANSPORT PROPERTIES
Energy Technology Data Exchange (ETDEWEB)
Langton, C.; Bullard, J.; Stutzman, P.; Snyder, K.; Garboczi, E.
2010-03-29
The goal of the Cementitious Barriers Partnership (CBP) is to develop a reasonable and realible set of tools to reduce the uncertainty in predicting the structural, hydraulic and chemical performance of cement barriers used in nuclear applications that are exposed to dynamic environmental conditions over extended time frames. One of these tools, the responsibility of NIST, is THAMES (Thermodynamic Hydration and Microstructure Evolution Simulator), which is being developed to describe cementitious binder microstructures and calculate important engineering properties during hydration and degradation. THAMES is designed to be a 'micro-probe', used to evaluate changes in microstructure and properties occurring over time because of hydration or degradation reactions in a volume of about 0.001 mm{sup 3}. It will be used to map out microstructural and property changes across reaction fronts, for example, with spatial resolution adequate to be input into other models (e.g., STADIUM{reg_sign}, LeachSX{trademark}) in the integrated CBP package. THAMES leverages thermodynamic predictions of equilibrium phase assemblages in aqueous geochemical systems to estimate 3-D virtual microstructures of a cementitious binder at different times during the hydration process or potentially during degradation phenomena. These virtual microstructures can then be used to calculate important engineering properties of a concrete made from that binder at prescribed times. In this way, the THAMES model provides a way to calculate the time evolution of important material properties such as elastic stiffness, compressive strength, diffusivity, and permeability. Without this model, there would be no way to update microstructure and properties for the barrier materials considered as they are exposed to the environment, thus greatly increasing the uncertainty of long-term transport predictions. This Task 7 report demonstrates the current capabilities of THAMES. At the start of the CBP
Efficient calculation of dissipative quantum transport properties in semiconductor nanostructures
Energy Technology Data Exchange (ETDEWEB)
Greck, Peter
2012-11-26
We present a novel quantum transport method that follows the non-equilibrium Green's function (NEGF) framework but side steps any self-consistent calculation of lesser self-energies by replacing them by a quasi-equilibrium expression. We termed this method the multi-scattering Buettiker-Probe (MSB) method. It generalizes the so-called Buettiker-Probe model but takes into account all relevant individual scattering mechanisms. It is orders of magnitude more efficient than a fully selfconsistent non-equilibrium Green's function calculation for realistic devices, yet accurately reproduces the results of the latter method as well as experimental data. This method is fairly easy to implement and opens the path towards realistic three-dimensional quantum transport calculations. In this work, we review the fundamentals of the non-equilibrium Green's function formalism for quantum transport calculations. Then, we introduce our novel MSB method after briefly reviewing the original Buettiker-Probe model. Finally, we compare the results of the MSB method to NEGF calculations as well as to experimental data. In particular, we calculate quantum transport properties of quantum cascade lasers in the terahertz (THz) and the mid-infrared (MIR) spectral domain. With a device optimization algorithm based upon the MSB method, we propose a novel THz quantum cascade laser design. It uses a two-well period with alternating barrier heights and complete carrier thermalization for the majority of the carriers within each period. We predict THz laser operation for temperatures up to 250 K implying a new temperature record.
Rainbow correlation imaging with macroscopic twin beam
Allevi, Alessia; Bondani, Maria
2017-06-01
We present the implementation of a correlation-imaging protocol that exploits both the spatial and spectral correlations of macroscopic twin-beam states generated by parametric downconversion. In particular, the spectral resolution of an imaging spectrometer coupled to an EMCCD camera is used in a proof-of-principle experiment to encrypt and decrypt a simple code to be transmitted between two parties. In order to optimize the trade-off between visibility and resolution, we provide the characterization of the correlation images as a function of the spatio-spectral properties of twin beams generated at different pump power values.
Fingerprint Feature Extraction Based on Macroscopic Curvature
Institute of Scientific and Technical Information of China (English)
Zhang Xiong; He Gui-ming; Zhang Yun
2003-01-01
In the Automatic Fingerprint Identification System (AFIS), extracting the feature of fingerprint is very important. The local curvature of ridges of fingerprint is irregular, so people have the barrier to effectively extract the fingerprint curve features to describe fingerprint. This article proposes a novel algorithm; it embraces information of few nearby fingerprint ridges to extract a new characteristic which can describe the curvature feature of fingerprint. Experimental results show the algorithm is feasible, and the characteristics extracted by it can clearly show the inner macroscopic curve properties of fingerprint. The result also shows that this kind of characteristic is robust to noise and pollution.
Fingerprint Feature Extraction Based on Macroscopic Curvature
Institute of Scientific and Technical Information of China (English)
Zhang; Xiong; He; Gui-Ming; 等
2003-01-01
In the Automatic Fingerprint Identification System(AFIS), extracting the feature of fingerprint is very important. The local curvature of ridges of fingerprint is irregular, so people have the barrier to effectively extract the fingerprint curve features to describe fingerprint. This article proposes a novel algorithm; it embraces information of few nearby fingerprint ridges to extract a new characterstic which can describe the curvature feature of fingerprint. Experimental results show the algorithm is feasible, and the characteristics extracted by it can clearly show the inner macroscopic curve properties of fingerprint. The result also shows that this kind of characteristic is robust to noise and pollution.
Makuch, Karol
2015-01-01
In 1983 Felderhof, Ford and Cohen gave microscopic explanation of the famous Clausius-Mossotti formula for the dielectric constant of nonpolar dielectric. They based their considerations on the cluster expansion of the dielectric constant, which relates this macroscopic property with the microscopic characteristics of the system. In this article, we analyze the cluster expansion of Felderhof, Ford and Cohen by performing its resummation (renormalization). Our analysis leads to the ring expans...
Interface disorder and transport properties in HTC/CMR superlattices
Energy Technology Data Exchange (ETDEWEB)
Haberkorn, N.; Guimpel, J.; Sirena, M.; Steren, L.B.; Campillo, G.; Saldarriaga, W.; Gomez, M.E
2004-08-01
The physical properties of superlattices are affected by interface disorder, like roughness and interdiffusion. X-ray diffraction allows its measurement through modeling and structure refinement. The high-T{sub c} RBa{sub 2}Cu{sub 3}O{sub 7} (RBCO) and colossal magnetoresistance La{sub x}A{sub 1-x}MnO{sub 3} (LAMO) perovskites are interesting superlattice partners given their similar lattice parameters and because the combination of magnetic and superconducting properties is interesting for both basic and applied research. We have investigated the structural and transport properties of YBCO/La{sub 2/3}Ca{sub 1/3}MnO{sub 3} and GdBCO/La{sub 0.6}Sr{sub 0.04}MnO{sub 3} superlattices grown by sputtering on (1 0 0)MgO. We find a roughness of 1 RBCO unit cell and a 30% interdiffusion in the same length from the interfaces for all samples. The superconducting behavior is found strongly dependent on the LAMO layer thickness.
Electrical transport properties of single-layer WS2.
Ovchinnikov, Dmitry; Allain, Adrien; Huang, Ying-Sheng; Dumcenco, Dumitru; Kis, Andras
2014-08-26
We report on the fabrication of field-effect transistors based on single layers and bilayers of the semiconductor WS2 and the investigation of their electronic transport properties. We find that the doping level strongly depends on the device environment and that long in situ annealing drastically improves the contact transparency, allowing four-terminal measurements to be performed and the pristine properties of the material to be recovered. Our devices show n-type behavior with a high room-temperature on/off current ratio of ∼10(6). They show clear metallic behavior at high charge carrier densities and mobilities as high as ∼140 cm(2)/(V s) at low temperatures (above 300 cm(2)/(V s) in the case of bilayers). In the insulating regime, the devices exhibit variable-range hopping, with a localization length of about 2 nm that starts to increase as the Fermi level enters the conduction band. The promising electronic properties of WS2, comparable to those of single-layer MoS2 and WSe2, together with its strong spin-orbit coupling, make it interesting for future applications in electronic, optical, and valleytronic devices.
Directory of Open Access Journals (Sweden)
Samujlov E.
2013-04-01
Full Text Available In case of system with chemical reaction the most important properties are heat conductivity and heat capacity. In this work we have considered the equation for estimate the component of these properties caused by chemical reaction and ionization processes. We have evaluated the contribution of this part in heat conductivity and heat capacity too. At the high temperatures contribution in heat conductivity from ionization begins to play an important role. We have created a model, which describe partial and full ionization of gases and gas mixtures. In addition, in this work we present the comparison of our result with experimental data and data from numerical simulation. We was used the data about transport properties of middle composition of Russian coals and the data of thermophysical properties of natural gas for comparison.
Spin transport properties in double quantum rings connected in series*
Institute of Scientific and Technical Information of China (English)
Du Jian; Wang Suxin; Pan Jianghong
2011-01-01
A new model of metal/semiconductor/metal double-quantum-ring connected in series is proposed and the transport properties in this model are theoretically studied. The results imply that the transmission coefficient shows periodic variations with increasing semiconductor ring size. The effects of the magnetic field and Rashba spin-orbit interaction on the transmission coefficient for two kinds of spin state electrons are different. The number of the transmission coefficient peaks is related to the length ratio between the upper ann and the half circumference of the ring. In addition, the transmission coefficient shows oscillation behavior with enhanced external magnetic field, and the corresponding average value is related to the two leads' relative position.
Electronic transport properties of a quinone-based molecular switch
Zheng, Ya-Peng; Bian, Bao-An; Yuan, Pei-Pei
2016-09-01
In this paper, we carried out first-principles calculations based on density functional theory and non-equilibrium Green's function to investigate the electronic transport properties of a quinone-based molecule sandwiched between two Au electrodes. The molecular switch can be reversibly switched between the reduced hydroquinone (HQ) and oxidized quinone (Q) states via redox reactions. The switching behavior of two forms is analyzed through their I- V curves, transmission spectra and molecular projected self-consistent Hamiltonian at zero bias. Then we discuss the transmission spectra of the HQ and Q forms at different bias, and explain the oscillation of current according to the transmission eigenstates of LUMO energy level for Q form. The results suggest that this kind of a quinone-based molecule is usable as one of the good candidates for redox-controlled molecular switches.
Direct method for calculating temperature-dependent transport properties
Liu, Yi; Yuan, Zhe; Wesselink, R. J. H.; Starikov, Anton A.; van Schilfgaarde, Mark; Kelly, Paul J.
2015-06-01
We show how temperature-induced disorder can be combined in a direct way with first-principles scattering theory to study diffusive transport in real materials. Excellent (good) agreement with experiment is found for the resistivity of Cu, Pd, Pt (and Fe) when lattice (and spin) disorder are calculated from first principles. For Fe, the agreement with experiment is limited by how well the magnetization (of itinerant ferromagnets) can be calculated as a function of temperature. By introducing a simple Debye-like model of spin disorder parameterized to reproduce the experimental magnetization, the temperature dependence of the average resistivity, the anisotropic magnetoresistance, and the spin polarization of a Ni80Fe20 alloy are calculated and found to be in good agreement with existing data. Extension of the method to complex, inhomogeneous materials as well as to the calculation of other finite-temperature physical properties within the adiabatic approximation is straightforward.
Symmetry analysis of transport properties in helical superconductor junctions
Cheng, Qiang; Zhang, Yinhan; Zhang, Kunhua; Jin, Biao; Zhang, Changlian
2017-03-01
We study the discrete symmetries satisfied by helical p-wave superconductors with the d-vectors {{k}x}\\hat{x}+/- {{k}y}\\hat{y} or {{k}y}\\hat{x}+/- {{k}x}\\hat{y} and the transformations brought by symmetry operations to ferromagnet and spin-singlet superconductors, which show intimate associations with the transport properties in heterojunctions, including helical superconductors. In particular, the partial symmetries of the Hamiltonian under spin-rotation and gauge-rotation operations are responsible for the novel invariances of the conductance in tunnel junctions and the new selection rules for the lowest current and peculiar phase diagrams in Josephson junctions, which were reported recently. The symmetries of constructed free energies for Josephson junctions are also analyzed, and are consistent with the results from the Hamiltonian.
Electronic transport properties of carbon nanotube metal-semiconductor-metal
Directory of Open Access Journals (Sweden)
F Khoeini
2008-07-01
Full Text Available In this work, we study electronic transport properties of a quasi-one dimensional pure semi-conducting Zigzag Carbon Nanotube (CNT attached to semi-infinite clean metallic Zigzag CNT leads, taking into account the influence of topological defect in junctions. This structure may behave like a field effect transistor. The calculations are based on the tight-binding model and Green’s function method, in which the local density of states(LDOS in the metallic section to semi-conducting section, and muli-channel conductance of the system are calculated in the coherent and linear response regime, numerically. Also we have introduced a circuit model for the system and investigated its current. The theoretical results obtained, can be a base, for developments in designing nano-electronic devices.
Magnetic and transport properties of discontinuous metal-oxides multilayers
Energy Technology Data Exchange (ETDEWEB)
Dinia, A.; Schmerber, G.; Ulhaq, C.; El Bahraoui, T
2003-02-15
We report on structural, magnetic and transport properties of Al{sub 2}O{sub 3}/CoFe discontinuous multilayers deposited by RF sputtering at room temperature on silicon substrate. Transmission electron microscopy observations show that these multilayers consist of discontinuous layers of CoFe particles embedded in an insulating Al{sub 2}O{sub 3} matrix. This is further supported by magnetization measurements showing the presence at room temperature of both superparamagnetic and ferromagnetic components. The current-in-plane resistivity of the discontinuous multilayers has shown a negative magnetoresistance due to a spin-dependent tunneling between the CoFe magnetic particles through the insulating Al{sub 2}O{sub 3} barrier. The magnetoresistance response gives rise to two spin-dependent tunneling contributions. A contribution at small applied fields due to ferromagnetic particles and a contribution at larger magnetic applied fields due to a superparamagnetic particles.
Electronic transport properties of the armchair silicon carbide nanotube
Energy Technology Data Exchange (ETDEWEB)
Song Jiuxu; Yang Yintang; Liu Hongxia [Key Laboratory of Ministry of Education for Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); Guo Lixin [School of Science, Xidian University, Xi' an 710071 (China); Zhang Zhiyong, E-mail: songjiuxu@126.com [Information Science and Technology Institution, Northwest University, Xi' an 710069 (China)
2010-11-15
The electronic transport properties of the armchair silicon carbide nanotube (SiCNT) are investigated by using the combined nonequilibrium Green's function method with density functional theory. In the equilibrium transmission spectrum of the nanotube, a transmission valley of about 2.12 eV is discovered around Fermi energy, which means that the nanotube is a wide band gap semiconductor and consistent with results of first principle calculations. More important, negative differential resistance is found in its current voltage characteristic. This phenomenon originates from the variation of density of states caused by applied bias voltage. These investigations are meaningful to modeling and simulation in silicon carbide nanotube electronic devices.
Electrical transport and thermoelectric properties of boron carbide nanowires
Kirihara, Kazuhiro; Mukaida, Masakazu; Shimizu, Yoshiki
2017-04-01
The electrical transport and thermoelectric property of boron carbide nanowires synthesized by a carbothermal method are reported. It is demonstrated that the nanowires achieve a higher Seebeck coefficient and power factor than those of the bulk samples. The conduction mechanism of the nanowires at low temperatures below 300 K is different from that of the sintered-polycrystalline and single-crystal bulk samples. In a temperature range of 200–450 K, there is a crossover between electrical conduction by variable-range hopping and phonon-assisted hopping. The inhomogeneous carbon concentration and planar defects, such as twins and stacking faults, in the nanowires are thought to modify the bonding nature and electronic structure of the boron carbide crystal substantially, causing differences in the electrical conductivity and Seebeck coefficient. The effect of boundary scattering of phonon at nanostructured surface on the thermal conductivity reduction is discussed.
Transport Properties of Fluids in Micropores by Molecular Dynamics Simulation
Institute of Scientific and Technical Information of China (English)
LIU, Ying-Chun(刘迎春); WANG, Qi(王琦); Lü, Ling-Hong(吕玲红)
2004-01-01
The transport properties of fluid argon in micropores, i.e. diffusivity and viscosity, were studied by molecular dynamics simulations. The effects of pore width, temperature and density on diffusivity and viscosity were analyzed in micropores with pore widths from 0.8 to 4.0 nm. The results show that the diffusivity in micropores is much lower than the bulk diffusivity, and it decreases as the pore width decreases; but the viscosity in micropores is significantly larger than the bulk one, and it increases sharply in narrow micropores. The diffusivity in channel parallel direction is obviously larger than that in channel perpendicular direction. The temperature and density are important factors that obviously affect diffusivity and viscosity in micropores.
Transport properties of highly asymmetric hard-sphere mixtures.
Bannerman, Marcus N; Lue, Leo
2009-04-28
The static and dynamic properties of binary mixtures of hard spheres with a diameter ratio of sigma(B)/sigma(A)=0.1 and a mass ratio of m(B)/m(A)=0.001 are investigated using event driven molecular dynamics. The contact values of the pair correlation functions are found to compare favorably with recently proposed theoretical expressions. The transport coefficients of the mixture, determined from simulation, are compared to the predictions of the revised Enskog theory using both a third-order Sonine expansion and direct simulation Monte Carlo. Overall, the Enskog theory provides a fairly good description of the simulation data, with the exception of systems at the smallest mole fraction of larger spheres (x(A)=0.01) examined. A "fines effect" was observed at higher packing fractions, where adding smaller spheres to a system of large spheres decreases the viscosity of the mixture; this effect is not captured by the Enskog theory.
Research on Transport Properties of HFC-227ea
Institute of Scientific and Technical Information of China (English)
Lin Shi; Xiaojun Liu; Yuanyuan Duan; Lizhong Han; Mingshan Zhu
2001-01-01
HFC-227ea(1,1,1,2,3,3,3-heptafluoropropane) is considered as a promising refrigerant alternative, especially as a component in mixtures, to replace to CFC-12, HCFC-22 and R502. But reliable transport properties data for HFC-227ea are very limited. In this paper, experimental data of viscosity along the saturation line and gaseous thermal conductivity of HFC-227ea are given. The viscosity of HFC-227ea was measured with a capillary viscometer at temperatures between 263.15 K and 333.15 K along the saturation line and its uncertainty of the results is estimated to be no more than +3%. The thermal conductivity of gaseous HFC-227ea was also measured with a transient hot-wire instrument at temperatures between 259.28 K and 341.75 K and pressures up to 1.289MPa, and its uncertainty of the results is estimated to be less than +1%.
Coarse grained modeling of transport properties in monoclonal antibody solution
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.
Soil properties and preferential solute transport at the field scale
DEFF Research Database (Denmark)
Koestel, J K; Minh, Luong Nhat; Nørgaard, Trine
An important fraction of water flow and solute transport through soil takes place through preferential flow paths. Although this had been already observed in the nineteenth century, it had been forgotten by the scientific community until it was rediscovered during the 1970s. The awareness...... of the relevance of preferential flow was broadly re-established in the community by the early 1990s. However, since then, the notion remains widespread among soil scientists that the occurrence and strength of preferential flow cannot be predicted from measurable proxy variables such as soil properties or land...... management practices (e.g. Beven, K., 1991, modeling preferential flow - an uncertain future, Preferential Flow, 1-11). In our study, we present evidence that disproves this notion. We evaluated breakthrough curve experiments under a constant irrigation rate of 1 cm/h conducted on 65 soil columns (20 cm...
Theoretical studies of the transport property of oligosilane
Institute of Scientific and Technical Information of China (English)
无
2010-01-01
The transport mechanisms of four-conjugated systems were comparatively studied by combining ATK and Gaussian 03 calculations.It was found that the charge-doped oligosilane behaved in a different way from the boron doped and phosphorus doped oligosilanes in terms of the transmission property.The charge-doped oligosilane showed almost no conductivity owing to the damage of the electron transfer path by charge-doping.By contrast,the boron doped and phosphorus doped oligosilanes were demonstrated to be good semiconductors and NDR behavior was observed for them.This is a reasonable result after the analysis of the transmission spectra,MPSH states,energy gap,conjugation effect,and scattering effect.
Energy Technology Data Exchange (ETDEWEB)
Vignoud, L
2001-11-15
In this study, the thermomechanical properties of two epoxy resins (DGEBA/TETA and DGEBA/DDM systems) are analysed as a function of the irradiation dose. The maximum conversion and reticulation is obtained by post-curing treatment. Irradiation by electrons results in a decrease of the glass transition temperature and of the elastic modulus in the rubbery region. These results can be interpreted invoking a destruction of the crosslinks and chains breaks within the resin. The Arrhenius diagrams obtained for the various doses shows that the cooperative mobility associated with the {alpha} relaxation becomes faster after the irradiation. On the contrary, more local mobility corresponding to the {gamma} relaxation is also modified, but in a lesser extent. The stress-strain curves are also discussed. In uniaxial compression test, the plastic flow stress {sigma}{sub p} decreases when the irradiation dose increases and this effect can largely be accounted for by a variation of T{sub g}. Post-irradiative effects are studied in inert atmosphere. Reticulation increases when the material is heated to a higher temperature than its T{sub g}. This effect suggest the presence of radical formed during irradiation. For DGEBA/TETA system, glass transition temperature T{sub g} shifts towards lowest temperatures. This shift increases the molecular mobility and enhances the physical ageing process at the ambient temperature. The results are well described by the quasi point defects theory. Direct effect of irradiation and physical ageing evolve with the scale parameter t{sub 0}. This parameter characterizes the gap (in time and/or temperature) between the principal relaxation and simplest ones. By connecting t{sub 0} to the amount of irradiation, it is possible to predict the modifications of the behaviour and to predict these evolutions for various amounts. (author)
Electron Transport Materials: Synthesis, Properties and Device Performance
Energy Technology Data Exchange (ETDEWEB)
Cosimbescu, Lelia; Wang, Liang; Helm, Monte L.; Polikarpov, Evgueni; Swensen, James S.; Padmaperuma, Asanga B.
2012-06-01
We report the design, synthesis and characterization, thermal and photophysical properties of two silane based electron transport materials, dibenzo[b,d]thiophen-2-yltriphenylsilane (Si{phi}87) and (dibenzo[b,d]thiophen-2-yl)diphenylsilane (Si{phi}88) and their performance in blue organic light emitting devices (OLEDs). The utility of these materials in blue OLEDs with iridium (III) bis[(4,6-difluorophenyl)-pyridinato-N,C']picolinate (Firpic) as the phosphorescent emitter was demonstrated. Using the silane Si{phi}87 as the electron transport material (ETm) an EQE of 18.2% was obtained, with a power efficiency of 24.3 lm/W (5.8V at 1mA/cm{sup 2}), in a heterostructure. When Si{phi}88 is used, the EQE is 18.5% with a power efficiency of 26.0 lm/W (5.5V at 1mA/cm{sup 2}).
Compaction and transport properties of newly replicated Caulobacter crescentus DNA.
Hong, Sun-Hae; McAdams, Harley H
2011-12-01
Upon initiating replication of the Caulobacter chromosome, one copy of the parS centromere remains at the stalked pole; the other moves to the distal pole. We identified the segregation dynamics and compaction characteristics of newly replicated Caulobacter DNA during transport (highly variable from cell to cell) using time-lapse fluorescence microscopy. The parS centromere and a length (also highly variable) of parS proximal DNA on each arm of the chromosome are segregated with the same relatively slow transport pattern as the parS locus. Newly replicated DNA further than about 100 kb from parS segregates with a different and faster pattern, while loci at 48 kb from parS segregate with the slow pattern in some cells and the fast pattern in others. The observed parS-proximal DNA compaction characteristics have scaling properties that suggest the DNA is branched. HU2-deletion strains exhibited a reduced compaction phenotype except near the parS site where only the ΔHU1ΔHU2 double mutant had a compaction phenotype. The chromosome shows speed-dependent extension during translocation suggesting the DNA polymer is under tension. While DNA segregation is highly reliable and succeeds in virtually all wild-type cells, the high degree of cell to cell variation in the segregation process is noteworthy.
Transport properties of ultrathin black phosphorus on hexagonal boron nitride
Energy Technology Data Exchange (ETDEWEB)
Doganov, Rostislav A.; Özyilmaz, Barbaros [Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 6 Science Drive 2, 117546 Singapore (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore (Singapore); Graduate School for Integrative Sciences and Engineering (NGS), National University of Singapore, 28 Medical Drive, 117456 Singapore (Singapore); Koenig, Steven P.; Yeo, Yuting [Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 6 Science Drive 2, 117546 Singapore (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore (Singapore); Watanabe, Kenji; Taniguchi, Takashi [National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan)
2015-02-23
Ultrathin black phosphorus, or phosphorene, is a two-dimensional material that allows both high carrier mobility and large on/off ratios. Similar to other atomic crystals, like graphene or layered transition metal dichalcogenides, the transport behavior of few-layer black phosphorus is expected to be affected by the underlying substrate. The properties of black phosphorus have so far been studied on the widely utilized SiO{sub 2} substrate. Here, we characterize few-layer black phosphorus field effect transistors on hexagonal boron nitride—an atomically smooth and charge trap-free substrate. We measure the temperature dependence of the field effect mobility for both holes and electrons and explain the observed behavior in terms of charged impurity limited transport. We find that in-situ vacuum annealing at 400 K removes the p-doping of few-layer black phosphorus on both boron nitride and SiO{sub 2} substrates and reduces the hysteresis at room temperature.
Electronic transport properties of copper and gold at atomic scale
Energy Technology Data Exchange (ETDEWEB)
Mohammadzadeh, Saeideh
2010-11-23
The factors governing electronic transport properties of copper and gold atomic-size contacts are theoretically examined in the present work. A two-terminal conductor using crystalline electrodes is adopted. The non-equilibrium Green's function combined with the density functional tight-binding method is employed via gDFTB simulation tool to calculate the transport at both equilibrium and non-equilibrium conditions. The crystalline orientation, length, and arrangement of electrodes have very weak influence on the electronic characteristics of the considered atomic wires. The wire width is found to be the most effective geometric aspect determining the number of conduction channels. The obtained conductance oscillation and linear current-voltage curves are interpreted. To analyze the conduction mechanism in detail, the transmission channels and their decomposition to the atomic orbitals are calculated in copper and gold single point contacts. The presented results offer a possible explanation for the relation between conduction and geometric structure. Furthermore, the results are in good agreement with available experimental and theoretical studies. (orig.)
Transport properties of liquid metal hydrogen under high pressures
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.
Predicting the transport properties of sedimentary rocks from microstructure
Energy Technology Data Exchange (ETDEWEB)
Schlueter, Erika M. [Univ. of California, Berkeley, CA (United States)
1995-01-01
Understanding transport properties of sedimentary rocks, including permeability, relative permeability, and electrical conductivity, is of great importance for petroleum engineering, waste isolation, environmental restoration, and other applications. These transport properties axe controlled to a great extent by the pore structure. How pore geometry, topology, and the physics and chemistry of mineral-fluid and fluid-fluid interactions affect the flow of fluids through consolidated/partially consolidated porous media are investigated analytically and experimentally. Hydraulic and electrical conductivity of sedimentary rocks are predicted from the microscopic geometry of the pore space. Cross-sectional areas and perimeters of individual pores are estimated from two-dimensional scanning electron microscope (SEM) photomicrographs of rock sections. Results, using Berea, Boise, Massilon, and Saint-Gilles sandstones show close agreement between the predicted and measured permeabilities. Good to fair agreement is found in the case of electrical conductivity. In particular, good agreement is found for a poorly cemented rock such as Saint-Gilles sandstone, whereas the agreement is not very good for well-cemented rocks. The possible reasons for this are investigated. The surface conductance contribution of clay minerals to the overall electrical conductivity is assessed. The effect of partial hydrocarbon saturation on overall rock conductivity, and on the Archie saturation exponent, is discussed. The region of validity of the well-known Kozeny-Carman permeability formulae for consolidated porous media and their relationship to the microscopic spatial variations of channel dimensions are established. It is found that the permeabilities predicted by the Kozeny-Carman equations are valid within a factor of three of the observed values methods.
Material simulation of charge carrier transport properties of polymer dielectrics
Unge, Mikael; Christen, Thomas; Törnkvist, Christer; ABB Corporate Research Team
To understand electron and hole transport in solid material requires to know its electronic properties, i.e. the density of states (DOS) and whether the states are spatially localized or delocalized. The states closest to the band edges may be localized, states further away can be delocalized. This transition from localized to delocalized states determines the mobility edge, above the mobility edge the mobility is expected to be high. A real polymer is never perfect; it contains a number of oxidative states, bonding defects and molecular impurities. These imperfections yield electronic states that can appear in the band gap of the polymer, traps. Traps can be shallow, i.e. close to the band edges, from these states the charge carrier easily can jump to a state in the band edge or another shallow state. Other traps can be deep, in these states it is likely that the charge carrier remains and become immobile. All these properties related to the electronic structure of the polymer, including its defects, affects the conductivity of the polymer. Linear scaling Density Functional Theory has been applied to calculate electronic structure of amorphous polyethylene. In particular DOS, trap levels and mobility edges are studied.
Transport properties and nanosensors of oxide nanowires and nanobelts
Lao, Changshi
ZnO is one of the most important materials for electronics, optoelectronics, piezoelectricity and optics. With a wide band gap of 3.37eV and an exiton binding energy of 60meV, ZnO ID nanostructures exhibit promising properties in a lot of optical device applications. It is also an important piezoelectric material and has applications in a new category of nanodevices, nano-piezotronics. Demonstrated prototype of devices includes nanogenerators, piezoelectric-FET, and a series of evolutive devices based on the concept of nanogenerator. This is based on working principle of a semiconductor and piezoelectric coupled property. This thesis is about the growth, characterization and device fabrication of ZnO nanowires and nanobelts for sensors and UV detectors. First, the fundamental synthesis of ZnO nanostructurs is investigated, particularly polar surface dominated nanostructues, to illustrate the unique growth configurations of ZnO nanobelts, nanorings and nanosprings. Detail study in this part includes nanobelts, nanorings, nanocombs, nanonetworks, and nanodiskettes synthesis. Important factors in driving the nanostructure synthesis mechanism are analyzed, such as the chemical activities of different surface of ZnO, the abundant of available Zn ions in the vapor, and the polar surface dominated effects. These factors contribute to the large abundant available ZnO nanostructures. Then, the devices fabricated methods using individual nanowires/nanobelts and their electrical transport properties were carefully characterized. In this part, dominant factors which are critical for nanobelt device performance are investigated, such as the contact properties, interface effects, and durability testing. Also, a metal doping method is studied to explore the controlling and modification of nanowire electric and optical properties. Research results obtained here provide a basic and thoroughly understanding the control process and fabrication criteria in building a functional
Optical and Transport Properties of Organic Molecules: Methods and Applications
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
Energy Technology Data Exchange (ETDEWEB)
Berryman, J.G.
2007-10-02
Some arguments of Bristow (1960) concerning the effects of cracks on elastic and transport (i.e., electrical or thermal conduction) properties of cold-worked metals are reexamined. The discussion is posed in terms of a modern understanding of bounds and estimates for physical properties of polycrystals--in contrast to Bristow's approach using simple mixture theory. One type of specialized result emphasized here is the cross-property estimates and bounds that can be obtained using the methods presented. Our results ultimately agree with those of Bristow, i.e., confirming that microcracking is not likely to be the main cause of the observed elastic behavior of cold-worked metals. However, it also becomes clear that the mixture theory approach to the analysis is too simple and that crack-crack interactions are necessary for proper quantitative study of Bristow's problem.
Extended Macroscopic Study of Dilute Gas Flow within a Microcavity
Directory of Open Access Journals (Sweden)
Mohamed Hssikou
2016-01-01
Full Text Available The behaviour of monatomic and dilute gas is studied in the slip and early transition regimes using the extended macroscopic theory. The gas is confined within a two-dimensional microcavity where the longitudinal sides are in the opposite motion with constant velocity ±Uw. The microcavity walls are kept at the uniform and reference temperature T0. Thus, the gas flow is transported only by the shear stress induced by the motion of upper and lower walls. From the macroscopic point of view, the regularized 13-moment equations of Grad, R13, are solved numerically. The macroscopic gas proprieties are studied for different values of the so-called Knudsen number (Kn, which gives the gas-rarefaction degree. The results are compared with those obtained using the classical continuum theory of Navier-Stokes and Fourier (NSF.
Electron transport properties of carbon-based nanostructures
Diaz Pinto, Carlos A.
Grapheme and graphene-related systems have been the focus of intensive research due to their exceptional electronic behavior. Their properties have been studied for decades, from the unique band structure predicted for a single layer of graphite, to the unexpected linear magnetoresistance observed in its bulk form. Since its experimental isolation in 2004, studies on graphene monolayer, bilayer, and few-layer systems garnered an overwhelming amount of attention from the scientific community, with studies focusing on multilayers with nanometer thicknesses paling in comparison. The main motivation of this study is to further the understanding of systems consisting of multilayer graphene and ultrathin graphite (graphitic multilayers) through electron transport experiments. Uniquely designed and fabricated devices based on carbon nanostructures were used to study the transport of charge carriers under high electric and magnetic fields. For short-channel suspended graphitic multilayer devices, the two-terminal differential conductance dI/dV as a function of drain-source bias Vd displays a pronounced dip pinned at Vd=0, explained by the hot electron effect. The dip is attenuated under high magnetic fields, likely due to intra-Landau level cyclotron phonon scattering. Also, distinct high-energy dI/dV anomalies have been observed and shown to be related to intrinsic phonon-emission processes in graphite. The evolution of such dI/dV anomalies under magnetic fields is understood as a consequence of the inter-Landau level cyclotron-phonon resonance scattering. The magnetoresistance (MR) of this system shows Shubnikov-de Haas oscillations on top of a strong positive nearly-linear background. Upon the introduction of a significant amount of short-range disorders through ion implantation, the positive MR transforms into a negative MR. The results for the MR of pure and implanted graphitic multilayers can be understood by considering a recent magneto-transport theory for two
Transport properties of damaged materials. Cementitious barriers partnership
Energy Technology Data Exchange (ETDEWEB)
Langton, C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)
2014-11-01
The objective of the Cementitious Barriers Partnership (CBP) project is to develop tools to improve understanding and prediction of the long-term structural, hydraulic, and chemical performance of cementitious barriers used in low-level waste storage applications. One key concern for the long-term durability of concrete is the degradation of the cementitious matrix, which occurs as a result of aggressive chemical species entering the material or leaching out in the environment, depending on the exposure conditions. The objective of the experimental study described in this report is to provide experimental data relating damage in cementitious materials to changes in transport properties, which can eventually be used to support predictive model development. In order to get results within a reasonable timeframe and to induce as much as possible uniform damage level in materials, concrete samples were exposed to freezing and thawing (F/T) cycles. The methodology consisted in exposing samples to F/T cycles and monitoring damage level with ultrasonic pulse velocity measurements. Upon reaching pre-selected damage levels, samples were tested to evaluate changes in transport properties. Material selection for the study was motivated by the need to get results rapidly, in order to assess the relevance of the methodology. Consequently, samples already available at SIMCO from past studies were used. They consisted in three different concrete mixtures cured for five years in wet conditions. The mixtures had water-to-cement ratios of 0.5, 0.65 and 0.75 and were prepared with ASTM Type I cement only. The results showed that porosity is not a good indicator for damage caused by the formation of microcracks. Some materials exhibited little variations in porosity even for high damage levels. On the other hand, significant variations in tortuosity were measured in all materials. This implies that damage caused by internal pressure does not necessarily create additional pore space in
Cementitious barriers partnership transport properties of damaged materials
Energy Technology Data Exchange (ETDEWEB)
Langton, C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)
2014-11-01
The objective of the Cementitious Barriers Partnership (CBP) project is to develop tools to improve understanding and prediction of the long-term structural, hydraulic, and chemical performance of cementitious barriers used in low level waste storage applications. One key concern for the long-term durability of concrete is the degradation of the cementitious matrix, which occurs as a result of aggressive chemical species entering the material or leaching out in the environment, depending on the exposure conditions. The objective of the experimental study described in this report is to provide experimental data relating damage in cementitious materials to changes in transport properties, which can eventually be used to support predictive model development. In order to get results within a reasonable timeframe and to induce as much as possible uniform damage level in materials, concrete samples were exposed to freezing and thawing (F/T) cycles. The methodology consisted in exposing samples to F/T cycles and monitoring damage level with ultrasonic pulse velocity measurements. Upon reaching pre-selected damage levels, samples were tested to evaluate changes in transport properties. Material selection for the study was motivated by the need to get results rapidly, in order to assess the relevance of the methodology. Consequently, samples already available at SIMCO from past studies were used. They consisted in three different concrete mixtures cured for five years in wet conditions. The mixtures had water-to-cement ratios of 0.5, 0.65 and 0.75 and were prepared with ASTM Type I cement only. The results showed that porosity is not a good indicator for damage caused by the formation of microcracks. Some materials exhibited little variations in porosity even for high damage levels. On the other hand, significant variations in tortuosity were measured in all materials. This implies that damage caused by internal pressure do not necessarily creates additional pore space in
Institute of Scientific and Technical Information of China (English)
罗荣; 曾亚武
2012-01-01
The inhomogeneous composition of rock is described by using the random parameter assignment method of rock mineral cell unit which is based on the contents (sort and ratio) of the rock forming minerals. The hybrid models with two mineral cell units and three mineral cell units that simulate inhomogeneous rock are used to carry out numerical test to research the influence of inhomogeneiry on macroscopic stress-strain curve. Besides, based on the rock mineral composition (sort and ratio), the parameter of inhomogeneity degree is defined. The influence of inhomogeneiry degree on the macroscopic mechanical parameters (elastic modulus and ultimate strength) are analyzed according to results of the numerical test. The research result indicates that mechanical property of homogeneity rock is determined by the mechanical properties of the units, while inhomogeneous rock is determined by both the mechanical properties of the units and the rock mineral composition. When the parameter of inhomogeneity degree is small, the weakening effect of elastic modulus caused by inhompgeneity is small, and vice versa. The influence on ultimate strength is the same as that on elastic modulus.%利用岩石矿物细胞元随机性参数赋值方法描述岩石的非均质构成,分别针对2类矿物细胞元和3类矿物细胞元构成的非均质岩石模型,研究了岩石非均质构成对其宏观应力-应变关系曲线的影响.基于岩石矿物构成定义了岩石的非均质度,根据数值模拟计算结果分析了岩石非均质度对岩石宏观力学参数(宏观弹性模量、极限强度)的影响.研究结果表明:均质岩石宏观力学特性由细胞元力学特性决定,非均质岩石宏观力学特性由细胞元力学特性和岩石非均质构成共同决定；在非均质度较小时,宏观弹性模量受岩石非均质性的弱化影响较小,反之,当非均质度较大时,宏观弹性模量受非均质性的弱化影响较大；宏观极限强度受岩石
Transport properties of ion implanted poly (p-phenylene vinylene)
Energy Technology Data Exchange (ETDEWEB)
Lucas, B. (LEPOFI, Faculte des Sciences, 87 Limoges (France)); Ratier, B. (LEPOFI, Faculte des Sciences, 87 Limoges (France)); Moliton, A. (LEPOFI, Faculte des Sciences, 87 Limoges (France)); Moreau, C. (Cavendish Lab., Univ. of Cambridge, Cambridge (United Kingdom)); Friend, R.H. (Cavendish Lab., Univ. of Cambridge, Cambridge (United Kingdom))
1993-04-19
We have studied the effect of ion implantation on transport properties (thermopower S, dc conductivity [sigma], ac conductivity [sigma][sub T]) of poly (p-phenylene vinylene). We have noticed that the thermopower sign is characteristic of the implanted ion (S > 0 for halogen, S < 0 for alkali) at low implantation energy (E [<=] 50 keV). The slope of [sigma] = f (T[sup -1]) varies, with values for activation energy between 32 meV (D = 10[sup 16] ions/cm[sup 2]) and 57 meV (D = 10[sup 15] ions/cm[sup 2]): the activation energy falls as the fluence increases in the case of implantation at low energy (E [<=] 50 keV). AC conductivity has been studied as a function of frequency v (v = 20 Hz - 1 MHz) and of temperatures T (T = 100 K - 380 K). For lower fluences (D = 2.10[sup 15] ions/cm[sup 2]), at low temperatures the ac conductivity shows hopping behaviour, switching to activated behaviour at higher temperatures. For higher fluences (D = 2.10[sup 16] ions/cm[sup 2]) the main processes are thermally activated. Thus for a high implantation energy (E = 250 keV), the related conductivity is less thermally activated and the curve [sigma][sub T] = f (1/T) slightly depends on temperature (hopping mechanism). (orig.)
Transport properties of C and O in UN fuels
Schuler, Thomas; Lopes, Denise Adorno; Claisse, Antoine; Olsson, Pär
2017-03-01
Uranium nitride fuel is considered for fast reactors (GEN-IV generation and space reactors) and for light water reactors as a high-density fuel option. Despite this large interest, there is a lack of information about its behavior for in-pile and out-of-pile conditions. From the present literature, it is known that C and O impurities have significant influence on the fuel performance. Here we perform a systematic study of these impurities in the UN matrix using electronic-structure calculations of solute-defect interactions and microscopic jump frequencies. These quantities were calculated in the DFT +U approximation combined with the occupation matrix control scheme, to avoid convergence to metastable states for the 5 f levels. The transport coefficients of the system were evaluated with the self-consistent mean-field theory. It is demonstrated that carbon and oxygen impurities have different diffusion properties in the UN matrix, with O atoms having a higher mobility, and C atoms showing a strong flux coupling anisotropy. The kinetic interplay between solutes and vacancies is expected to be the main cause for surface segregation, as incorporation energies show no strong thermodynamic segregation preference for (001) surfaces compared with the bulk.
Structural and transport properties of directly assembled nanowires
Ozturk, Birol
Scope and method of study. In this work, we present a systematic study on the assembly and characterization of nanostructures. We employed self and directed assembly methods in order to organize nanostructures. Quantitative film balance studies of self-assembled semiconductor nanoparticles enabled the determination of their effective interparticle potential. As a directed-assembly method, dielectrophoresis was used in the fabrication of interconnects from dispersions of nanostructures between targeted points in external circuitry. Directed electrochemical nanowire assembly (DENA) was developed and used in the fabrication of metallic nanowires from simple salt solutions. The structural and charge transport properties of the assembled nanostructures and the DENA-grown nanowires were characterized. Findings and conclusions. The CdSe nanoparticles of a given diameter were found to behave like hard-disks with significantly smaller diameters. This behavior was attributed to an attractive contribution to the interparticle potential, such as the dipolar potential. We found that nanoparticulate CdS converts to bulk CdS during dielectrophoretic interconnect fabrication. We demonstrated that the dielectrophoretic interconnects fabricated from gold nanorods are nanostructured, limiting their conductivity. DENA technique enabled the single-step growth and low-resistance interconnecting of crystalline diameter-tunable metallic nanowires. The preliminary results of the diameter-dependent resistivity studies with the DENA-grown gold nanowires were consistent with the predicted behavior.
Thermodynamic and transport properties of superconducting Mg10B2.
Finnemore, D K; Ostenson, J E; Bud'ko, S L; Lapertot, G; Canfield, P C
2001-03-12
Transport and thermodynamic properties of a sintered pellet of the newly discovered MgB2 superconductor have been measured to determine the characteristic critical magnetic fields and critical current densities. Both resistive transition and magnetization data give similar values of the upper critical field, Hc2, with magnetization data giving dHc2/dT = 0.44 T/K at the transition temperature of Tc = 40.2 K. Close to the transition temperature, magnetization curves are thermodynamically reversible, but at low temperatures the trapped flux can be on the order of 1 T. The value of dHc/dT at Tc is estimated to be about 12 mT/K, a value similar to classical superconductors like Sn. Hence, the Ginzburg-Landau parameter kappa approximately 26. Estimates of the critical supercurrent density, Jc, using hysteresis loops and the Bean model, give critical current densities on the order of 10(5) A/cm2. Hence the supercurrent coupling through the grain boundaries is comparable to intermetallics like Nb3Sn.
Sahoo, Pranati
Increasing energy demands and decreasing natural energy resources have sparked search for alternative clean and renewable energy sources. For instance, currently there is a tremendous interest in thermoelectric and photovoltaic solar energy production technologies. Half-Heusler (HH) alloys are among the most popular material systems presently under widespread investigations for high temperature thermoelectric energy conversion. Approaches to increase the thermoelectric figure of merit (ZT) of HH range from (1) chemical substitution of atoms with different masses within the same atomic position in the crystal structure to optimize carrier concentration and enhance phonon scattering via mass fluctuation and (2) embedding secondary phonon scattering centers in the matrix (nanostructuring) to further reduce thermal conductivity. This work focuses on three material systems. The first part describes the synthesis and properties (thermal conductivity, electrical conductivity, magnetic) of various oxide nanostructures (NiO, Co3O4) which were subsequently used as inclusion phases in a HH matrix to reduce the thermal conductivity. Detailed reviews of the past efforts along with the current effort to optimize synthetic routes are presented. The effects of the synthesis conditions on the thermoelectric properties of compacted pellets of NiO and Co3O4 are also discussed. The second part of the work discusses the development of synthetic strategies for the fabrication of p-type and n-type bulk nanostructured thermoelectric materials made of a half-Heusler matrix based on (Ti,Hf)CoSb, containing nanostructures with full-Heusler (FH) compositions and structures coherently embedded inside the half-Heusler matrix. The role of the nanostructures in the regulation of phonon and charge carrier transports within the half-heusler matrix is extensively discussed by combining transport data and electron microscopy images. It was found that the FH nanoinclusions form staggered
Quantum correlations of lights in macroscopic environments
Sua, Yong Meng
This dissertation presents a detailed study in exploring quantum correlations of lights in macroscopic environments. We have explored quantum correlations of single photons, weak coherent states, and polarization-correlated/polarization-entangled photons in macroscopic environments. These included macroscopic mirrors, macroscopic photon number, spatially separated observers, noisy photons source and propagation medium with loss or disturbances. We proposed a measurement scheme for observing quantum correlations and entanglement in the spatial properties of two macroscopic mirrors using single photons spatial compass state. We explored the phase space distribution features of spatial compass states, such as chessboard pattern by using the Wigner function. The displacement and tilt correlations of the two mirrors were manifested through the propensities of the compass states. This technique can be used to extract Einstein-Podolsky-Rosen correlations (EPR) of the two mirrors. We then formulated the discrete-like property of the propensity P b(m,n), which can be used to explore environmental perturbed quantum jumps of the EPR correlations in phase space. With single photons spatial compass state, the variances in position and momentum are much smaller than standard quantum limit when using a Gaussian TEM 00 beam. We observed intrinsic quantum correlations of weak coherent states between two parties through balanced homodyne detection. Our scheme can be used as a supplement to decoy-state BB84 protocol and differential phase-shift QKD protocol. We prepared four types of bipartite correlations +/- cos2(theta1 +/- theta 2) that shared between two parties. We also demonstrated bits correlations between two parties separated by 10 km optical fiber. The bits information will be protected by the large quantum phase fluctuation of weak coherent states, adding another physical layer of security to these protocols for quantum key distribution. Using 10 m of highly nonlinear
The synthesis and transport properties of the complex salt /TMPD/ /TCNQ/2
Somoano, R.; Hadek, V.; Yen, S. P. S.; Rembaum, A.; Deck, R.
1975-01-01
The syntheses and transport properties of the complex salt /TMPD/ /TCNQ/2 are described. At high temperatures, the complex is a magnetic semiconductor with transport properties intermediate between those found in the highly conducting and poorly conducting TCNQ salts. The complex undergoes a transition below 50-60 K to a state exhibiting singlet-triplet behavior with weakly alternating exchange coupling.
Approximating macroscopic observables in quantum spin systems with commuting matrices
Ogata, Yoshiko
2011-01-01
Macroscopic observables in a quantum spin system are given by sequences of spatial means of local elements $\\frac{1}{2n+1}\\sum_{j=-n}^n\\gamma_j(A_{i}), \\; n\\in{\\mathbb N},\\; i=1,...,m$ in a UHF algebra. One of their properties is that they commute asymptotically, as $n$ goes to infinity. It is not true that any given set of asymptotically commuting matrices can be approximated by commuting ones in the norm topology. In this paper, we show that for macroscopic observables, this is true.
Opto-electronic and quantum transport properties of semiconductor nanostructures
Energy Technology Data Exchange (ETDEWEB)
Sabathil, M.
2005-01-01
In this work a novel and efficient method for the calculation of the ballistic transport properties of open semiconductor nanostructures connected to external reservoirs is presented. It is based on the Green's function formalism and reduces the effort to obtain the transmission and the carrier density to a single solution of a hermitian eigenvalue problem with dimensions proportional to the size of the decoupled device and the multiple inversion of a small matrix with dimensions proportional to the size of the contacts to the leads. Using this method, the 4-band GaAs hole transport through a 2-dimensional three-terminal T-junction device, and the resonant tunneling current through a 3-dimensional InAs quantum dot molecule embedded into an InP heterostructure have been calculated. The further extension of the method into a charge self-consistent scheme enables the efficient prediction of the IV-characteristics of highly doped nanoscale field effect transistors in the ballistic regime, including the influence of quasi bound states and the exchange-correlation interaction. Buettiker probes are used to emulate the effect of inelastic scattering on the current for simple 1D devices, systematically analyzing the dependence of the density of states and the resulting self-consistent potential on the scattering strength. The second major topic of this work is the modeling of the optical response of quantum confined neutral and charged excitons in single and coupled self-assembled InGaAs quantum dots. For this purpose the existing device simulator nextnano{sup 3} has been extended to incorporate particle-particle interactions within the means of density functional theory in local density approximation. In this way the exciton transition energies for neutral and charged excitons as a function of an externally applied electric field have been calculated, revealing a systematic reduction of the intrinsic dipole with the addition of extra holes to the exciton, a finding
Possible Evidence for Stripes in the Transport Properties of PLCCO
Ando, Yoichi
2004-03-01
It is now recognized that the charged stripes exist surely in La_1.6-xNd_0.4Sr_xCuO_4, probably in La_2-xSr_xCuO4 (LSCO), and possibly in YBa_2Cu_3O_y. It is also recognized that an intrinsic electronic inhomogeneity exists in Bi_2Sr_2CaCu_2O_8. These observations naturally lead to a notion that some form of electron self-organization might be fundamentally related to the high-Tc superconductivity. In this context, of particular interest is whether stripes (or some electron self-organizations) exist in electron-doped cuprates as well. To investigate this issue, we took notice of two peculiar features in lightly hole-doped LSCO: (1) It was demonstrated that the anisotropic phonon heat transport is a good probe of the stripe formation in lightly-doped LSCO; namely, the spin stripes in this system are well-ordered in the CuO2 planes but are disordered along the c axis, which causes the c-axis phonons alone to be anomalously scattered [X. F. Sun et al., PRB 67, 104503 (2003)]. (2) It was also demonstrated that the in-plane resistivity ρ_ab of lightly-doped LSCO crystals shows metallic behavior (dρ_ab/dT > 0) even in the long-range-ordered Néel state, where the hole mobility is surprisingly similar to that in optimally-doped samples; such an unusual metallic behavior can naturally be understood if doped holes form self-organized ``rivers" whose distance changes with doping [Y. Ando et al., PRL 87, 017001 (2001)]. Taking these features as signatures of stripes, we examined the transport properties of lightly electron-doped Pr_1.3-xLa_0.7Ce_xCuO4 (PLCCO). It was found that both of the above unusual features are observed also in lightly-doped PLCCO, which gives possible evidence for stripes in electron-doped cuprates.
Transport properties of multicomponent thermal plasmas: Grad method versus Chapman-Enskog method
Energy Technology Data Exchange (ETDEWEB)
Porytsky, P. [Institute for Nuclear Research, 03680 Kyiv (Ukraine); Krivtsun, I.; Demchenko, V. [Paton Welding Institute, 03680 Kyiv (Ukraine); Reisgen, U.; Mokrov, O.; Zabirov, A. [RWTH Aachen University, ISF-Welding and Joining Institute, 52062 Aachen (Germany); Gorchakov, S.; Timofeev, A.; Uhrlandt, D. [Leibniz Institute for Plasma Science and Technology (INP Greifswald), 17489 Greifswald (Germany)
2013-02-15
Transport properties (thermal conductivity, viscosity, and electrical conductivity) for multicomponent Ar-Fe thermal plasmas at atmospheric pressure have been determined by means of two different methods. The transport coefficients set based on Grad's method is compared with the data obtained when using the Chapman-Enskog's method. Results from both applied methods are in good agreement. It is shown that the Grad method is suitable for the determination of transport properties of the thermal plasmas.
Microscopic versus macroscopic calculation of dielectric nanospheres
Kühn, M.; Kliem, H.
2008-12-01
The issue of nanodielectrics has recently become an important field of interest. The term describes nanometric dielectrics, i. e. dielectric materials with structural dimensions typically smaller than 100 run. In contrast to the behaviour of a bulk material the nanodielectrics can behave completely different. With shrinking dimensions the surface or rather boundary effects outweigh the volume effects. This leads to a different observable physics at the nanoscale. A crucial point is the question whether a continuum model for the calculation of dielectric properties is still applicable for these nanomaterials. In order to answer this question we simulated dielectric nanospheres with a microscopic local field method and compared the results to the macroscopic mean field theory.
Energy Technology Data Exchange (ETDEWEB)
Salles, F
2006-10-15
Smectites have interesting properties which make them potential candidates for engineered barriers in deep geological nuclear waste repository: low permeability, swelling and cations retention. The subject of this thesis consists in the determination of the relationship between hydration properties, swelling properties and cations mobility in relation with confinement properties of clayey materials. The aim is to understand and to predict the behaviour of water in smectites, following two research orientations: the mechanistic aspects and the energetic aspects of the hydration of smectites. We worked on the Na-Ca montmorillonite contained in the MX80 bentonite, with the exchanged homo ionic structure (saturated with alkaline cations and calcium cations). The approach crosses the various scales (microscopic, mesoscopic and macroscopic) and implied the study of the various components of the system (layer-cation-water), by using original experimental methods (thermo-poro-metry and electric conductivity for various relative humidities (RH) and electrostatic calculations. Initially, the dry state is defined by SCTA (scanning calorimetry thermal analysis). Then a classical characterization of the smectite porosity for the dry state is carried out using mercury intrusion and nitrogen adsorption. We evidenced the existence of a meso-porosity which radius varies from 2 to 10 nm depending on the compensating cation. The thermo-poro-metry and conductivity experiments performed at various hydration states made it possible to follow the increase in the pore sizes and the cations mobility as a function of the hydration state. We highlight in particular the existence of an osmotic mesoscopic swelling for low RH (approximately 50-60%RH for Li and Na). By combining the results of thermo-poro-metry, X-ray diffraction and electric conductivity, we are able to propose a complete hydration sequence for each cation, showing the crucial role of the compensating cation in the hydration of
Geometric aspects of Schnakenberg's network theory of macroscopic nonequilibrium observables
Polettini, M.
2011-03-01
Schnakenberg's network theory deals with macroscopic thermodynamical observables (forces, currents and entropy production) associated to the steady states of diffusions on generic graphs. Using results from graph theory and from the theory of discrete differential forms we recast Schnakenberg's treatment in the form of a simple discrete gauge theory, which allows to interpret macroscopic forces as the Wilson loops of a real connection. We discuss the geometric properties of transient states, showing that heat fluxes allow for a notion of duality of macroscopic observables which interchanges the role of the environment and that of the system. We discuss possible generalizations to less trivial gauge groups and the relevance for nonequilibrium fluctuation theorems. Based on work in collaboration with professor A. Maritan, University of Padua, to be published.
Broadband Macroscopic Cortical Oscillations Emerge from Intrinsic Neuronal Response Failures
Directory of Open Access Journals (Sweden)
Amir eGoldental
2015-10-01
Full Text Available Broadband spontaneous macroscopic neural oscillations are rhythmic cortical firing which was extensively examined during the last century, however, their possible origination is still controversial. In this work we show how macroscopic oscillations emerge in solely excitatory random networks and without topological constraints. We experimentally and theoretically show that these oscillations stem from the counterintuitive underlying mechanism - the intrinsic stochastic neuronal response failures. These neuronal response failures, which are characterized by short-term memory, lead to cooperation among neurons, resulting in sub- or several- Hertz macroscopic oscillations which coexist with high frequency gamma oscillations. A quantitative interplay between the statistical network properties and the emerging oscillations is supported by simulations of large networks based on single-neuron in-vitro experiments and a Langevin equation describing the network dynamics. Results call for the examination of these oscillations in the presence of inhibition and external drives.
Evaluating transport in irregular pore networks
Klimenko, Dimitri A; Klimenko, Alexander Y; 10.1103/PhysRevE.86.011112
2012-01-01
A general approach for investigating transport phenomena in porous media is presented. This approach has the capacity to represent various kinds of irregularity in porous media without the need for excessive detail or computational effort. The overall method combines a generalized Effective Medium Approximation (EMA) with a macroscopic continuum model in order to derive a transport equation with explicit analytical expressions for the transport coefficients. The proposed form of the EMA is an anisotropic and heterogeneous extension of Kirkpatrick's EMA [Rev. Mod. Phys. 45, 574 (1973)] which allows the overall model to account for microscopic alterations in connectivity (with the locations of the pores and the orientation and length of the throat) as well as macroscopic variations in transport properties. A comparison to numerical results for randomly generated networks with different properties is given, indicating the potential for this methodology to handle cases that would pose significant difficulties to ...
High field transport properties of a bilayer graphene
Bhargavi, K. S.; Kubakaddi, S. S.
2014-02-01
The high electric field transport properties namely, hot electron energy loss rate P, momentum loss rate Q, electron temperature Te and drift velocity Vd are studied theoretically in a bilayer graphene (BLG) by employing the momentum and energy balance technique. P and Q are investigated as a function of Te by considering the electron interaction with the acoustic phonons (APs) and the surface polar phonons (SPPs). In the Bloch-Grüneisen regime P (Q) due to APs is ~Te4 (Te2.5), with a new feature of a kink appearing due to the chiral nature of the electrons. The predicted Te4 is consistent with the recent experimental observation of heat resistance (Yan et al. Nature Nanotechnology 3 (2012) 472 [35]). Hot phonon effect is taken into account for SPPs. A dip has been observed in the hot phonon distribution of SPPs, a new feature, which is not found in conventional two-dimensional electron gas, and this can be attributed to the chiral nature of the electrons. P (Q) due to SPPs is found to be dominant at about Te>150 (180) K for a lattice temperature T=4.2 K. It is observed that the hot phonon effect is found to reduce P and Q due to SPPs significantly. Te and Vd are calculated as a function of the electric field E by taking into account the additional channels for momentum relaxation due to Coulomb impurity (CI) and short-range disorder (SD). Te is found to increase with the increasing electric field and is significantly enhanced by the hot phonon effect. Low field Vd is found to be limited by CI, SD and APs and in the high field region it reaches a near saturation value. The hot phonon effect tends to reduce the value of Vd. The presence of disorders CI and SD reduces Vd significantly and in clean samples larger saturation velocity can be achieved at a relatively smaller E.
Preduction of transport properties of gases using classical nonspherical models
Energy Technology Data Exchange (ETDEWEB)
Verlin, J.D.
1976-01-01
The general formulation of the classical kinetic theory, which is needed to predict transport properties of gases in situations where the hydrodynamic equations are valid, is reviewed. A rigid convex model of tetrahedral symmetry is used to predict the Senftleben-Beenakker effect of a static magnetic field on the thermal conductivity and viscosity of pure CH/sub 4/, CD/sub 4/ and CF/sub 4/. The parameters of the model are optimized and are found to assume physically reasonable values. The calculations agree with experiment to a degree comparable to that of similar work on diatomic molecules. A generalized scattering cross section, ..gamma.., is defined which can be evaluated exactly for the limiting cases of a spherical soft potential and rigid ovaloids. For a general soft nonspherical interaction of the Kihara type, a suitable approximation for the momentum dependence is made with the following attributes: ..gamma.. reduces to the form for soft sphere and rigid ovaloid in the limits and the resulting matrix elements of the collision operator can be written in terms of the familiar ..cap omega..* integrals. This formulation is used to investigate thermal diffusion in binary isotopic mixtures of CO. Calculations are made in an 80/sup 0/K to 300/sup 0/K range which includes the inversion temperatures for all mixtures studied. Thermal conductivity and diffusion coefficients of CO are also calculated. The parameters of the model can be adjusted to account for the major features of the experimental data. The physical significance of the parameters is discussed. (auth)
Göncü, F.; Luding, S.
2013-01-01
The macroscopic mechanical behavior of granular materials inherently depends on the properties of particles that compose them. Using the discrete element method, the effect of particle contact friction and polydispersity on the macroscopic stress response of 3D sphere packings is studied. The analyt
Macroscopically-Discrete Quantum Cosmology
Chew, Geoffrey F
2008-01-01
To Milne's Lorentz-group-based spacetime and Gelfand-Naimark unitary representations of this group we associate a Fock space of 'cosmological preons'-quantum-theoretic universe constituents. Milne's 'cosmological principle' relies on Lorentz invariance of 'age'--global time. We divide Milne's spacetime into 'slices' of fixed macroscopic width in age, with 'cosmological rays' defined on (hyperbolic) slice boundaries-Fock space attaching only to these exceptional universe ages. Each (fixed-age) preon locates within a 6-dimensional manifold, one of whose 3 'extra' dimensions associates in Dirac sense to a self-adjoint operator that represents preon (continuous) local time, the operator canonically-conjugate thereto representing preon (total) energy. Self-adjoint-operator expectations at any spacetime-slice boundary prescribe throughout the following slice a non-fluctuating 'mundane reality'- electromagnetic and gravitational potentials 'tethered' to current densities of locally-conserved electric charge and ener...
Seismic scanning tunneling macroscope - Theory
Schuster, Gerard T.
2012-09-01
We propose a seismic scanning tunneling macroscope (SSTM) that can detect the presence of sub-wavelength scatterers in the near-field of either the source or the receivers. Analytic formulas for the time reverse mirror (TRM) profile associated with a single scatterer model show that the spatial resolution limit to be, unlike the Abbe limit of λ/2, independent of wavelength and linearly proportional to the source-scatterer separation as long as the point scatterer is in the near-field region; if the sub-wavelength scatterer is a spherical impedance discontinuity then the resolution will also be limited by the radius of the sphere. Therefore, superresolution imaging can be achieved as the scatterer approaches the source. This is analogous to an optical scanning tunneling microscope that has sub-wavelength resolution. Scaled to seismic frequencies, it is theoretically possible to extract 100 Hz information from 20 Hz data by imaging of near-field seismic energy.
Structural Properties of the Brazilian Air Transportation Network.
Couto, Guilherme S; da Silva, Ana Paula Couto; Ruiz, Linnyer B; Benevenuto, Fabrício
2015-09-01
The air transportation network in a country has a great impact on the local, national and global economy. In this paper, we analyze the air transportation network in Brazil with complex network features to better understand its characteristics. In our analysis, we built networks composed either by national or by international flights. We also consider the network when both types of flights are put together. Interesting conclusions emerge from our analysis. For instance, Viracopos Airport (Campinas City) is the most central and connected airport on the national flights network. Any operational problem in this airport separates the Brazilian national network into six distinct subnetworks. Moreover, the Brazilian air transportation network exhibits small world characteristics and national connections network follows a power law distribution. Therefore, our analysis sheds light on the current Brazilian air transportation infrastructure, bringing a novel understanding that may help face the recent fast growth in the usage of the Brazilian transport network.
Svehla, R. A.; Mcbride, B. J.
1973-01-01
Program performs calculations such as chemical equilibrium for assigned thermodynamic states, theoretical rocket performance for both equilibrium and frozen compositions during expansion, incident and reflected shock properties, and Chapman-Jouget detonation properties. Features include simplicity of input and storage of all thermodynamic and transport property data on master tape.
Understanding hopping transport and thermoelectric properties of conducting polymers
Ihnatsenka, Siarhei; Crispin, Xavier; Zozoulenko, Igor
2015-01-01
We calculate the conductivity sigma and the Seebeck coefficient S for the phonon-assisted hopping transport in conducting polymers poly(3,4-ethylenedioxythiophene) or PEDOT, experimentally studied by Bubnova et al. [J. Am. Chem. Soc. 134, 16456 (2012)]. We use the Monte Carlo technique as well as the semianalytical approach based on the transport energy concept. We demonstrate that both approaches show a good qualitative agreement for the concentration dependence of sigma and S. At the same t...
DEFF Research Database (Denmark)
Barreto, Lucas; Perkins, Edward; Johannsen, Jens;
2013-01-01
The electronic transport properties of epitaxial monolayer graphene (MLG) and hydrogen-intercalated quasi free-standing bilayer graphene (QFBLG) on SiC(0001) are investigated by micro multi-point probes. Using a probe with 12 contacts, we perform four-point probe measurements with the possibility...
Analysis Of Transport Properties of Mechanically Alloyed Lead Tin Telluride
Krishna, Rajalakshmi
these inclusions would not be less than that expected in alloys without these inclusions while the portion of the thermal conductivity that is not due to charge carriers (the lattice thermal conductivity) would be less than what would be expected from alloys that do not have these inclusions. Furthermore, it would be possible to approximate the observed changes in the electrical and thermal transport properties using existing physical models for the scattering of electrons and phonons by small inclusions. The approach taken to investigate this hypothesis was to first experimentally characterize the mobile carrier concentration at room temperature along with the extent and type of secondary phase inclusions present in a series of three mechanically alloyed Pb1-xSnxTe alloys with different Sn content. Second, the physically based computational model was developed. This model was used to determine what the electronic conductivity, Seebeck coefficient, total thermal conductivity, and the portion of the thermal conductivity not due to mobile charge carriers would be in these particular Pb1-x SnxTe alloys if there were to be no secondary phase inclusions. Third, the electronic conductivity, Seebeck coecient and total thermal conductivity was experimentally measured for these three alloys with inclusions present at elevated temperatures. The model predictions for electrical conductivity and Seebeck coefficient were directly compared to the experimental elevated temperature electrical transport measurements. The computational model was then used to extract the lattice thermal conductivity from the experimentally measured total thermal conductivity. This lattice thermal conductivity was then compared to what would be expected from the alloys in the absence of secondary phase inclusions. Secondary phase inclusions were determined by X-ray diraction analysis to be present in all three alloys to a varying extent. The inclusions were found not to significantly degrade electrical
State-to-state kinetics and transport properties of electronically excited N and O atoms
Istomin, V. A.; Kustova, E. V.
2016-11-01
A theoretical model of transport properties in electronically excited atomic gases in the state-to-state approach is developed. Different models for the collision diameters of atoms in excited states are discussed, and it is shown that the Slater-like models can be applied for the state-resolved transport coefficient calculations. The influence of collision diameters of N and O atoms with electronic degrees of freedom on the transport properties is evaluated. Different distributions on the electronic energy are considered for the calculation of transport coefficients. For the Boltzmann-like distributions at temperatures greater than 15000 K, an important effect of electronic excitation on the thermal conductivity and viscosity coefficients is found; the coefficients decrease significantly when many electronic states are taken into account. It is shown that under hypersonic reentry conditions the impact of collision diameters on the transport properties is not really important since the populations of high levels behind the shock waves are low.
Macroscopic theory of dark sector
Meierovich, Boris E
2013-01-01
A simple Lagrangian with squared covariant divergence of a vector field as a kinetic term turned out an adequate tool for macroscopic description of the dark sector. The zero-mass field acts as the dark energy. Its energy-momentum tensor is a simple additive to the cosmological constant. Massive fields {\\phi}_{I} with {\\phi}^{K}{\\phi}_{K}0 describe two different forms of dark matter. The space-like ({\\phi}^{K}{\\phi}_{K}0) massive field displays repulsive elasticity. In balance with dark energy and ordinary matter it provides a four parametric diversity of regular solutions of the Einstein equations describing different possible cosmological and oscillating non-singular scenarios of evolution of the universe. In particular, the singular big bang turns into a regular inflation-like transition from contraction to expansion with the accelerate expansion at late times. The fine-tuned Friedman-Robertson-Walker singular solution is a particular limiting case at the boundary of existence of regular oscillating soluti...
MACROSCOPIC DIVERSITY FOR CDMA MOBILE SYSTEM
Institute of Scientific and Technical Information of China (English)
Pei Xiaoyan; Hu Jiandong
2002-01-01
A novel system of macroscopic diversity with voting rule in CDMA cellular system is suggested in order to raise the coverage and quality of service of CDMA mobile communication system. The estimation of the impact of macroscopic diversity on performance of CDMA cellular system is analyzed and investigated.
MACROSCOPIC DIVERSITY FOR CDMA MOBILE SYSTEM
Institute of Scientific and Technical Information of China (English)
PeiXiaoyan; HuJiandong
2002-01-01
A novel system of macroscopic diversity with voting rule in CDMA cellular system is suggested in order to raise the coverage and quality of service of CDMA mobile communication system.The estimation of the impact of macroscopic diversity on performance of CDMA cellular system is analyzed and investigated.
Transport properties of topological insulators films and nanowires
Institute of Scientific and Technical Information of China (English)
Liu Yi; Ma Zheng; Zhao Yan-Fei; Meenakshi Singh; Wang Jian
2013-01-01
The last several years have witnessed the rapid developments in the study and understanding of topological insulators.In this review,after a brief summary of the history of topological insulators,we focus on the recent progress made in transport experiments on topological insulator films and nanowires.Some quantum phenomena,including the weak antilocalization,the Aharonov-Bohm effect,and the Shubnikov-de Haas oscillations,observed in these nanostructures are described.In addition,the electronic transport evidence of the superconducting proximity effect as well as an anomalous resistance enhancement in topological insulator/superconductor hybrid structures is included.
Institute of Scientific and Technical Information of China (English)
QIU Xiang
2006-01-01
Turbulence structures and turbulent Counter-Gradient Transport(CGT) properties in the stratified flows with a sharp temperature interface are investigated by experimental measurements using LIF and PIV, by LES and by correlation analysis.
CSIR Research Space (South Africa)
Adekunle, AS
2010-06-01
Full Text Available This work describes the electron transport and electrocatalytic properties of chemically-synthesized nickel (Ni) and nickel oxide (NiO) nanoparticles supported on multi-walled carbon nanotubes (MWCNT) platforms. Successful modification...
Magnetic and Transport Properties of Ferromagnetic Semiconductor GaDyN Thin Film
Institute of Scientific and Technical Information of China (English)
LI Xi-Jun; ZHOU YI-Kai; KIM M.; KIMURA S.; TERAGUCHI N.; EMURA S.; HASEGAWA S.; ASAHI H.
2005-01-01
@@ Magnetic properties and temperature dependence of electrical transport properties of rare-earth-metal Dy-doped GaN thin film are experimentally studied with a superconducting quantum interference device magnetometer and van der Pauw method. It was found that this thin nitride film has both semiconductor properties and ferromagnetism from 10K to room temperature. The dopant-band (conducting band due to doping) electron conduction dominates the transport properties of this film at low temperatures. These results indicate that Dy-doped GaN is an n-type ferromagnetic semiconductor at room temperature.
Physicochemical properties and transport of steroids across Caco-2 cells
Faassen, F.; Kelder, J.; Lenders, J.; Onderwater, R.; Vromans, H.
2003-01-01
Purpose. The purpose of this work was to study the relevant physicochemical properties for the absorption of steroids. Methods. Various physicochemical properties of steroids were calculated (molecular weight, ClogP, static polar surface area [PSA], etc.). Within this series of steroids, different p
Direct method for calculating temperature-dependent transport properties
Liu, Y.; Yuan, Z.; Wesselink, R.J.H.; Starikov, A.A.; Schilfgaarde, van M.; Kelly, P.J.
2015-01-01
We show how temperature-induced disorder can be combined in a direct way with first-principles scattering theory to study diffusive transport in real materials. Excellent (good) agreement with experiment is found for the resistivity of Cu, Pd, Pt (and Fe) when lattice (and spin) disorder are calcula
A macroscopic model of traffic jams in axons.
Kuznetsov, A V; Avramenko, A A
2009-04-01
The purpose of this paper is to develop a minimal macroscopic model capable of explaining the formation of traffic jams in fast axonal transport. The model accounts for the decrease of the number density of positively (and negatively) oriented microtubules near the location of the traffic jam due to formation of microtubule swirls; the model also accounts for the reduction of the effective velocity of organelle transport in the traffic jam region due to organelles falling off microtubule tracks more often in the swirl region. The model is based on molecular-motor-assisted transport equations and the hydrodynamic model of traffic jams in highway traffic. Parametric analyses of the model's predictions for various values of viscosity of the traffic flow, variance of the velocity distribution, diffusivity of microtubule-bound and free organelles, rate constants for binding to and detachment from microtubules, relaxation time, and average motor velocities of the retrograde and anterograde transport, are carried out.
Investigation of mass transport properties of microfibrillated cellulose (MFC) films
DEFF Research Database (Denmark)
Minelli, Matteo; Baschetti, Marco Giacinti; Doghieri, Ferruccio
2010-01-01
sorption experiments confirmed the hydrophilic character of these cellulosic materials and showed a dual effect of glycerol which reduced the water uptake at low water activity while enhancing it at high relative humidity. The water diffusion in dry samples was remarkably slow for a porous material...... was observed in permeation experiments. Dry MFC films showed excellent oxygen barrier properties; however, a dramatic decrease in these properties was observed when the water content in the samples was increased....
Understanding hopping transport and thermoelectric properties of conducting polymers
Ihnatsenka, S.; Crispin, X.; Zozoulenko, I. V.
2015-07-01
We calculate the conductivity σ and the Seebeck coefficient S for the phonon-assisted hopping transport in conducting polymers poly(3,4-ethylenedioxythiophene) or PEDOT, experimentally studied by Bubnova et al. [J. Am. Chem. Soc. 134, 16456 (2012)], 10.1021/ja305188r. We use the Monte Carlo technique as well as the semianalytical approach based on the transport energy concept. We demonstrate that both approaches show a good qualitative agreement for the concentration dependence of σ and S . At the same time, we find that the semianalytical approach is not in a position to describe the temperature dependence of the conductivity. We find that both Gaussian and exponential density of states (DOS) reproduce rather well the experimental data for the concentration dependence of σ and S giving similar fitting parameters of the theory. The obtained parameters correspond to a hopping model of localized quasiparticles extending over 2-3 monomer units with typical jumps over a distance of 3-4 units. The energetic disorder (broadening of the DOS) is estimated to be 0.1 eV. Using the Monte Carlo calculation we reproduce the activation behavior of the conductivity with the calculated activation energy close to the experimentally observed one. We find that for a low carrier concentration a number of free carriers contributing to the transport deviates strongly from the measured oxidation level. Possible reasons for this behavior are discussed. We also study the effect of the dimensionality on the charge transport by calculating the Seebeck coefficient and the conductivity for the cases of three-, two-, and one-dimensional motion.
Rank distributions: A panoramic macroscopic outlook
Eliazar, Iddo I.; Cohen, Morrel H.
2014-01-01
This paper presents a panoramic macroscopic outlook of rank distributions. We establish a general framework for the analysis of rank distributions, which classifies them into five macroscopic "socioeconomic" states: monarchy, oligarchy-feudalism, criticality, socialism-capitalism, and communism. Oligarchy-feudalism is shown to be characterized by discrete macroscopic rank distributions, and socialism-capitalism is shown to be characterized by continuous macroscopic size distributions. Criticality is a transition state between oligarchy-feudalism and socialism-capitalism, which can manifest allometric scaling with multifractal spectra. Monarchy and communism are extreme forms of oligarchy-feudalism and socialism-capitalism, respectively, in which the intrinsic randomness vanishes. The general framework is applied to three different models of rank distributions—top-down, bottom-up, and global—and unveils each model's macroscopic universality and versatility. The global model yields a macroscopic classification of the generalized Zipf law, an omnipresent form of rank distributions observed across the sciences. An amalgamation of the three models establishes a universal rank-distribution explanation for the macroscopic emergence of a prevalent class of continuous size distributions, ones governed by unimodal densities with both Pareto and inverse-Pareto power-law tails.
Wang, Yu-Fu; Barrera, Carlos M; Dauer, Edward A; Gu, Weiyong; Andreopoulos, Fotios; Huang, C-Y Charles
2017-01-01
One of the key challenges in porous scaffold design is to create a porous structure with desired mechanical function and mass transport properties which support delivery of biofactors and development of function tissue substitute. In recent years, polyurethane (PU) has become one of the most popular biomaterials in various tissue engineering fields. However, there are no studies fully investigating the relations between porosity and both mass transport and mechanical properties of PU porous scaffolds. In this paper, we fabricated PU scaffolds by combining phase inversion and salt (sodium chloride) leaching methods. The tensile and compressive moduli were examined on PU scaffolds fabricated with different PU concentrations (25%, 20% and 15% w/v) and salt/PU weight ratios (9/1, 6/1, 3/1 and 0/1). The mass transport properties of PU scaffolds including hydraulic permeability and glucose diffusivity were also measured. Furthermore, the relationships between the porosity and mass transport and mechanical properties of porous PU scaffold were systemically investigated. The results demonstrated that porosity is a key parameter which governs both mass transport and mechanical properties of porous PU scaffolds. With similar pore sizes, the mass transport and mechanical properties of porous PU scaffold can be described as single functions of porosity regardless of initial PU concentration. The relationships between scaffold porosity and properties can be utilized to facilitate porous PU scaffold fabrication with specific mass transport and mechanical properties. The systematic approach established in this study can be applied to characterization of other biomaterials for scaffold design and fabrication.
Thermodynamical and microscopic properties of turbulent transport in the edge plasma
Ghendrih, Ph; Norscini, C.; Hasenbeck, F.; Dif-Pradalier, G.; Abiteboul, J.; Cartier-Michaud, T.; Garbet, X.; Grandgirard, V.; Marandet, Y.; Sarazin, Y.; Tamain, P.; Zarzoso, D.
2012-12-01
Edge plasma turbulence modelled with 2D interchange is shown to exhibit convective transport at the microscale level. This transport property is related to avalanche like transport in such a flux-driven system. Correlation functions and source modulation are used to analyse the transport properties but do not allow one to recover the Fick law that must characterise the system at large scales. Coarse graining is then introduced to average out the small scales in order to recover the Fick law. One finds that the required space averaging is comparable to the system size while the time averaging is comparable to the confinement time. The system is then reduced to a single reservoir such that transport is characterised by a single scalar, either the diffusion coefficient of the Fick law or a characteristic evolution time constant.
The effect of mucolytic agents on the rheologic and transport properties of canine tracheal mucus.
Martin, R; Litt, M; Marriott, C
1980-03-01
The effect of several sulfhydryl and other agents on the rheologic and mucociliary transport properties of a model secretion, reconstituted canine tracheal mucus, was investigated. The mucus was obtained via the canine tracheal pouch. Rheologic properties were determined by mirorheometry, and the ciliary transport rate was determined using the frog palate technique. It was found that N-acetyl cysteine decreased the elastic modulus, leading to improved mucociliary transport at concentrations such that the mucin did not precipitate. S-carboxymethyl cysteine had no effect on either mucus properties or mucociliary transport rate, and its reported effectiveness in vivo must be due to some mechanism other than solubilization of mucin. Similar results were found with other blocked sulfhydryl compounds. Urea and potassium iodide to decrease mucus elasticity, but are harmful to cilia at the concentrations needed.
Influence of deformation on the fluid transport properties of salt rocks
Peach, C.J.
1991-01-01
While the fluid transport properties of rocks are well understood under hydrostatic conditions, little is known regarding these properties in rocks undergoing crystal plastic deformation. However, such data are needed as input in the field of radioactive waste disposal in salt formations. They are a
Influence of deformation on the fluid transport properties of salt rocks
Peach, C.J.
1991-01-01
While the fluid transport properties of rocks are well understood under hydrostatic conditions, little is known regarding these properties in rocks undergoing crystal plastic deformation. However, such data are needed as input in the field of radioactive waste disposal in salt formations. They are a
Searching for the nanoscopic–macroscopic boundary
Energy Technology Data Exchange (ETDEWEB)
Velásquez, E.A. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Grupo de Investigación en Modelamiento y Simulación Computacional, Universidad de San Buenaventura Sec. Medellín, A.A. 5222, Medellín (Colombia); Altbir, D. [Departamento de Física, Universidad de Santiago de Chile (USACH), CEDENNA, Santiago (Chile); Mazo-Zuluaga, J. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Duque, L.F. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Grupo de Física Teórica, Aplicada y Didáctica, Facultad de Ciencias Exactas y Aplicadas Instituto Tecnológico Metropolitano, Medellín (Colombia); Mejía-López, J., E-mail: jmejia@puc.cl [Facultad de Física, Pontificia Universidad Católica de Chile, CEDENNA, Santiago (Chile)
2013-12-15
Several studies have focused on the size-dependent properties of elements, looking for a unique definition of the nanoscopic–macroscopic boundary. By using a novel approach consisting of an energy variational method combined with a quantum Heisenberg model, here we address the size at which the ordering temperature of a magnetic nanoparticle reaches its bulk value. We consider samples with sizes in the range 1–500 nm, as well as several geometries and crystalline lattices and observe that, contrarily to what is commonly argued, the nanoscopic-microscopic boundary depends on both factors: shape and crystalline structure. This suggests that the surface-to-volume ratio is not the unique parameter that defines the behavior of a nanometric sample whenever its size increases reaching the bulk dimension. Comparisons reveal very good agreement with experimental evidence with differences less than 2%. Our results have broad implications for practical issues in measurements on systems at the nanometric scale. - Highlights: • A novel quantum-Heisenberg variational energy method is implemented. • The asymptotic behavior toward the thermodynamic limit is explored. • An important dependence of the nano-bulk boundary on the geometry is found. • And also an important dependence on the crystalline lattice. • We obtain a very good agreement with experimental evidence with differences <2%.
Distributivity breaking and macroscopic quantum games
Grib, A A; Parfionov, G N; Starkov, K A
2005-01-01
Examples of games between two partners with mixed strategies, calculated by the use of the probability amplitude as some vector in Hilbert space are given. The games are macroscopic, no microscopic quantum agent is supposed. The reason for the use of the quantum formalism is in breaking of the distributivity property for the lattice of yes-no questions arising due to the special rules of games. The rules of the games suppose two parts: the preparation and measurement. In the first part due to use of the quantum logical orthocomplemented non-distributive lattice the partners freely choose the wave functions as descriptions of their strategies. The second part consists of classical games described by Boolean sublattices of the initial non-Boolean lattice with same strategies which were chosen in the first part. Examples of games for spin one half are given. New Nash equilibria are found for some cases. Heisenberg uncertainty relations without the Planck constant are written for the "spin one half game".
Microsphere-chain waveguides: Focusing and transport properties
Energy Technology Data Exchange (ETDEWEB)
Allen, Kenneth W., E-mail: kallen62@uncc.edu; Astratov, Vasily N., E-mail: astratov@uncc.edu [Department of Physics and Optical Science, Center for Optoelectronics and Optical Communications, University of North Carolina at Charlotte, Charlotte, North Carolina 28223-0001 (United States); Air Force Research Laboratory, Sensors Directorate, Wright Patterson AFB, Ohio 45433 (United States); Darafsheh, Arash; Abolmaali, Farzaneh [Department of Physics and Optical Science, Center for Optoelectronics and Optical Communications, University of North Carolina at Charlotte, Charlotte, North Carolina 28223-0001 (United States); Mojaverian, Neda; Limberopoulos, Nicholaos I. [Air Force Research Laboratory, Sensors Directorate, Wright Patterson AFB, Ohio 45433 (United States); Lupu, Anatole [Institut d' Electronique Fondamentale, UMR 8622 CNRS, Universite Paris-Sud XI, 91405 Orsay (France)
2014-07-14
It is shown that the focusing properties of polystyrene microsphere-chain waveguides (MCWs) formed by sufficiently large spheres (D ≥ 20λ, where D is the sphere diameter and λ is the wavelength of light) scale with the sphere diameter as predicted by geometrical optics. However, this scaling behavior does not hold for mesoscale MCWs with D ≤ 10λ resulting in a periodical focusing with gradually reducing beam waists and in extremely small propagation losses. The observed effects are related to properties of nanojet-induced and periodically focused modes in such structures. The results can be used for developing focusing microprobes, laser scalpels, and polarization filters.
Joyce, D C; Cramer, G R; Reid, M S; Bennett, A B
1988-12-01
Calcium transport into tomato (Lycopersicon esculentum Mill, cv Castlemart) fruit tonoplast vesicles was studied. Calcium uptake was stimulated approximately 10-fold by MgATP. Two ATP-dependent Ca(2+) transport activities could be resolved on the basis of sensitivity to nitrate and affinity for Ca(2+). A low affinity Ca(2+) uptake system (K(m) > 200 micromolar) was inhibited by nitrate and ionophores and is thought to represent a tonoplast localized H(+)/Ca(2+) antiport. A high affinity Ca(2+) uptake system (K(m) = 6 micromolar) was not inhibited by nitrate, had reduced sensitivity to ionophores, and appeared to be associated with a population of low density endoplasmic reticulum vesicles that contaminated the tonoplast-enriched membrane fraction. Arrhenius plots of the temperature dependence of Ca(2+) transport in tomato membrane vesicles showed a sharp increase in activation energy at temperatures below 10 to 12 degrees C that was not observed in red beet membrane vesicles. This low temperature effect on tonoplast Ca(2+)/H(+) antiport activity could only by partially ascribed to an effect of low temperature on H(+)-ATPase activity, ATP-dependent H(+) transport, passive H(+) fluxes, or passive Ca(2+) fluxes. These results suggest that low temperature directly affects Ca(2+)/H(+) exchange across the tomato fruit tonoplast, resulting in an apparent change in activation energy for the transport reaction. This could result from a direct effect of temperature on the Ca(2+)/H(+) exchange protein or by an indirect effect of temperature on lipid interactions with the Ca(2+)/H(+) exchange protein.
Transport Properties of III-N Hot Electron Transistors
Suntrup, Donald J., III
Unipolar hot electron transistors (HETs) represent a tantalizing alternative to established bipolar transistor technologies. During device operation electrons are injected over a large emitter barrier into the base where they travel along the device axis with very high velocity. Upon arrival at the collector barrier, high-energy electrons pass over the barrier and contribute to collector current while low-energy electrons are quantum mechanically reflected back into the base. Designing the base with thickness equal to or less than the hot electron mean free path serves to minimize scattering events and thus enable quasi-ballistic operation. Large current gain is achieved by increasing the ratio of transmitted to reflected electrons. Although III-N HETs have undergone substantial development in recent years, there remain ample opportunities to improve key device metrics. In order to engineer improved device performance, a deeper understanding of the operative transport physics is needed. Fortunately, the HET provides fertile ground for studying several prominent electron transport phenomena. In this thesis we present results from several studies that use the III-N HET as both emitter and analyzer of hot electron momentum states. The first provides a measurement of the hot electron mean free path and the momentum relaxation rate in GaN; the second relies on a new technique called electron injection spectroscopy to investigate the effects of barrier height inhomogeneity in the emitter. To supplement our analysis we develop a comprehensive theory of coherent electron transport that allows us to model the transfer characteristics of complex heterojunctions. Such a model provides a theoretical touchstone with which to compare our experimental results. While these studies are of potential interest in their own right, we interpret the results with an eye toward improving next-generation device performance.
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.
Xiang, Hong Wei
2005-01-01
The corresponding-states principle helps the understanding and calculating of thermodynamic, transport, and surface properties of substances in various states, required by our modern lifestyle. The Corresponding-States Principle and its Practice: Thermodynamic, Transport and Surface Properties of Fluids describes the origins and applications of the principle from a universal point of view with comparisons to experimental data where possible. It uses the universal theory to explain present theories. Emphasis is on the properties of pure systems, and the corresponding-states theory can also be e
Optical and transport properties of complex molecular systems
2009-01-01
Esta Tesis presenta el estudio de las propiedades ópticas y de transporte de sistemas de baja dimensionalidad a través de modelos de enlace fuerte. Nuestro trabajo se centra en dos tipos de sistemas: agregados moleculares lineales y moléculas de ADN.En los Capítulos 2, 3 y 4 se estudian las propiedades de localización de un Hamiltoniano de Frenkel desordenado unidimensional. El desorden se introduce en las energías de sitio y es correlacionado de largo alcance. Para correlaciones fuertes, se ...
Electronic transport properties of graphene doped by gallium
Mach, J.; Procházka, P.; Bartošík, M.; Nezval, D.; Piastek, J.; Hulva, J.; Švarc, V.; Konečný, M.; Kormoš, L.; Šikola, T.
2017-10-01
In this work we present the effect of low dose gallium (Ga) deposition (graphene grown by chemical vapor deposition. In situ graphene transport measurements performed with a graphene field-effect transistor structure show that at low Ga coverages a graphene layer tends to be strongly n-doped with an efficiency of 0.64 electrons per one Ga atom, while the further deposition and Ga cluster formation results in removing electrons from graphene (less n-doping). The experimental results are supported by the density functional theory calculations and explained as a consequence of distinct interaction between graphene and Ga atoms in case of individual atoms, layers, or clusters.
Indian Academy of Sciences (India)
ZIRAN CHEN; ZHANRONG HE; YOUHUI XU; WENHAO YU
2017-09-01
Charge transport rate is one of the key parameters determining the performance of organic electronic devices. In this paper, we used density functional theory (DFT) at the M06-2X/6−31+G(d) level to compute the charge transport rates of nine coronene topological structures. The results show that the energy gap of these nine coronene derivatives is in the range 2.90–3.30 eV, falling into the organic semiconductor category. The size of the conjugate ring has a large influence on the charge transport properties. Incorporation of methyl groupson the rigid core of tetrabenzocoronene and hexabenzocoronene is more conducive to the hole transport of the molecule than incorporating methoxyl groups. The derivatisation of a ‘long plate-like’ coronene with methoxylgroups facilitates both hole and electron transport. This class of molecules can thus be used in the design of ambipolar transport semiconductor materials.
Directory of Open Access Journals (Sweden)
Arcady Zhukov
2017-02-01
Full Text Available We overviewed the correlation between the structure, magnetic and transport properties of magnetic microwires prepared by the Taylor-Ulitovsky method involving rapid quenching from the melt and drawing of the composite (metallic core, glass coated wire. We showed that this method can be useful for the preparation of different families of magnetic microwires: soft magnetic microwires displaying Giant magnetoimpedance (GMI effect, semi-hard magnetic microwires, microwires with granular structure exhibiting Giant Magnetoresistance (GMR effect and Heusler-type microwires. Magnetic and transport properties of magnetic microwires depend on the chemical composition of metallic nucleus and on the structural features (grain size, precipitating phases of prepared microwires. In all families of crystalline microwires, their structure, magnetic and transport properties are affected by internal stresses induced by the glass coating, depending on the quenching rate. Therefore, properties of glass-coated microwires are considerably different from conventional bulk crystalline alloys.
Studies of Transport Properties of Fractures: Final Report
Energy Technology Data Exchange (ETDEWEB)
Stephen R. Brown
2006-06-30
We proposed to study several key factors controlling the character and evolution of fracture system permeability and transport processes. We suggest that due to surface roughness and the consequent channeling in single fractures and in fracture intersections, the tendency of a fracture system to plug up, remain permeable, or for permeability to increase due to chemical dissolution/precipitation conditions will depend strongly on the instantaneous flow channel geometry. This geometry will change as chemical interaction occurs, thus changing the permeability through time. To test this hypothesis and advance further understanding toward a predictive capability, we endeavored to physically model and analyze several configurations of flow and transport of inert and chemically active fluids through channels in single fractures and through fracture intersections. This was an integrated program utilizing quantitative observations of fractures and veins in drill core, quantitative and visual observations of flow and chemical dissolution and precipitation within replicas of real rough-walled fractures and fracture intersections, and numerical modeling via lattice Boltzmann methods.
Electrical Transport Properties of Polymorphic MoS2.
Kim, Jun Suk; Kim, Jaesu; Zhao, Jiong; Kim, Sungho; Lee, Jin Hee; Jin, Youngjo; Choi, Homin; Moon, Byoung Hee; Bae, Jung Jun; Lee, Young Hee; Lim, Seong Chu
2016-08-23
The engineering of polymorphs in two-dimensional layered materials has recently attracted significant interest. Although the semiconducting (2H) and metallic (1T) phases are known to be stable in thin-film MoTe2, semiconducting 2H-MoS2 is locally converted into metallic 1T-MoS2 through chemical lithiation. In this paper, we describe the observation of the 2H, 1T, and 1T' phases coexisting in Li-treated MoS2, which result in unusual transport phenomena. Although multiphase MoS2 shows no transistor-gating response, the channel resistance decreases in proportion to the temperature, similar to the behavior of a typical semiconductor. Transmission electron microscopy images clearly show that the 1T and 1T' phases are randomly distributed and intervened with 2H-MoS2, which is referred to as the 1T and 1T' puddling phenomenon. The resistance curve fits well with 2D-variable range-hopping transport behavior, where electrons hop over 1T domains that are bounded by semiconducting 2H phases. However, near 30 K, electrons hop over charge puddles. The large temperature coefficient of resistance (TCR) of multiphase MoS2, -2.0 × 10(-2) K(-1) at 300 K, allows for efficient IR detection at room temperature by means of the photothermal effect.
Directory of Open Access Journals (Sweden)
Le Bescop P.
2013-07-01
Full Text Available Within the context of long-lived intermediate level radioactive waste geological disposal, reinforced concrete would be used. In service life conditions, the concrete structures would be subjected to drying and carbonation. Carbonation relates to the reaction between carbon dioxide (CO2 and the main hydrates of the cement paste (portlandite and C-S-H. Beyond the fall of the pore solution pH, indicative of steel depassivation, carbonation induces mineralogical and microstructural changes (due to portlandite and C-S-H dissolution and calcium carbonate precipitation. This results in the modification of the transport properties, which can impact the structure durability. Because concrete durability depends on water transport, this study focuses on the influence of carbonation on water transport properties. In fact, the transport properties of sound materials are known but they still remain to be assessed for carbonated ones. An experimental program has been designed to investigate the transport properties in carbonated materials. Four hardened cement pastes, differing in mineralogy, are carbonated in an accelerated carbonation device (in controlled environmental conditions at CO2 partial pressure of about 3%. Once fully carbonated, all the data needed to describe water transport, using a simplified approach, will be evaluated.
Assessments of macroscopicity for quantum optical states
DEFF Research Database (Denmark)
Laghaout, Amine; Neergaard-Nielsen, Jonas Schou; Andersen, Ulrik Lund
2015-01-01
With the slow but constant progress in the coherent control of quantum systems, it is now possible to create large quantum superpositions. There has therefore been an increased interest in quantifying any claims of macroscopicity. We attempt here to motivate three criteria which we believe should...... enter in the assessment of macroscopic quantumness: The number of quantum fluctuation photons, the purity of the states, and the ease with which the branches making up the state can be distinguished. © 2014....
Quantum Bell Inequalities from Macroscopic Locality
Yang, Tzyh Haur; Sheridan, Lana; Scarani, Valerio
2010-01-01
We propose a method to generate analytical quantum Bell inequalities based on the principle of Macroscopic Locality. By imposing locality over binary processings of virtual macroscopic intensities, we establish a correspondence between Bell inequalities and quantum Bell inequalities in bipartite scenarios with dichotomic observables. We discuss how to improve the latter approximation and how to extend our ideas to scenarios with more than two outcomes per setting.
Transport properties of graphene under periodic and quasiperiodic magnetic superlattices
Energy Technology Data Exchange (ETDEWEB)
Lu, Wei-Tao, E-mail: luweitao@lyu.edu.cn [School of Science, Linyi University, 276005 Linyi (China); Institute of Condensed Matter Physics, Linyi University, 276005 Linyi (China); Wang, Shun-Jin [Department of Physics, Sichuan University, 610064 Chengdu (China); Wang, Yong-Long; Jiang, Hua [School of Science, Linyi University, 276005 Linyi (China); Institute of Condensed Matter Physics, Linyi University, 276005 Linyi (China); Li, Wen [School of Science, Linyi University, 276005 Linyi (China)
2013-08-15
We study the transmission of Dirac electrons through the one-dimensional periodic, Fibonacci, and Thue–Morse magnetic superlattices (MS), which can be realized by two different magnetic blocks arranged in certain sequences in graphene. The numerical results show that the transmission as a function of incident energy presents regular resonance splitting effect in periodic MS due to the split energy spectrum. For the quasiperiodic MS with more layers, they exhibit rich transmission patterns. In particular, the transmission in Fibonacci MS presents scaling property and fragmented behavior with self-similarity, while the transmission in Thue–Morse MS presents more perfect resonant peaks which are related to the completely transparent states. Furthermore, these interesting properties are robust against the profile of MS, but dependent on the magnetic structure parameters and the transverse wave vector.
Electrical Transport Properties of Carbon Nanotube Metal-Semiconductor Heterojunction
Talukdar, Keka; Shantappa, Anil
2016-10-01
Carbon nanotubes (CNTs) have been proved to have promising applicability in various fields of science and technology. Their fascinating mechanical, electrical, thermal, optical properties have caught the attention of today’s world. We have discussed here the great possibility of using CNTs in electronic devices. CNTs can be both metallic and semiconducting depending on their chirality. When two CNTs of different chirality are joined together via topological defects, they may acquire rectifying diode property. We have joined two tubes of different chiralities through circumferential Stone-Wales defects and calculated their density of states by nearest neighbor tight binding approximation. Transmission function is also calculated to analyze whether the junctions can be used as electronic devices. Different heterojunctions are modeled and analyzed in this study. Internal stresses in the heterojunctions are also calculated by molecular dynamics simulation.
Electrical transport properties of CaB6
Stankiewicz, Jolanta; Sesé, Javier; Balakrishnan, Geetha; Fisk, Zachary
2014-10-01
We report results from a systematic electron-transport study in a broad temperature range on 12 CaB6 single crystals. None of the crystals were intentionally doped. The different carrier densities observed presumably arise from slight variations in the Ca:B stoichiometry. In these crystals, the variation of the electrical resistivity and of the Hall effect with temperature can be consistently accounted for by the model we propose, in which B-antisite defects (B atom replacing Ca atom) are "amphoteric." The magnetotransport measurements reveal that most of the samples we have studied are close to a metal-insulator transition at low temperatures. The magnetoresistance changes smoothly from negative—for weakly metallic samples—to positive values—for samples in a localized regime.
Low temperature transport properties of pyrolytic graphite sheet
Nakamura, Sachiko; Miyafuji, Daisuke; Fujii, Takenori; Matsui, Tomohiro; Fukuyama, Hiroshi
2017-09-01
We have made thermal and electrical transport measurements of uncompressed pyrolytic graphite sheet (uPGS), a mass-produced thin graphite sheet with various thicknesses between 10 and 100 μ m, at temperatures between 2 and 300 K. Compared to exfoliated graphite sheets like Grafoil, uPGS has much higher conductivities by an order of magnitude because of its high crystallinity confirmed by X-ray diffraction and Raman spectroscopy. This material is advantageous as a thermal link of light weight in a wide temperature range particularly above 60 K where the thermal conductivity is much higher than common thermal conductors such as copper and aluminum alloys. We also found a general relationship between thermal and electrical conductivities in graphite-based materials which have highly anisotropic conductivities. This would be useful to estimate thermal conductance of a cryogenic part made of these materials from its electrical conductance more easily measurable at low temperature.
Bottom-up processing and low temperature transport properties of polycrystalline SnSe
Energy Technology Data Exchange (ETDEWEB)
Ge, Zhen-Hua; Wei, Kaya; Lewis, Hutton [Department of Physics, University of South Florida, Tampa, FL 33620 (United States); Martin, Joshua [Materials Measurement Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Nolas, George S., E-mail: gnolas@usf.edu [Department of Physics, University of South Florida, Tampa, FL 33620 (United States)
2015-05-15
A hydrothermal approach was employed to efficiently synthesize SnSe nanorods. The nanorods were consolidated into polycrystalline SnSe by spark plasma sintering for low temperature electrical and thermal properties characterization. The low temperature transport properties indicate semiconducting behavior with a typical dielectric temperature dependence of the thermal conductivity. The transport properties are discussed in light of the recent interest in this material for thermoelectric applications. The nanorod growth mechanism is also discussed in detail. - Graphical abstract: SnSe nanorods were synthesized by a simple hydrothermal method through a bottom-up approach. Micron sized flower-like crystals changed to nanorods with increasing hydrothermal temperature. Low temperature transport properties of polycrystalline SnSe, after SPS densification, were reported for the first time. This bottom-up synthetic approach can be used to produce phase-pure dense polycrystalline materials for thermoelectrics applications. - Highlights: • SnSe nanorods were synthesized by a simple and efficient hydrothermal approach. • The role of temperature, time and NaOH content was investigated. • SPS densification allowed for low temperature transport properties measurements. • Transport measurements indicate semiconducting behavior.
Microscopic versus macroscopic approaches to non-equilibrium systems
Derrida, Bernard
2011-01-01
The one-dimensional symmetric simple exclusion process (SSEP) is one of the very few exactly soluble models of non-equilibrium statistical physics. It describes a system of particles which diffuse with hard core repulsion on a one-dimensional lattice in contact with two reservoirs of particles at unequal densities. The goal of this paper is to review the two main approaches which lead to the exact expression of the large deviation functional of the density of the SSEP in its steady state: a microscopic approach (based on the matrix product ansatz and an additivity property) and a macroscopic approach (based on the macroscopic fluctuation theory of Bertini, De Sole, Gabrielli, Jona-Lasinio and Landim).
Paéz-García, Catherine Teresa; Valdés-Parada, Francisco J.; Lasseux, Didier
2017-02-01
Modeling flow in porous media is usually focused on the governing equations for mass and momentum transport, which yield the velocity and pressure at the pore or Darcy scales. However, in many applications, it is important to determine the work (or power) needed to induce flow in porous media, and this can be achieved when the mechanical energy equation is taken into account. At the macroscopic scale, this equation may be postulated to be the result of the inner product of Darcy's law and the seepage velocity. However, near the porous medium boundaries, this postulate seems questionable due to the spatial variations of the effective properties (velocity, permeability, porosity, etc.). In this work we derive the macroscopic mechanical energy equation using the method of volume averaging for the simple case of incompressible single-phase flow in porous media. Our analysis shows that the result of averaging the pore-scale version of the mechanical energy equation at the Darcy scale is not, in general, the expected product of Darcy's law and the seepage velocity. As a matter of fact, this result is only applicable in the bulk region of the porous medium and, in the derivation of this result, the properties of the permeability tensor are determinant. Furthermore, near the porous medium boundaries, a more novel version of the mechanical energy equation is obtained, which incorporates additional terms that take into account the rapid variations of structural properties taking place in this particular portion of the system. This analysis can be applied to multiphase and compressible flows in porous media and in many other multiscale systems.
Armaković, Stevan; Armaković, Sanja J.
2016-11-01
In this work we investigated optoelectronic properties of graphene nanoparticles and transport properties of graphene nanosheets and the consequences on these properties after modifications with boron atoms. Within the framework of density functional theory (DFT) several important optoelectronic quantities have been calculated for graphene nanoparticles: oxidation and reduction potentials, hole and electron reorganization energies, while thermally activated delayed fluorescence was assessed by calculations of energy separation between the lowest excited singlet (S1) and triplet (T1) state, Δ E (S1 -T1) . Obtained results show that optoelectronic properties of graphene nanoparticles are significantly improved by the modification with boron atoms and that investigated structures can be considered as a promising organic light emitting diode (OLED) materials. Influence of boron atoms to charge and heat transport properties of graphene nanosheets was investigated as well, employing the self-consistent non-equilibrium Green's functions with DFT. On the other side it is shown that charge transport of graphene nanosheets is not influenced by the introduction of boron atoms, while influence to the phonon subsystem is minimal.
Correlating substituent parameter values to electron transport properties of molecules
Vedova-Brook, Natalie; Matsunaga, Nikita; Sohlberg, Karl
2004-03-01
There are a vast number of organic compounds that could be considered for use in molecular electronics. Because of this, the need for efficient and economical screening tools has emerged. We demonstrate that the substituent parameter values ( σ), commonly found in advanced organic chemistry textbooks, correlate strongly with features of the charge migration process, establishing them as useful indicators of electronic properties. Specifically, we report that ab initio derived electronic charge transfer values for 16 different substituted aromatic molecules for molecular junctions correlate to the σ values with a correlation coefficient squared ( R2) of 0.863.
Magnetic colloid by PLA: Optical, magnetic and thermal transport properties
Pandey, B. K.; Shahi, A. K.; Gopal, Ram
2015-08-01
Ferrofluids of cobalt and cobalt oxide nanoparticles (NPs) have been successfully synthesized using liquid phase-pulse laser ablation (LP-PLA) in ethanol and double distilled water, respectively. The mechanism of laser ablation in liquid media and formation process for Co target in double distilled water (DDW) and ethanol are speculated based on the reactions between laser generated highly nascent cobalt species and vaporized solvent media in a confined high temperature and pressure at the plume-surrounding liquid interface region. Optical absorption, emission, vibrational and rotational properties have been investigated using UV-vis absorption, photoluminescence (PL) and Fourier transform-infra red (FT-IR) spectroscopy, respectively. In this study optical band gap of cobalt oxide ferrofluids has been engineered using different pulse energy of Nd:YAG laser in the range of (2.80-3.60 eV). Vibrating sample magnetometer (VSM) is employed to determine the magnetic properties of ferrofluids of cobalt and cobalt oxide NPs while their thermal conductivities are examined using rotating disc method. Ferrofluids have gained enormous curiosity due to many technological applications, i.e. drug delivery, coolant and heating purposes.
Transport properties of stripe-ordered high Tc cuprates
Jie, Qing; Han, Su Jung; Dimitrov, Ivo; Tranquada, J. M.; Li, Qiang
2012-11-01
Transport measurements provide important characterizations of the nature of stripe order in the cuprates. Initial studies of systems such as La1.6-xNd0.4SrxCuO4 demonstrated the strong anisotropy between in-plane and c-axis resistivities, but also suggested that stripe order results in a tendency towards insulating behavior within the planes at low temperature. More recent work on La2-xBaxCuO4 with x = 1/8 has revealed the occurrence of quasi-two-dimensional superconductivity that onsets with spin-stripe order. The suppression of three-dimensional superconductivity indicates a frustration of the interlayer Josephson coupling, motivating a proposal that superconductivity and stripe order are intertwined in a pair-density-wave state. Complementary characterizations of the low-energy states near the Fermi level are provided by measurements of the Hall and Nernst effects, each revealing intriguing signatures of stripe correlations and ordering. We review and discuss this work.
Spin-polarized quantum transport properties through flexible phosphorene
Chen, Mingyan; Yu, Zhizhou; Xie, Yiqun; Wang, Yin
2016-10-01
We report a first-principles study on the tunnel magnetoresistance (TMR) and spin-injection efficiency (SIE) through phosphorene with nickel electrodes under the mechanical tension and bending on the phosphorene region. Both the TMR and SIE are largely improved under these mechanical deformations. For the uniaxial tension (ɛy) varying from 0% to 15% applied along the armchair transport (y-)direction of the phosphorene, the TMR ratio is enhanced with a maximum of 107% at ɛy = 10%, while the SIE increases monotonously from 8% up to 43% with the increasing of the strain. Under the out-of-plane bending, the TMR overall increases from 7% to 50% within the bending ratio of 0%-3.9%, and meanwhile the SIE is largely improved to around 70%, as compared to that (30%) of the flat phosphorene. Such behaviors of the TMR and SIE are mainly affected by the transmission of spin-up electrons in the parallel configuration, which is highly dependent on the applied mechanical tension and bending. Our results indicate that the phosphorene based tunnel junctions have promising applications in flexible electronics.
Transport properties and Stokes-Einstein relation in Al-rich liquid alloys
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.
Study on the Electronic Transport Properties of Zigzag GaN Nanotubes
Energy Technology Data Exchange (ETDEWEB)
Li Enling; Wang Xiqiang; Hou Liping; Zhao Danna; Dai Yuanbin [Sciences School, Xi' an University of Technology, Xi' an, China 710054 (China); Wang Xuewen [Electronic Information Science and Technology, Northwest University, Xi' an, China 710068 (China)
2011-02-01
The electronic transport properties of zigzag GaN nanotubes (n, 0) (4 {<=} n {<=} 9) have been calculated using the density functional theory and non-equilibrium Green's functions method. Firstly, the density functional theory (DFT) is used to optimize and calculate the electronic structure of GaNNTs (n, 0) (4{<=}n{<=}9). Secondly, DFT and non-equilibrium Green function (NEGF) method are also used to predict the electronic transport properties of GaNNTs two-probe system. The results showed: there is a corresponding relation between the electronic transport properties and the valley of state density of each GaNNT. In addition, the volt-ampere curve of GaNNT is approximately linear.
Transport properties of iron-porphyrin molecule sandwiched between Au surfaces
Energy Technology Data Exchange (ETDEWEB)
Kondo, Hisashi [Institute of Industrial Science, University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505 (Japan); CMSC, National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan)], E-mail: KONDO.Hisashi@nims.go.jp; Kino, Hiori; Nara, Jun [CMSC, National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Ohno, Takahisa [Institute of Industrial Science, University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505 (Japan); CMSC, National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); MANA, National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan)
2008-09-30
The transport properties of an iron-porphyrin molecule sandwiched between Au(1 1 1) electrodes are investigated using the non-equilibrium Green's function method based on the density functional theory, and in particular, the dependence on a terminal-atom position is studied. We consider four models for terminal-atom positions. It is found that the transport properties of the junction system are very sensitive to a terminal-atom position. We also find that the contribution of the d-orbitals of the Fe atom to the transport properties around the Fermi energy strongly changes, depending on a terminal-atom position. From these results, we propose a suitable terminal-atom position for the molecular sensor discussed in the other paper.
High field transport properties of InAs/AlGaSb quantum wires
Sasa, S.; Sugihara, T.; Tada, K.; Izumiya, S.; Yamamoto, Y.; Inoue, M.
1996-09-01
We demonstrate the successful fabrication of multiple quantum wire structures using InAs/AlGaSb heterostructures and report on their transport properties. We have performed magnetotransport measurements on the various width of the wires ranging between 0.2 and 0.4 μm. One-dimensional transport properties confirmed by magnetic depopulation were observed up to 0.4-μm-wide wires, and the sublevel spacing was as large as 5.9 meV for 0.2-μm-wide wires. This demonstrates the advantageous feature of InAs/AlGaSb heterostructures for realizing quantum devices operating at higher temperatures. High field transport properties also reveal their advantageous features.
Institute of Scientific and Technical Information of China (English)
PING Yun-Xia; CHENG Ze
2006-01-01
We study theoretically transport properties of two-dimensional electron gases through antiparallel magnetic electric barrier structures. Two kinds of magnetic barrier configurations are employed: one is that the strength of the double δ-function in opposite directions is equal and the other is that the strength is unequal. Similarities and differences of electronic transports are presented. It is found that the transmission and the conductance depend strongly on the shape of the magnetic barrier and the height of the electric barrier. The results indicate that this system does not possess any spin filtering and spin polarization and electron gases can realize perfect resonant tunneling and wave-vector filtering properties. Moreover, the strength of the effect of the inhomogeneous magnetic field on the transport properties is discussed.
Tuning of Transport and Magnetic Properties in Epitaxial LaMnO3+δ Thin Films
Directory of Open Access Journals (Sweden)
J. Chen
2014-01-01
Full Text Available The effect of compressive strain on the transport and magnetic properties of epitaxial LaMnO3+δ thin films has been investigated. It is found that the transport and magnetic properties of the LaMnO3+δ thin films grown on the LaAlO3 substrates can be tuned by the compressive strain through varying film thickness. And the insulator-metal transition, charge/orbital ordering transition, and paramagnetic-ferromagnetic transition are suppressed by the compressive strain. Consequently, the related electronic and magnetic transition temperatures decrease with an increase in the compressive strain. The present results can be explained by the strain-controlled lattice deformation and the consequent orbital occupation. It indicates that the lattice degree of freedom is crucial for understanding the transport and magnetic properties of the strongly correlated LaMnO3+δ.
Charge Transport Properties of Tetrabenz[a,c,h,jl-anthracene Derivatives
Institute of Scientific and Technical Information of China (English)
CHEN Zi-Ran; YU Wen-Hao; LI Quan
2012-01-01
Charge transport properties of F, OH, OCH3, SH and SCH3-substituted tetra- benz[a,c,h,j]- anthracene derivative molecules have been investigated theoretically at the B3LYP/6-31G＊＊ level using Marcus theory. The results showed that at 300 K, the hole or electron transport capability of F or SH-substituted molecules was better obviously than that of OH or OCH3-substituted molecules, The electron transport capability of SCH3-substituted and F or SH-substituted molecules was superior to their hole transport capability, respectively. F, SH or SCH3-substituted tetrabenz[a,c,h,j]-anthracene derivative molecules can be used as electron transport materials.
Effect of Cd ions on transport properties of orthomanganites
Troyanchuk, I O; Pastushonok, S N
1998-01-01
Magnetic and magnetotransport measurements have been used to study the compositional dependence of the electronic properties of the solid solutions La sub 0 sub . sub 7 (Pb sub 0 sub . sub 3 sub - sub x Cd sub x)MnO sub 3 and Nd sub 0 sub . sub 7 (Pb sub 0 sub . sub 3 sub - sub x Cd sub x)MnO sub 3. It was found that these compounds are ferromagnets and have the rhombohedrally or orthorhombically distorted perovskite structure. The substitution of Pb ions by Cd leads to the transition from the metallic to the insulating state. The intermediate compositions exhibit two peaks of the resistivity and magnetoresistance. The high-temperature peak is associated with the Curie temperature whereas there is no magnetic anomaly in the temperature interval of the second peak. We suppose that Cd ions participate in the formation of the narrow impurity band limiting the mobility of charge carriers. (author)
Exceptional transport property in a rolled-up germanium tube
Guo, Qinglei; Wang, Gang; Chen, Da; Li, Gongjin; Huang, Gaoshan; Zhang, Miao; Wang, Xi; Mei, Yongfeng; Di, Zengfeng
2017-03-01
Tubular germanium (Ge) resistors are demonstrated by rolling-up thin Ge nanomembranes (NMs, 50 nm in thickness) with electrical contacts. The strain distribution of rolled-up Ge microtubes along the radial direction is investigated and predicted by utilizing micro-Raman scattering spectroscopy with two different excitation lasers. Electrical properties are characterized for both unreleased GeNMs and released/rolled-up Ge microtubes. The conductivities of GeNMs significantly decrease after rolling-up into tubular structures, which can be attributed to surface charging states on the conductance, band bending, and piezo-resistance effect. When illuminated with a light source, facilitated by the suppressed dark current of rolled-up Ge tubes, the corresponding signal-to-noise ratio can be dramatically enhanced compared with that of planar GeNMs.
Electronic transport properties of Ir-decorated graphene.
Wang, Yilin; Xiao, Shudong; Cai, Xinghan; Bao, Wenzhong; Reutt-Robey, Janice; Fuhrer, Michael S
2015-10-28
Graphene decorated with 5d transitional metal atoms is predicted to exhibit many intriguing properties; for example iridium adatoms are proposed to induce a substantial topological gap in graphene. We extensively investigated the conductivity of single-layer graphene decorated with iridium deposited in ultra-high vacuum at low temperature (7 K) as a function of Ir concentration, carrier density, temperature, and annealing conditions. Our results are consistent with the formation of Ir clusters of ~100 atoms at low temperature, with each cluster donating a single electronic charge to graphene. Annealing graphene increases the cluster size, reducing the doping and increasing the mobility. We do not observe any sign of an energy gap induced by spin-orbit coupling, possibly due to the clustering of Ir.
Zou, Dongqing; Zhao, Wenkai; Fang, Changfeng; Cui, Bin; Liu, Desheng
2017-02-01
Using density functional theory combined with nonequilibrium Green's function formalism, we investigate the transport properties of zigzag graphene nanoribbons (ZGNRs) under vertical strain. Our calculations show that localized state induced by vertical strain will inhibit the electronic transport of the systems at zero bias, but at nonzero bias, the localized state can enhance the electronic transport behavior if ZGNRs are symmetry with respect to the mid-plane between two edges. This is because the localized state produces an asymmetry electron density distribution which break the current suppression. These findings may be useful for the application of strain-induced ZGNR based molecular devices.
An overview of heavy oil properties and its recovery and transportation methods
Directory of Open Access Journals (Sweden)
R. G. Santos
2014-09-01
Full Text Available Unconventional oils - mainly heavy oils, extra heavy oils and bitumens - represent a significant share of the total oil world reserves. Oil companies have expressed interest in unconventional oil as alternative resources for the energy supply. These resources are composed usually of viscous oils and, for this reason, their use requires additional efforts to guarantee the viability of the oil recovery from the reservoir and its subsequent transportation to production wells and to ports and refineries. This review describes the main properties of high-viscosity crude oils, as well as compares traditional and emergent methods for their recovery and transportation. The main characteristics of viscous oils are discussed to highlight the oil properties that affect their flowability in the processes of recovery and pipeline transportation. Chemical composition is the starting point for the oil characterization and it has major impact on other properties, including key properties for their dynamics, such as density and viscosity. Next, enhanced oil recovery (EOR methods are presented, followed by a discussion about pipeline and transportation methods. In addition, the main challenges to achieve viable recovery and transportation of unconventional oils are compared for the different alternatives proposed. The work is especially focused on the heavy oils, while other hydrocarbon solid sources, such as oil sands and shale oil, are outside of the scope of this review.
Luojun Du; Hua Yu; Li Xie; Shuang Wu; Shuopei Wang; Xiaobo Lu; Mengzhou Liao; Jianling Meng; Jing Zhao; Jing Zhang; Jianqi Zhu; Peng Chen; Guole Wang; Rong Yang; Dongxia Shi
2016-01-01
Theoretical calculation and experimental measurement have shown that twin grain boundary (GB) of molybdenum disulphide (MoS2) exhibits extraordinary effects on transport properties. Precise transport measurements need to verify the transport mechanism of twin GB in MoS2. Here, monolayer molybdenum disulphide with a twin grain boundary was grown in our developed low-pressure chemical vapor deposition (CVD) system, and we investigated how the twin GB affects the electrical transport properties ...
DEFF Research Database (Denmark)
Shapiro, Alexander
2004-01-01
The theory of transport properties in multicomponent gas and liquid mixtures, which was previously developed for diffusion coefficients, is extended onto thermodiffusion coefficients and heat conductivities. The derivation of the expressions for transport properties is based on the general...... statistical theory of fluctuations around an equilibrium state. The Onsager matrix of phenomenological coefficients is expressed in terms of the penetration lengths, including the newly introduced penetration length for the energy transfer. As an example, this penetration length is found from the known value...... of the heat conductivity coefficient for ideal gas. (C) 2003 Elsevier B.V. All rights reserved....
Electrical transport properties of graphene on SiO2 with specific surface structures
Nagashio, K.; Yamashita, T; Nishimura, T.; K. Kita; Toriumi, A.
2011-01-01
The mobility of graphene transferred on a SiO2/Si substrate is limited to ~10,000 cm2/Vs. Without understanding the graphene/SiO2 interaction, it is difficult to improve the electrical transport properties. Although surface structures on SiO2 such as silanol and siloxane groups are recognized, the relation between the surface treatment of SiO2 and graphene characteristics has not yet been elucidated. This paper discusses the electrical transport properties of graphene on specific surface stru...
Chiral transport of neutrinos in supernovae
Directory of Open Access Journals (Sweden)
Yamamoto Naoki
2017-01-01
Full Text Available The conventional neutrino transport theory for core-collapse supernovae misses one key property of neutrinos: the left-handedness. The chirality of neutrinos modifies the hydrodynamic behavior at the macroscopic scale and leads to topological transport phenomena. We argue that such transport phenomena should play important roles in the evolution of core-collapse supernovae, and, in particular, lead to a tendency toward the inverse energy cascade from small to larger scales, which may be relevant to the origin of the supernova explosion.
Chiral transport of neutrinos in supernovae
Yamamoto, Naoki
2016-01-01
The conventional neutrino transport theory for core-collapse supernovae misses one key property of neutrinos: the left-handedness. The chirality of neutrinos modifies the hydrodynamic behavior at the macroscopic scale and leads to topological transport phenomena. We argue that such transport phenomena should play important roles in the evolution of core-collapse supernovae, and, in particular, lead to a tendency toward the inverse energy cascade from small to larger scales, which may be relevant to the origin of the supernova explosion.
Transport Properties of Complex Oxides: New Ideas and Insights from Theory and Simulation
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.
Oligomers Modulate Interfibril Branching and Mass Transport Properties of Collagen Matrices
Whittington, Catherine F.; Brandner, Eric; Teo, Ka Yaw; Han, Bumsoo; Nauman, Eric; Voytik-Harbin, Sherry L.
2013-01-01
Mass transport within collagen-based matrices is critical to tissue development, repair, and pathogenesis as well as the design of next generation tissue engineering strategies. This work shows how collagen precursors, specified by intermolecular cross-link composition, provide independent control of collagen matrix mechanical and transport properties. Collagen matrices were prepared from tissue-extracted monomers or oligomers. Viscoelastic behavior was measured in oscillatory shear and unconfined compression. Matrix permeability and diffusivity were measured using gravity-driven permeametry and integrated optical imaging, respectively. Both collagen types showed an increase in stiffness and permeability hindrance with increasing collagen concentration (fibril density); however, different physical property-concentration relationships were noted. Diffusivity wasn’t affected by concentration for either collagen type over the range tested. In general, oligomer matrices exhibited a substantial increase in stiffness and only a modest decrease in transport properties when compared to monomer matrices prepared at the same concentration. The observed differences in viscoelastic and transport properties were largely attributed to increased levels of interfibril branching within oligomer matrices. The ability to relate physical properties to relevant microstructure parameters, including fibril density and interfibril branching, is expected to advance the understanding of cell-matrix signaling as well as facilitate model-based prediction and design of matrix-based therapeutic strategies. PMID:23842082
High-field thermal transports properties of REBCO coated conductors
Bonura, M
2015-01-01
The use of REBCO coated conductors is envisaged for many applications, extending from power cables to high-ﬁeld magnets. Whatever the case, thermal properties of REBCO tapes play a key role for the stability of superconducting devices. In this work, we present the ﬁrst study on the longitudinal thermal conductivity (k) of REBCO coated conductors in magnetic ﬁelds up to 19 T applied both parallelly and perpendicularly to the thermal-current direction. Copper-stabilized tapes from six industrial manufacturers have been investigated. We show that zero-ﬁeld k of coated conductors can be calculated with an accuracy of ‡ 15% from the residual resistivity ratio of the stabilizer and the Cu/non-Cu ratio. Measurements performed at high ﬁelds have allowed us to evaluate the consistency of the procedures generally used for estimating in-ﬁeld k in the framework of the Wiedemann-Franz law from an electrical characterization of the materials. In-ﬁeld data are intended to provide primary ingredients for the ...
Structure and transport properties of polymer grafted nanoparticles
Goyal, Sushmit
2011-01-01
We perform molecular dynamics simulations on a bead-spring model of pure polymer grafted nanoparticles (PGNs) and of a blend of PGNs with a polymer melt to investigate the correlation between PGN design parameters (such as particle core concentration, polymer grafting density, and polymer length) and properties, such as microstructure, particle mobility, and viscous response. Constant strain-rate simulations were carried out to calculate viscosities and a constant-stress ensemble was used to calculate yield stresses. The PGN systems are found to have less structural order, lower viscosity, and faster diffusivity with increasing length of the grafted chains for a given core concentration or grafting density. Decreasing grafting density causes depletion effects associated with the chains leading to close contacts between some particle cores. All systems were found to shear thin, with the pure PGN systems shear thinning more than the blend; also, the pure systems exhibited a clear yielding behavior that was absent in the blend. Regarding the mechanism of shear thinning at the high shear rates examined, it was found that the shear-induced decrease of Brownian stresses and increase in chain alignment, both correlate with the reduction of viscosity in the system with the latter being more dominant. A coupling between Brownian stresses and chain alignment was also observed wherein the non-equilibrium particle distribution itself promotes chain alignment in the direction of shear. © 2011 American Institute of Physics.
Magneto-optical transport properties of monolayer WSe2
Tahir, M.; Vasilopoulos, P.
2016-07-01
The recent experimental realization of a high quality WSe2 leads to the possibility of magneto-optical measurements and the manipulation of the spin and valley degrees of freedom. We study the influence of the very strong spin-orbit coupling and of the anisotropic lifting of the valley pseudospin degeneracy on its magnetotransport properties. The energy spectrum of WSe2 is derived and discussed in the presence of a perpendicular magnetic field B . Correspondingly we evaluate the magneto-optical Hall conductivity and the optical longitudinal conductivity as functions of the frequency, magnetic field, and Fermi energy. They are strongly influenced by the field B and the strong spin splitting. The former exhibits valley polarization and the latter beatings of oscillations. The magneto-optical responses can be tuned in two different regimes: the microwave-to-terahertz regime and the visible-frequency one. The absorption peaks involving the n =0 LL appear in between these two regimes and show a magnetic control of the spin and valley splittings. We also evaluate the power absorption spectrum.
Modifying zirconia solid electrolyte surface property to enhance oxide transport
Energy Technology Data Exchange (ETDEWEB)
Liaw, B.Y.; Song, S.Y. [Univ. of Hawaii, Honolulu, HI (United States)
1996-12-31
Bismuth-strontium-calcium-copper oxide (Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}, BSCCO) is known for its high T{sub c} superconducting behavior and mixed conducting property. The applicability of similar high T{sub c} cuprates for intermediate-temperature solid oxide fuel cell (SOFC) application has been studied recently. We investigated the electrochemical behavior of several Ag{vert_bar}BSCCO{vert_bar}10 mol% yttria-stabilized zirconia (YSZ){vert_bar}Ag and Ag{vert_bar}YSZ{vert_bar}Ag cells using complex impedance spectroscopy. A highly uniform and porous microstructure was observed at the interface of the YSZ and BSCCO. The ionic conductivity determined from the Nyquest plots in the temperature range of 200-700{degrees}C agrees with the values reported in the literature. The specific resistance of the BSCCO{vert_bar}YSZ interface was also determined to be lower than those of the conventional manganite electrode, suggesting that BSCCO seems attractive for cathode applications in SOFC.
Investigations of electrical transport properties of individual carbon nanotubes with nanoprober
Feng, Wei; Hayama, Kazumi; Akinaga, Hiroyuki
2016-06-01
We investigated and discussed quantitatively the transport properties of individual multiwalled (MW) carbon nanotubes (CNTs) by four-terminal measurement using a nanoprobing system. The homogeneity of the CNT was visibly examined using the electron beam absorbed current function of the nanoprober. The observed ohmic properties of the current-voltage characteristics and metallic transport properties of the CNTs proved that reliable contact of four probes was achieved on the outermost shell of MWCNTs. The experimental methodology was validated for the intrinsic properties of individual CNTs. Lower resistance per unit length was evaluated for thicker CNT. The measured resistance per unit length was lower than those reported by other researchers, but higher than ideally expected.
Coupled light transport-heat diffusion model for laser dosimetry with dynamic optical properties
Energy Technology Data Exchange (ETDEWEB)
London, R.A.; Glinsky, M.E.; Zimmerman, G.B.; Eder, D.C. [Lawrence Livermore National Lab., CA (United States); Jacques, S.L. [Texas Univ., Houston, TX (United States). M.D. Anderson Cancer Center
1995-03-01
The effect of dynamic optical properties on the spatial distribution of light in laser therapy is studied via numerical simulations. A two-dimensional, time dependent computer program called LATIS is used. Laser light transport is simulated with a Monte Carlo technique including anisotropic scattering and absorption. Thermal heat transport is calculated with a finite difference algorithm. Material properties are specified on a 2-D mesh and can be arbitrary functions of space and time. Arrhenius rate equations are solved for tissue damage caused by elevated temperatures. Optical properties are functions of tissue damage, as determined by previous measurements. Results are presented for the time variation of the light distribution and damage within the tissue as the optical properties of the tissue are altered.
Understanding the Pulsar High Energy Emission: Macroscopic and Kinetic Models
Kalapotharakos, Constantinos; Brambilla, Gabriele; Timokhin, Andrey; Kust Harding, Alice; Kazanas, Demos
2017-08-01
Pulsars are extraordinary objects powered by the rotation of magnetic fields of order 10^8, 10^12G anchored onto neutron stars and rotating with periods 10^(-3)-10s. These fields mediate the conversion of their rotational energy into MHD winds and at the same time accelerate particles to energies sufficiently high to produce GeV photons. Fermi, since its launch in 2008, has established several trends among the observed gamma-ray pulsar properties playing a catalytic role in the current modeling of the high energy emission in pulsar magnetospheres. We judiciously use the guidance provided by the Fermi data to yield meaningful constraints on the macroscopic parameters of our global dissipative pulsar magnetosphere models. Our FIDO (Force-Free Inside, Dissipative Outside) models indicate that the dissipative regions lie outside the light cylinder near the equatorial current sheet. Our models reproduce the light-curve phenomenology while a detailed comparison of the model spectral properties with those observed by Fermi reveals the dependence of the macroscopic conductivity parameter on the spin-down rate providing a unique insight into the understanding of the physical mechanisms behind the high-energy emission in pulsar magnetospheres. Finally, we further exploit these important results by building self-consistent 3D global kinetic particle-in-cell (PIC) models which, eventually, provide the dependence of the macroscopic parameter behavior (e.g. conductivity) on the microphysical properties (e.g. particle multiplicities, particle injection rates). Our PIC models provide field structures and particle distributions that are not only consistent with each other but also able to reproduce a broad range of the observed gamma-ray phenomenology (light curves and spectral properties) of both young and millisecond pulsars.
Formulating gels for decreased mucociliary transport using rheologic properties: Polyacrylic acids
Shah, Ankur J.; Donovan, Maureen D.
2007-01-01
The purpose of these studies was to identify the rheologic properties of polyacrylic acid gels necessary for optimal reductions in mucociliary clearance. The mucociliary transport of 2 bioadhesive polyacrylic acid polymers, polycarbophil and carbopol, was assessed in vitro by measuring their clerance rates across explants of ciliated bovine tracheal tissue. The viscoelastic properties of polymer gels were measured in the presence of mucus using controlled stress rheometry. Combinations of app...
Energy Technology Data Exchange (ETDEWEB)
A.P. Poloski; R.C. Daniel; D.R. Rector; P.R. Bredt; E.C. Buck; Berg, J.C.; Saez, A.E.
2006-09-29
This project had two primary objectives. The first was to understand the physical properties and behavior of select Hanford tank sludges under conditions that might exist during retrieval, treatment, packaging, and transportation for disposal at the Waste Isolation Pilot Plant (WIPP). The second objective was to develop a fundamental understanding of these sludge suspensions by correlating the macroscopic properties with particle interactions occurring at the colloidal scale. The specific tank wastes considered herein are contained in thirteen Hanford tanks including three double-shell tanks (DSTs) (AW-103, AW-105, and SY-102) and ten single-shell tanks (SSTs) (B-201 through B-204, T-201 through T-204, T-110, and T-111). At the outset of the project, these tanks were designated as potentially containing transuranic (TRU) process wastes that would be treated and disposed of in a manner different from the majority of the tank wastes.
Macroscopic optical response and photonic bands
Perez-Huerta, J S; Mendoza, Bernardo S; Mochan, W Luis
2012-01-01
We develop a formalism for the calculation of the macroscopic dielectric response of composite systems made of particles of one material embedded periodically within a matrix of another material, each of which is characterized by a well defined dielectric function. The nature of these dielectric functions is arbitrary, and could correspond to dielectric or conducting, transparent or opaque, absorptive and dispersive materials. The geometry of the particles and the Bravais lattice of the composite are also arbitrary. Our formalism goes beyond the longwavelenght approximation as it fully incorporates retardation effects. We test our formalism through the study the propagation of electromagnetic waves in 2D photonic crystals made of periodic arrays of cylindrical holes in a dispersionless dielectric host. Our macroscopic theory yields a spatially dispersive macroscopic response which allows the calculation of the full photonic band structure of the system, as well as the characterization of its normal modes, upo...
On Macroscopic Complexity and Perceptual Coding
Scoville, John
2010-01-01
While Shannon information establishes limits to the universal data compression of binary data, no existing theory provides an equivalent characterization of the lossy data compression algorithms prevalent in audiovisual media. The current paper proposes a mathematical framework for perceptual coding and inference which quantifies the complexity of objects indistinguishable to a particular observer. A definition of the complexity is presented and related to a generalization of Boltzmann entropy for these equivalence classes. When the classes are partitions of phase space, corresponding to classical observations, this is the proper Boltzmann entropy and the macroscopic complexity agrees with the Algorithmic Entropy. For general classes, the macroscopic complexity measure determines the optimal lossy compression of the data. Conversely, perceptual coding algorithms may be used to construct upper bounds on certain macroscopic complexities. Knowledge of these complexities, in turn, allows perceptual inference whic...
Magnétisme et transport polarisé en spin : de la couche mince aux dispositifs à électronique de spin
Hehn, Michel
2004-01-01
In a first chapter, the microscopic and macroscopic magnetism of systems with reduced lateral dimension are invoked. The magnetic properties of thin films, submicronic dot arrays and self organised nanostructures made of hexagonal cobalt (0001) are studied at the macroscopic and microscopic scale. In this first chapter, recent results obtained in the field area of exchange bias are also summarised. In a second chapter, the tunnel transport in planar magnetic tunnel junctions is invoked and th...
Krasowska, Monika; Strzelewicz, Anna; Rybak, Aleksandra; Dudek, Gabriela; Cieśla, Michał
2016-06-01
Structure and transport properties of ethylcellulose membranes with dispersed magnetic powder were investigated. The study mainly focused on diffusion, which is one of the transport mechanisms. The transport properties depend on many parameters like: polymeric matrix used, type of powder, its amount and granulation. The structure of the pattern formed by magnetic particles in the membrane matrix was studied. Description of the system was based on the phenomenological and molecular (random walk on a fractal lattice) approaches. Two parameters were calculated: the fractal dimension of random walk dw, and the fractal dimension of membrane structure df. The knowledge of both parameters made it possible to use the generalized equation of diffusion on the fractal structure obtained by Metzler et al. The research was carried out to determine the influence of magnetic powder granulation on the transport properties. The results showed that the random walk within the membranes of the smallest magnetic powder granulation was of the most subdiffusive character. Detailed investigation and quantitative description of gas transport through the membranes enables designing the membranes to be used in air oxygen enrichment.
Bernard, M.-L.; Zamora, M.
2012-04-01
Numerous laboratory and theoretical studies on the physical properties of rocks and their relationships - lead mainly in the framework of petroleum exploration - show that rock physics is necessary for an accurate quantitative interpretation of geophysical observations. Moreover joint inversion of different geophysical datasets is emerging as an important tool to enhance resolution and decrease inversion artifacts in imaging of structurally complex areas such as volcanoes. In many cases, the coupling between the inverted parameters is based on empirical or theoretical relationships derived from laboratory data. Consequently rock physics can be used to: interpret simultaneously several geophysical datasets on volcanoes when they are available, improve the imaging of volcano structures, and better understand the coupled processes that can occur during volcanic unrest. It's in this context that we lead a laboratory study on the transport properties (permeability, thermal and electrical conductivities) and seismic properties (velocity and attenuation of P and S waves) of volcanic rocks representative of Montagne Pelée (Martinique) deposits. In this presentation we will focus on (1) the seismic properties and (2) the relations between seismic and transport properties. The 43 samples collected are representative of the main lithological units of this volcano: vesicular lava blocks and indurated ashed from indurated block-and-ash flows also called breccias, vesicular lava blocks from "Pelean nuee ardente" flows, scoriae from scoria flows, pumices from ash-and-pumices flows, and dense lava blocks from lava flows and lava domes. Their total porosity varies over a wide range from 4 to 73%. Since the samples present similar chemical and mineralogical compositions (andesites), the main difference between the samples comes from their pore structure and reflects differences in the mechanisms of magma degassing and vesiculation during their formation (Bernard et al., 2007). This
Rozwadowska, Anna; Stachlewska, Iwona S.; Makuch, P.; Markowicz, K. M.; Petelski, T.; Strzałkowska, A.; Zieliński, T.
2013-05-01
Properties of atmospheric aerosols and solar radiation reaching the Earth's surface were measured during Summer 2011 in Sopot, Poland. Three cloudless days, characterized by different directions of incoming air-flows, which are typical transport pathways to Sopot, were used to estimate a radiative forcing due to aerosols present in each air mass.
DEFF Research Database (Denmark)
Scheffler, Gregor Albrecht; Plagge, Rudolf
2010-01-01
This paper addresses the modelling of hygric material coefficients bridging the gap between measured material properties and the non-linear storage and transport coefficients in the transfer equation. The conductivity approach and a bundle of tubes model are the basis. By extending this model...
Transport and Phase Equilibria Properties for Steam Flooding of Heavy Oils
Energy Technology Data Exchange (ETDEWEB)
Gabitto, Jorge; Barrufet, Maria
2001-12-18
The objectives of this research included experimental determination and rigorous modeling and computation of phase equilibria, volumetric, and transport properties of hydrocarbon/CO2/water mixtures at pressures and temperatures typical of steam injection processes for thermal recovery of heavy oils.
Predicting Soil-Air and Soil-Water Transport Properties During Soil Vapor Extraction
DEFF Research Database (Denmark)
Poulsen, Tjalfe
designing and operating remediation systems. Simple and accurate models for estimating soil properties from soil parameters that are easy to measure are useful in connection with preliminary remedial investigations and evaluation of remedial technologies. In this work simple models for predicting transport...
Transport and Phase Equilibria Properties for Steam Flooding of Heavy Oils
Energy Technology Data Exchange (ETDEWEB)
Gabitto, Jorge; Barufet, Maria
2002-11-20
The objectives of this research included experimental determination and rigorous modeling and computation of phase equilibrium diagrams, volumetric, and transport properties of hydrocarbon/CO2/water mixtures at pressures and temperatures typical of steam injection processes for thermal recovery of heavy oils.
A law of mixtures for transport properties in binary particulate composites
Duncan, K. L.; Lodenquai, J. F.; Wagh, A. S.; Goretta, K. C.
1998-09-01
A connected-grain model was developed earlier to explain mechanical and thermal properties of porous ceramics and sedimentary rocks. We have now generalized this model for binary particulate composites, based on simulation of a connected-grain structure of individual components of the composites by randomly selecting individual grains and shrinking them. Repetition of this procedure results in a structure of a binary particulate composite that contains channels of individual components, through which transport occurs. We developed a generalized law of mixtures in which transport properties are expressed as scaling relationships that depend on the shrinking parameter expressed as an exponent. This parameter provides the skewness of the distribution of the grains. The model is compared with various transport properties of binary composites reported in the literature. In addition, the model is tested on YBa2Cu3Ox superconductors and Ag composites that were fabricated in our laboratory and tested for electrical conductivity and elastic modulus. This test demonstrates how the model predicts two entirely different transport properties through their common microstructure and grain-size distribution.
Quark Transport Properties in the Region of Coexistence of Both Hadronic and QGP Phases
Institute of Scientific and Technical Information of China (English)
CHEN Xiang-Jun; LI Hong; WANG Gang; ZHANG Wei-Ning; HUO Lei
2001-01-01
The physical picture of coexistence of both hadronic and QGP phases is given by Friedberg and T.D. Lee's nontopology soliton model. The transport properties of quark in color space and spin space in a system of two-phase coexistence are investigated from both quantum and classical theories.
DEFF Research Database (Denmark)
Hinsche, Nicki Frank; Rittweger, Florian; Hölzer, Martin
2016-01-01
-principles calculations a consistent and convenient method is presented to fully describe the thermoelectric properties in the diffusive limit of transport for bulk systems and their associated heterostructures. While fundamentals of the functionality of phonon-blocking and electron-transmitting superlattices could...
Transport and Phase Equilibria Properties for Steam Flooding of Heavy Oils
Energy Technology Data Exchange (ETDEWEB)
Gabitto, Jorge; Barrufet, Maria
2002-11-20
The objectives of this research included experimental determination and rigorous modeling and computation of phase equilibrium diagrams, volumetric, and transport properties of hydrocarbon/CO2/water mixtures at pressures and temperatures typical of steam injection processes for thermal recovery of heavy oils.
Hendriksen, Bas L.M.; Martin, Florent; Qi, Yabing; Qi, Y.; Mauldin, Clayton; Vukmirovic, Nenad; Ren, JunFeng; Wormeester, Herbert; Katan, Allard J.; Altoe, Virginia; Aloni, Shaul; Frechet, Jean M.J.; Wang, Lin-Wang; Salmeron, Miquel
2011-01-01
Using conducting probe atomic force microscopy (CAFM) we have investigated the electrical conduction properties of monolayer films of a pentathiophene derivative on a SiO2/Si-p+ substrate. By a combination of current–voltage spectroscopy and current imaging we show that lateral charge transport
Quantum transport properties of the three-dimensional Dirac semimetal Cd3As2 single crystals
He, Lan-Po; Li, Shi-Yan
2016-11-01
The discovery of the three-dimensional Dirac semimetals have expanded the family of topological materials, and attracted massive attentions in recent few years. In this short review, we briefly overview the quantum transport properties of a well-studied three-dimensional Dirac semimetal, Cd3As2. These unusual transport phenomena include the unexpected ultra-high charge mobility, large linear magnetoresistivity, remarkable Shubnikov-de Hass oscillations, and the evolution of the nontrivial Berry’s phase. These quantum transport properties not only reflect the novel electronic structure of Dirac semimetals, but also give the possibilities for their future device applications. Project supported by the National Basic Research Program of China (Grant Nos. 2012CB821402 and 2015CB921401), the National Natural Science Foundation of China, the Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning, and STCSM of China (Grant No. 15XD1500200).
Lin, Tao; Liu, Xiaojun; Lou, Zhidong; Hou, Yanbing; Teng, Feng
2014-08-01
The charge injection and transport properties of six organic light-emitting molecules with push-pull structures were studied by theoretical calculations. The ground-state geometries for the neutral, cationic and anionic states were optimized using density functional theory. Subsequently, the ionization potentials and electron affinities were calculated. We computed the reorganization energies and the transfer integrals based on the Marcus electron transfer theory. It was found that in addition to being emitters the six compounds are multifunctional materials being capable of transport for both holes and electrons. Moreover, the double-branched compound DCDPC2 was found to have higher charge injection ability and better balanced charge transport properties than single-branched compounds.
Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom
Institute of Scientific and Technical Information of China (English)
杨玉娥; 肖杨; 颜晓红; 戴昌杰
2015-01-01
We have performed density-functional calculations of the transport properties of the zigzag graphene nanoribbon (ZGNR) adsorbed with a single iron atom. Two adsorption configurations are considered, i.e., iron adsorbed on the edge and on the interior of the nanoribbon. The results show that the transport features of the two configurations are similar. However, the transport properties are modified due to the scattering effects induced by coupling of the ZGNR band states to the localized 3d-orbital state of the iron atom. More importantly, one can find that several dips appear in the transmission curve, which is closely related to the above mentioned coupling. We expect that our results will have potential applications in graphene-based spintronic devices.
Istomin, V. A.; Kustova, E. V.
2017-03-01
State-to-state approach for theoretical study of transport properties in atomic gases with excited electronic degrees of freedom of both neutral and ionized species is developed. The dependence of atomic radius on the electronic configuration of excited atoms is taken into account in the transport algorithm. Different cutoff criteria for increasing atomic radius are discussed and the limits of applicability for these criteria are evaluated. The validity of a Slater-like model for the calculation of state-resolved transport coefficients in neutral and ionized atomic gases is shown. For ionized flows, a method of evaluation for effective cross-sections of resonant charge-transfer collisions is suggested. Accurate kinetic theory algorithms for modelling the state-specific transport properties are applied for the prediction of transport coefficients in shock heated flows. Based on the numerical observations, different distributions over electronic states behind the shock front are considered. For the Boltzmann-like distributions at temperatures greater than 14,000 K, an important effect of electronic excitation on the partial thermal conductivity and viscosity coefficients is found for both neutral and ionized atomic gases: increasing radius of excited atoms causes a strong decrease in these transport coefficients. Similarly, the presence of electronically excited states with increased atomic radii leads to reduced diffusion coefficients. Nevertheless the overall impact of increasing effective cross-sections on the transport properties just behind the shock front under hypersonic reentry conditions is found to be minor since the populations of high-lying electronic energy levels behind the shock waves are low.
Transport properties of room temperature ionic liquids from classical molecular dynamics
Andreussi, Oliviero
2012-01-01
Room Temperature Ionic Liquids (RTILs) have attracted much of the attention of the scientific community in the past decade due the their novel and highly customizable properties. Nonetheless their high viscosities pose serious limitations to the use of RTILs in practical applications. To elucidate some of the physical aspects behind transport properties of RTILs, extensive classical molecular dynamics (MD) calculations are reported. Bulk viscosities and ionic conductivities of butyl-methyl-imidazole based RTILs are presented over a wide range of temperatures. The dependence of the properties of the liquids on simulation parameters, e.g. system size effects and choice of the interaction potential, is analyzed.
DEFF Research Database (Denmark)
Fürst, Joachim Alexander; Hashemi, J.; Markussen, Troels
2009-01-01
techniques and tight-binding calculations to illustrate these materials' transmission properties and give physical arguments to interpret the numerical results. Specifically, above the Fermi energy we find a strong reduction in electron transmission due to localized states in certain regions of the structure......Fullerene functionalized carbon nanotubes-NanoBuds-form a novel class of hybrid carbon materials, which possesses many advantageous properties as compared to the pristine components. Here, we report a theoretical study of the electronic transport properties of these compounds. We use both ab initio...
Tribological properties of epoxy composite materials for marine and river transport
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.
Institute of Scientific and Technical Information of China (English)
Zhengxing HUANG; Zhen'an TANG; Ziqiang XU; Haitao DING; Yuqin GU
2006-01-01
A genetic algorithm (GA) was studied to simultaneously determine the thermal transport properties and the contact resistance of thin films deposited on a thick substrate. A pulsed photothermal reflectance (PPR) system was employed for the measurements. The GA was used to extract the thermal properties. Measurements were performed on SiO2 thin films of different thicknesses on silicon substrate. The results show that the GA accompanied with the PPR system is useful for the simultaneous determination of thermal properties of thin films on a substrate.
Surface and transport properties of Cu-Sn-Ti liquid alloys
Institute of Scientific and Technical Information of China (English)
R. Novakovic; E. Ricci; S. Amore; T. Lanata
2006-01-01
The lack of experimental data and / or limited experimental information concerning both surface and transport properties of liquid alloys often require the prediction of these quantities. An attempt has been made to link the thermophysical properties of a ternary Cu-Sn-Ti system and its binary Cu-Sn, Cu-Ti and Sn-Ti subsystems with the bulk through the study of the concentration dependence of various thermodynamic, structural, surface and dynamic properties in the frame of the statistical mechanical theory in conjunction with the quasi-lattce theory (QLT). This formalism provides valuable qualitative insight into mixing processes that occur in molten alloys.
Energy Technology Data Exchange (ETDEWEB)
Poloski, Adam P.; Daniel, Richard C.; Rector, David R.; Bredt, Paul R.; Buck, Edgar C.; Berg, John C.; Saez, Avelino E.
2006-09-29
Hanford TRU tank sludges are complex mixtures of undissolved minerals and salt solids in an aqueous phase of high ionic strength. They show complex rheological behavior resulting from interactions at the macroscopic level, such as interparticle friction between grains in the coarse fraction, as well as from interactions at the nano-scale level, such as the agglomeration of colloidal particles. An understanding of how phenomena such as interparticle friction and aggregate stability under shear will allow better control of Hanford TRU tank sludges being processed for disposal. The project described in this report had two objectives. The first was to understand the physical properties and behavior of the Hanford transuranic (TRU) tank sludges under conditions that might exist during retrieval, treatment, packaging, and transportation for disposal at the Waste Isolation Pilot Plant (WIPP). The second objective was to develop a fundamental understanding of sludge physical properties by correlating the macroscopic behavior with interactions occurring at the particle/colloidal scale. These objectives were accomplished by: 1) developing continuum models for coarse granular slurries and 2) studying the behavior of colloidal agglomerates under shear and under irradiation.
Applications of asymmetric nanotextured parylene surface using its wetting and transport properties
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
Transport and mechanical properties of self consolidating concrete with high volume fly ash
Energy Technology Data Exchange (ETDEWEB)
Mustafa Sahmaran; Ismail O. Yaman; Mustafa Tokyay [Gaziantep University, Gaziantep (Turkey). Department of Civil Engineering
2009-02-15
This paper presents the transport and mechanical properties of self consolidating concrete that contain high percentages of low-lime and high-lime fly ash (FA). Self consolidating concretes (SCC) containing five different contents of high-lime FA and low-lime FA as a replacement of cement (30, 40, 50, 60 and 70 by weight of total cementitious material) are examined. For comparison, a control SCC mixture without any FA was also produced. The fresh properties of the SCCs were observed through, slump flow time and diameter, V-funnel flow time, L-box height ratio, and segregation ratio. The hardened properties included the compressive strength, split tensile strength, drying shrinkage and transport properties (absorption, sorptivity and rapid chloride permeability tests) up to 365 days. Test results confirm that it is possible to produce SCC with a 70% of cement replacement by both types of FA. The use of high volumes of FA in SCC not only improved the workability and transport properties but also made it possible to produce concretes between 33 and 40 MPa compressive strength at 28 days, which exceeds the nominal compressive strength for normal concrete (30 MPa).
The electronic transport properties of graphene-like beryllium sulfide nanoribbons
Energy Technology Data Exchange (ETDEWEB)
An, Yipeng, E-mail: ypan@htu.edu.cn; Wang, Tianxing; Fu, Zhaoming; Chu, Xingli; Xu, Guoliang
2015-09-11
The electronic transport properties of zigzag beryllium sulfide nanoribbons (ZBeSNRs) are investigated by first-principles calculations. The results indicate that the electrons flow mainly through the two edges of ZBeSNRs. The electron transmission pathways are analyzed in detail. The ZBeSNRs show the remarkable negative differential resistance (NDR) properties, which are independent of the nanoribbon width due to their very similar band structures. The NDR behavior can be maintained by introducing a Be or S atom vacancy defect. The H-passivated ZBeSNR presents the interesting current-limited effect. The ZBeSNRs could be the promising candidates for the future nano devices, such as NDR devices. - Highlights: • The electronic transport properties of zigzag BeS nanoribbons (ZBeSNRs) are investigated. • The ZBeSNRs show the remarkable negative differential resistance (NDR) properties. • The electronic transport properties of ZBeSNRs are independent of the nanoribbon width. • The NDR behavior can be maintained by introducing a Be or S atom vacancy defect. • The H-passivated ZBeSNR presents the interesting current-limited effect.
Modulation of the electron transport properties in graphene nanoribbons doped with BN chains
Directory of Open Access Journals (Sweden)
Wu Liu
2014-06-01
Full Text Available Using density-functional theory and the non-equilibrium Green's function method, the electron transport properties of zigzag graphene nanoribbons (ZGNRs doped with BN chains are studied by systematically calculating the energy band structure, density of states and the transmission spectra for the systems. The BN chains destroyed the electronic transport properties of the ZGNRs, and an energy gap appeared for the ZGNRs, and displayed variations from a metal to a wide-gap semiconductor. With an increase in the number of BN chains, the band gap increased gradually in the band structure and the transmission coefficient decreased near the Fermi surface. Additionally, the doping position had a significant effect on the electronic properties of the ZGNRs.
Electron transport properties in InAs four-terminal ballistic junctions under weak magnetic fields
Energy Technology Data Exchange (ETDEWEB)
Koyama, M.; Fujiwara, K.; Amano, N.; Maemoto, T.; Sasa, S.; Inoue, M. [Nanomaterials Microdevices Research Center, Osaka Institute of Technology (JP)u, Osaka 535-8585 (Japan)
2009-06-15
We report on the electron transport properties based on ballistic electrons under magnetic fields in four-terminal ballistic junctions fabricated on an InAs/AlGaSb heterostructure. The four-terminal junction structure is composed of two longitudinal stems with two narrow wires slanted with 30 degree from the perpendicular axis. The electron focusing peak was obtained with the bend resistance measurement. Then it was investigated the nonlinear electron transport property of potential difference between longitudinal stems due to ballistic electrons with applying direct current from narrow wires. Observed nonlinearity showed clear rectification effects which have negative polarity regardless of input voltage polarity. Although this nonlinearity was qualitatively changed due to the Lorentz force under magnetic fields, the degradation of ballistic effects on nonlinear properties were observed when the current increased to higher strength. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Graphene transport properties upon exposure to PMMA processing and heat treatments
DEFF Research Database (Denmark)
Gammelgaard, Lene; Caridad, Jose; Cagliani, Alberto
2014-01-01
, allowing us to measure the evolution of the electrical transport properties during individual processing steps from the initial as-exfoliated to the PMMA-processed graphene. Heating generally promotes the conformation of graphene to SiO2 and is found to play a major role for the electrical properties......The evolution of graphene's electrical transport properties due to processing with the polymer polymethyl methacrylate (PMMA) and heat are examined in this study. The use of stencil (shadow mask) lithography enables fabrication of graphene devices without the usage of polymers, chemicals or heat...... of graphene while PMMA residues are found to be surprisingly benign. In accordance with this picture, graphene devices with initially high carrier mobility tend to suffer a decrease in carrier mobility, while in contrast an improvement is observed for low carrier mobility devices. We explain this by noting...
Three-dimensional Fe3O4-graphene macroscopic composites for arsenic and arsenate removal.
Guo, Liangqia; Ye, Peirong; Wang, Jing; Fu, Fengfu; Wu, Zujian
2015-11-15
3D graphene macroscopic gel synthesized via self-assembly of GO nanosheets under basic conditions at low temperature is modified with polydopamine and Fe3O4 nanoparticles. The modification of polydopamine can not only strengthen the 3D graphene-based macroscopic architecture but also enhance the loadage and binding ability of Fe3O4 nanoparticles. The synthesized 3D Fe3O4-graphene macroscopic composites are characterized by SEM, XRD, XPS, BET, Raman and magnetic property and used as a versatile adsorbent for sub-ppm concentration of As(III) and As(V) removal from aqueous solutions. The experimental results suggest that the synthesized 3D Fe3O4-graphene macroscopic composites are promising for treating low concentration of arsenic contaminated water. Copyright © 2015 Elsevier B.V. All rights reserved.
Menzel, Andreas M
2016-01-01
One possibility to adjust material properties to a specific need is to embed units of one substance into a matrix of another substance. Even materials that are readily tunable during operation can be generated in this way. In (visco)elastic substances, both the matrix material as well as the inclusions and/or their immediate environment can be dynamically deformed. If the typical dynamic response time of the inclusions and their surroundings approach the macroscopic response time, their deformation processes need to be included into a dynamic macroscopic characterization. Along these lines, we present a hydrodynamic description of (visco)elastic composite materials. For this purpose, additional strain variables reflect the state of the inclusions and their immediate environment. These additional strain variables in general are not set by a coarse-grained macroscopic displacement field. Apart from that, during our derivation, we also include the macroscopic variables of relative translations and relative rotat...
Self-Feeding Turbulent Magnetic Reconnection on Macroscopic Scales
Lapenta, Giovanni
2008-01-01
Within a MHD approach we find magnetic reconnection to progress in two entirely different ways. The first is well-known: the laminar Sweet-Parker process. But a second, completely different and chaotic reconnection process is possible. This regime has properties of immediate practical relevance: i) it is much faster, developing on scales of the order of the Alfv\\'en time, and ii) the areas of reconnection become distributed chaotically over a macroscopic region. The onset of the faster process is the formation of closed circulation patterns where the jets going out of the reconnection regions turn around and forces their way back in, carrying along copious amounts of magnetic flux.
Separation of the Microscopic and Macroscopic Domains
Van Zandt, L. L.
1977-01-01
Examines the possibility of observing interference in quantum magnification experiments such as the celebrated "Schroedinger cat". Uses the possibility of observing interference for separating the realm of microscopic from macroscopic dynamics; estimates the dividing line to fall at system sizes of about 100 Daltons. (MLH)
Entropy, Macroscopic Information, and Phase Transitions
Parrondo, Juan M. R.
1999-01-01
The relationship between entropy and information is reviewed, taking into account that information is stored in macroscopic degrees of freedom, such as the order parameter in a system exhibiting spontaneous symmetry breaking. It is shown that most problems of the relationship between entropy and information, embodied in a variety of Maxwell demons, are also present in any symmetry breaking transition.
Lozenge Tilings, Glauber Dynamics and Macroscopic Shape
Laslier, Benoît; Toninelli, Fabio Lucio
2015-09-01
We study the Glauber dynamics on the set of tilings of a finite domain of the plane with lozenges of side 1/ L. Under the invariant measure of the process (the uniform measure over all tilings), it is well known (Cohn et al. J Am Math Soc 14:297-346, 2001) that the random height function associated to the tiling converges in probability, in the scaling limit , to a non-trivial macroscopic shape minimizing a certain surface tension functional. According to the boundary conditions, the macroscopic shape can be either analytic or contain "frozen regions" (Arctic Circle phenomenon Cohn et al. N Y J Math 4:137-165, 1998; Jockusch et al. Random domino tilings and the arctic circle theorem, arXiv:math/9801068, 1998). It is widely conjectured, on the basis of theoretical considerations (Henley J Statist Phys 89:483-507, 1997; Spohn J Stat Phys 71:1081-1132, 1993), partial mathematical results (Caputo et al. Commun Math Phys 311:157-189, 2012; Wilson Ann Appl Probab 14:274-325, 2004) and numerical simulations for similar models (Destainville Phys Rev Lett 88:030601, 2002; cf. also the bibliography in Henley (J Statist Phys 89:483-507, 1997) and Wilson (Ann Appl Probab 14:274-325, 2004), that the Glauber dynamics approaches the equilibrium macroscopic shape in a time of order L 2+ o(1). In this work we prove this conjecture, under the assumption that the macroscopic equilibrium shape contains no "frozen region".
Macroscopic invisibility cloaking of visible light
DEFF Research Database (Denmark)
Chen, Xianzhong; Luo, Y.; Zhang, Jingjing
2011-01-01
to a few wavelengths. Here, we report the first realization of a macroscopic volumetric invisibility cloak constructed from natural birefringent crystals. The cloak operates at visible frequencies and is capable of hiding, for a specific light polarization, three-dimensional objects of the scale...
Transport properties of pyroclastic rocks from Montagne Pelée volcano (Martinique, Lesser Antilles)
Bernard, Marie-Lise; Zamora, Maria; GéRaud, Yves; Boudon, Georges
2007-05-01
The hydraulic and electrical properties of pyroclastic rocks have been investigated in laboratory on a representative sampling of Montagne Pelée (Martinique, France) deposits with renewed interest in geophysical applications. This sampling covers all the lithologic units of this volcano: lava dome and lava flows, pumices from ash-and-pumice fall and flow deposits, lava blocks from block-and-ash flow and Peléean "nuées ardentes" deposits, scoriae from scoria flow deposits. The connected porosity varies over a wide range from 3 to 62%. The unconnected porosity is important only on pumices where it can reach 15%. The permeability covers more than 5 orders of magnitude, ranging from 10-16 to 35 × 10-12 m2. The higher values are obtained on lava blocks and the scoriae, even if these rocks are less porous than the pumices. The formation factor ranges from 7 to 1139. The transport properties of these rocks are slightly correlated with porosity. This indicates that these properties are not only controlled by the connected porosity. To connect the transport properties to the textural characteristics of the pore network of pyroclastic rocks, different models, based on geometrical considerations or percolation theory, were tested. The pore access radius distribution and the tortuosity control the transport properties of pyroclastic rocks. Consequently, the models (electric and hydraulic) based on the concept of percolation (e.g., the models of Katz and Thompson), apply better than the equivalent channel model of Kozeny-Carman. In addition, the difference in transport properties observed on lava blocks and pumices confirms that the mechanisms of degassing and vesiculation are different for these two types of rock.
Structure-dependent optical and electrical transport properties of nanostructured Al-doped ZnO.
Gondoni, P; Ghidelli, M; Di Fonzo, F; Carminati, M; Russo, V; Li Bassi, A; Casari, C S
2012-09-14
The structure-property relation of nanostructured Al-doped ZnO thin films has been investigated in detail through a systematic variation of structure and morphology, with particular emphasis on how they affect optical and electrical properties. A variety of structures, ranging from compact polycrystalline films to mesoporous, hierarchically organized cluster assemblies, are grown by pulsed laser deposition at room temperature at different oxygen pressures. We investigate the dependence of functional properties on structure and morphology and show how the correlation between electrical and optical properties can be studied to evaluate energy gap, conduction band effective mass and transport mechanisms. Understanding these properties opens up opportunities for specific applications in photovoltaic devices, where optimized combinations of conductivity, transparency and light scattering are required.
Energy Technology Data Exchange (ETDEWEB)
Sappia, Luciano D.; Trujillo, Matias R. [Instituto Superior de Investigaciones Biológicas (INSIBIO), CONICET, Chacabuco 461, T4000ILI San Miguel de Tucumán (Argentina); Laboratorio de Medios e Interfases (LAMEIN), Departamento de Bioingeniería, Fac. de Cs. Exactas y Tecnología, Universidad Nacional de Tucumán, Av. Independencia 1800, 4000 San Miguel de Tucumán (Argentina); Lorite, Israel [Division of Superconductivity and Magnetism, Institute for Experimental Physics II, University of Leipzig, Linnéstrasse 5, 04103 Leipzig (Germany); Madrid, Rossana E., E-mail: rmadrid@herrera.unt.edu.ar [Instituto Superior de Investigaciones Biológicas (INSIBIO), CONICET, Chacabuco 461, T4000ILI San Miguel de Tucumán (Argentina); Laboratorio de Medios e Interfases (LAMEIN), Departamento de Bioingeniería, Fac. de Cs. Exactas y Tecnología, Universidad Nacional de Tucumán, Av. Independencia 1800, 4000 San Miguel de Tucumán (Argentina); Tirado, Monica [NanoProject and Laboratorio de Nanomateriales y Propiedades Dieléctricas, Departamento de Física, Universidad Nacional de Tucumán, Avenida Independencia 1800, Tucumán (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) (Argentina); and others
2015-10-15
Graphical abstract: - Highlights: • We study electrical transport in nanostructured ZnO films by impedance spectroscopy. • Bioaggregates on the surface produce strong changes in film transport properties. • This behavior is explained by modeling data with RC parallel circuits. • Electrical responses of ZnO films to aggregates are promising for biosensing. - Abstract: Nanomaterials based on ZnO have been used to build glucose sensors due to its high isoelectric point, which is important when a protein like Glucose Oxidase (GOx) is attached to a surface. It also creates a biologically friendly environment to preserve the activity of the enzyme. In this work we study the electrical transport properties of ZnO thin films (TFs) and single crystals (SC) in contact with different solutions by using impedance spectroscopy. We have found that the composition of the liquid, by means of the charge of the ions, produces strong changes in the transport properties of the TF. The enzyme GOx and phosphate buffer solutions have the major effect in the conduction through the films, which can be explained by the entrapment of carriers at the grain boundaries of the TFs. These results can help to design a new concept in glucose biosensing.
Energy Technology Data Exchange (ETDEWEB)
Lan, Tran Nguyen, E-mail: lantran@ims.ac.jp
2014-01-15
Highlights: • Transport properties of molecular junction having direct binding of aromatic ring to electrode have been investigated. • The conductance of junction with sp-type electrode is higher than that of junction with sd-type electrode. • The rectifying mechanism critically depends on the nature of benzene–electrode coupling. • The p–n junction-like can be obtained even without heteroatom doping. • The negative differential resistance effect was observed for the case of sp-type electrode. - Abstract: We have used the non-equilibrium Green’s function in combination with the density functional theory to investigate the quantum transport properties of the molecular junctions including a terminated benzene ring directly coupled to surface of metal electrodes (physisorption). The other side of molecule was connected to electrode via thiolate bond (chemisorption). Two different electrodes have been studied, namely Cu and Al. Rectification and negative differential resistance behavior have been observed. We found that the electron transport mechanism is affected by the nature of benzene–electrode coupling. In other words, the transport mechanism depends on the nature of metallic electrode. Changing from sp- to sd-metallic electrode, the molecular junction changes from the Schottky to p–n junction-like diode. The transmission spectra, projected density of state, molecular projected self-consistent Hamiltonian, transmission eigenchannel, and Muliken population have been analyzed for explanation of electronic transport properties. Understanding the transport mechanism in junction having direct coupling of π-conjugate to electrode will be useful to design the future molecular devices.
Jensen, L; Swart, Marcel; van Duijnen, Piet Th
2005-01-15
A polarizable quantum mechanics and molecular mechanics model has been extended to account for the difference between the macroscopic electric field and the actual electric field felt by the solute molecule. This enables the calculation of effective microscopic properties which can be related to macroscopic susceptibilities directly comparable with experimental results. By separating the discrete local field into two distinct contribution we define two different microscopic properties, the so-called solute and effective properties. The solute properties account for the pure solvent effects, i.e., effects even when the macroscopic electric field is zero, and the effective properties account for both the pure solvent effects and the effect from the induced dipoles in the solvent due to the macroscopic electric field. We present results for the linear and nonlinear polarizabilities of water and acetonitrile both in the gas phase and in the liquid phase. For all the properties we find that the pure solvent effect increases the properties whereas the induced electric field decreases the properties. Furthermore, we present results for the refractive index, third-harmonic generation (THG), and electric field induced second-harmonic generation (EFISH) for liquid water and acetonitrile. We find in general good agreement between the calculated and experimental results for the refractive index and the THG susceptibility. For the EFISH susceptibility, however, the difference between experiment and theory is larger since the orientational effect arising from the static electric field is not accurately described.
Saeed, Yasir
2014-05-11
Thermoelectric materials can convert waste heat into electric power and thus provide a way to reduce the dependence on fossil fuels. Our aim is to model the underlying materials properties and, in particular, the transport as controlled by electrons and lattice vibrations. The goal is to develop an understanding of the thermoelectric properties of selected materials at a fundamental level. The structural, electronic, optical, and phononic properties are studied in order to tune the transport, focusing on KxRhO2, NaxRhO2, PtSb2 and Bi2Se3. The investigations are based on density functional theory as implemented in the all electron linearized augmented plane wave plus local orbitals WIEN2k and pseudo potential Quantum-ESPRESSO codes. The thermoelectric properties are derived from Boltzmann transport theory under the constant relaxation time approximation, using the BoltzTraP code. We will discuss first the changes in the electronic band structure under variation of the cation concentration in layered KxRhO2 in the 2H phase and NaxRhO2 in the 3R phase. We will also study the hydrated phase. The deformations of the RhO6 octahedra turn out to govern the thermoelectric properties, where the high Seebeck coefficient results from ”pudding mold" bands. We investigate the thermoelectric properties of electron and hole doped PtSb2, which is not a layered material but shares “pudding mold" bands. PtSb2 has a high Seebeck coefficient at room temperature, which increases significantly under As alloying by bandgap opening and reduction of the lattice thermal conductivity. Bi2Se3 (bulk and thin film) has a larger bandgap then the well-known thermoelectric material Bi2Te3, which is important at high temperature. The structural stability, electronic structure, and transport properties of one to six quintuple layers of Bi2Se3 will be discussed. We also address the effect of strain on a single quintuple layer by phonon band structures. We will analyze the electronic and transport
Electronic Transport Properties through Gold-Dithiol-Molecule-Gold Junctions in Equilibrium
Institute of Scientific and Technical Information of China (English)
NING Zhan-Yu; CHEN Jing-Zhe; HOU Shi-Min; ZHANG Jia-Xing; LIANG Zhen-Yu; ZHANG Jin; HAN Ru-Shan
2005-01-01
@@ We consider the electronic transport through gold-dithiol-molecule-gold junctions. We used an atomicallycontacted extended molecule model for the description of such systems. The calculations are based on the matrix Green function method combined with the hybrid tight-binding density functional theory. In order to determine the position of Fermi level, we referenced the experimental results from ultraviolet photoelectron spectroscopy.Our calculation of molecular conductance near the Fermi level qualitatively reproduces the experimental values measured previously [Science 301 (2003) 1221; J. Am. Chem. Soc. 125 (2003) 16164; Nano Lett. 4 (2004) 267].In addition, we discuss the relationship between different molecular electronic structures and transport properties.
Liu, Zheng-Qin; Wang, Rui-Qiang; Deng, Ming-Xun; Hu, Liang-Bin
2015-06-01
We have investigated the transport properties of the Dirac fermions through a ferromagnetic barrier junction on the surface of a strong topological insulator. The current-voltage characteristic curve and the tunneling conductance are calculated theoretically. Two interesting transport features are predicted: observable negative differential conductances and linear conductances tunable from unit to nearly zero. These features can be magnetically manipulated simply by changing the spacial orientation of the magnetization. Our results may contribute to the development of high-speed switching and functional applications or electrically controlled magnetization switching. Supported by National Natural Science Foundation of China under Grant Nos. 11174088, 11175067, 11274124
Energy Technology Data Exchange (ETDEWEB)
Sanchez Valdes, C.F. [Superconductivity Laboratory, Magnetism Laboratory, IMRE-Physics Faculty, University of Havana, 10400 Havana (Cuba); Perez-Penichet, C. [Superconductivity Laboratory, Magnetism Laboratory, IMRE-Physics Faculty, University of Havana, 10400 Havana (Cuba); Noda, C. [Superconductivity Laboratory, Magnetism Laboratory, IMRE-Physics Faculty, University of Havana, 10400 Havana (Cuba); Arronte, M. [Laser Technology Laboratory, CICATA-IPN, ALTAMIRA, Altamira 89600, TAMPS (Mexico); Batista-Leyva, A.J. [Department of General Physics and Mathematics, InSTEC, 10400 Havana (Cuba); Haugen, O. [Department of Physics, University of Oslo, Blindern, N-0316 Oslo (Norway); Johansen, T.H. [Department of Physics, University of Oslo, Blindern, N-0316 Oslo (Norway); Han, Z. [Applied Superconductivity Research Center, Department of Physics, Tsinghua University, Beijing 100084 (China); Altshuler, E. [Superconductivity Laboratory, Magnetism Laboratory, IMRE-Physics Faculty, University of Havana, 10400 Havana (Cuba)]. E-mail: ea@infomed.sld.cu
2007-09-15
The determination of inter- and intra-filament characteristics in superconducting composites such as BSCCO-Ag tapes is of great importance for material evaluation towards applications. Most attempts to separate the two contributions have relied on indirect methods based on magnetic measurements such as SQUID or magneto-optic imaging techniques. Here we show that laser patterning of superconducting BSCCO-Ag tapes constitutes a simple approach to measure local transport properties in a direct way, even able to separate inter- and intra-filament contributions to the overall transport behavior of the sample.
Vibrational energy transport in molecules and the statistical properties of vibrational modes
Pandey, Hari Datt; Leitner, David M.
2017-01-01
Statistical properties of the eigenmodes computed for two molecules, dodecane and perfluorododecane, are examined and compared with predictions of random matrix theory. The eigenmode statistics of the heat carrying modes of perfluorododecane correspond to Porter-Thomas statistics, whereas those for dodecane do not. Vibrational energy transport in the two molecules is also computed and found to be diffusive in perfluorododecane but not in dodecane, consistent with recent experiments. The correspondence between eigenmode statistics and vibrational energy transport dynamics in molecules as well as thermalization in molecules are discussed.
Synthesis and quantum transport properties of Bi₂Se₃ topological insulator nanostructures.
Yan, Yuan; Liao, Zhi-Min; Zhou, Yang-Bo; Wu, Han-Chun; Bie, Ya-Qing; Chen, Jing-Jing; Meng, Jie; Wu, Xiao-Song; Yu, Da-Peng
2013-01-01
Bi₂Se₃ nanocrystals with various morphologies, including nanotower, nanoplate, nanoflake, nanobeam and nanowire, have been synthesized. Well-distinguished Shubnikov-de Haas (SdH) oscillations were observed in Bi₂Se₃ nanoplates and nanobeams. Careful analysis of the SdH oscillations suggests the existence of Berry's phase π, which confirms the quantum transport of the surface Dirac fermions in both Bi₂Se₃ nanoplates and nanobeams without intended doping. The observation of the singular quantum transport of the topological surface states implies that the high-quality Bi₂Se₃ nanostructures have superiorities for investigating the novel physical properties and developing the potential applications.
Poly(o-aminophenol) film electrodes synthesis, transport properties and practical applications
Tucceri, Ricardo
2014-01-01
This review book is concerned with the synthesis, charge transport properties and practical applications of poly (o-aminophenol) (POAP) film electrodes. It is divided into three parts. The first one has a particular emphasis on problems of synthesis and structure of POAP. The second part deals with the mechanism of charge transfer and charge transport processes occurring in the course of the redox reactions of POAP. The third part describes the promising applications of POAP in the different fields of sensors, electrocatalysis, bioelectrochemistry, corrosion protection, among others. This review covers the literature on POAP in the time period comprised between 1987 and 2013.
Energy Technology Data Exchange (ETDEWEB)
Cosmin Obreja, Alexandru; Cristea, Dana; Radoi, Antonio; Gavrila, Raluca; Comanescu, Florin; Kusko, Cristian, E-mail: cristian.kusko@imt.ro [National Institute for R and D in Microtechnologies, 72996, Bucharest (Romania); Mihalache, Iuliana [National Institute for R and D in Microtechnologies, 72996, Bucharest (Romania); Physics Department, University Bucharest, P.O. Box MG-11, 077125 Bucharest (Romania)
2014-08-25
We show that graphene quantum dots (GQD) embedded in a semiconducting poly(3-hexylthiophene) polymeric matrix act as charge trapping nanomaterials. In plane current-voltage (I-V) measurements of thin films realized from this nanocomposite deposited on gold interdigitated electrodes revealed that the GQD enhanced dramatically the hole transport. I-V characteristics exhibited a strong nonlinear behavior and a pinched hysteresis loop, a signature of a memristive response. The transport properties of this nanocomposite were explained in terms of a trap controlled space charge limited current mechanism.
Denjean, C.; Cassola, F.; Mazzino, A.; Triquet, S.; Chevaillier, S.; Grand, N.; Bourrianne, T.; Momboisse, G.; Sellegri, K.; Schwarzenbock, A.; Freney, E.; Mallet, M.; Formenti, P.
2016-02-01
This study presents in situ aircraft measurements of Saharan mineral dust transported over the western Mediterranean basin in June-July 2013 during the ChArMEx/ADRIMED (the Chemistry-Aerosol Mediterranean Experiment/Aerosol Direct Radiative Impact on the regional climate in the MEDiterranean region) airborne campaign. Dust events differing in terms of source region (Algeria, Tunisia and Morocco), time of transport (1-5 days) and height of transport were sampled. Mineral dust were transported above the marine boundary layer, which conversely was dominated by pollution and marine aerosols. The dust vertical structure was extremely variable and characterized by either a single layer or a more complex and stratified structure with layers originating from different source regions. Mixing of mineral dust with pollution particles was observed depending on the height of transport of the dust layers. Dust layers carried a higher concentration of pollution particles below 3 km above sea level (a.s.l.) than above 3 km a.s.l., resulting in a scattering Ångström exponent up to 2.2 below 3 km a.s.l. However, the optical properties of the dust plumes remained practically unchanged with respect to values previously measured over source regions, regardless of the altitude. Moderate absorption of light by the dust plumes was observed with values of aerosol single scattering albedo at 530 nm ranging from 0.90 to 1.00. Concurrent calculations from the aerosol chemical composition revealed a negligible contribution of pollution particles to the absorption properties of the dust plumes that was due to a low contribution of refractory black carbon in regards to the fraction of dust and sulfate particles. This suggests that, even in the presence of moderate pollution, likely a persistent feature in the Mediterranean, the optical properties of the dust plumes could be assumed similar to those of native dust in radiative transfer simulations, modelling studies and satellite retrievals
Quantum Size Effects in Transport Properties of Bi2Te3 Topological Insulator Thin Films
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.
Doiron, Charles; Hencken, Kai
2013-09-01
Computational fluid-dynamic simulations nowadays play a central role in the development of new gas circuit breakers. For these simulations to be reliable, a good knowledge of the pressure and temperature-dependence of the thermodynamic and transport properties of ionized gases is required. A key ingredient in the calculation of thermodynamic properties of thermal plasmas is the calculation of the chemical equilibrium composition of the gas. The general-purpose, open-source software toolkit Cantera provides most functionality required to carry out such thermodynamic calculations. In this contribution, we explain how we tailored Cantera specifically to calculate material properties of plasmas. The highly modular architecture of this framework made it possible to add support for Debye-Hückel non-ideality corrections in the calculation of the chemical equilibrium mixture, as well as to enable the calculation of the key transport parameters needed in CFD-based electric arc simulations: electrical and thermal conductivity, viscosity, and diffusion coefficients. As an example, we discuss the thermodynamic and transport properties of mixtures of carbon dioxide and copper vapor.
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
Energy Technology Data Exchange (ETDEWEB)
Yoshino, Naoto; Uchida, Masahiro [Japan Nuclear Cycle Development Inst., Tokai Works, Tokai, Ibaraki (Japan); Satou, Hisashi [Inspection Development Company Ltd., Tokai, Ibaraki (Japan)
2003-03-01
The understanding of mass transport and fluid flow properties in natural rock fractures is important for safety assessment of geological disposal of high level nuclear waste. The authors developed advanced tracer test equipment in which a 50-cm cubic scale rock sample was feasible. The mass transport and fluid flow properties in a single fracture were also examined. The relation among hydraulic, transport and mass balance apertures of a natural single fracture were obtained. Heterogeneity of the aperture distribution was evident, as was the possibility of some major flow line perpendicular to the flow direction. Additionally, the relation between normal stress and each aperture was also obtained by loading normal stress on the fracture. In future, measuring the aperture distribution and establishing the model considering fluid flow and mass transport properties in natural rock fractures will be conducted. (author)
Emergence of Macroscopic Transport Barriers from Staircase Structures
Ashourvan, Arash; Diamond, Patrick H.
2016-10-01
A theory is presented for the formation and evolution of coupled density staircases (SC) and zonal shear profiles in a simple model of drift-wave turbulence. Density, vorticity and fluctuation potential enstrophy are the fields evolved for this system. Formation of SC structures is due to inhomogeneous mixing of generalized potential vorticity (PV), resulting in the sharpening of density and vorticity gradients in some regions and weakening them in others. The positive feedback which drives SC formation is implemented via a Rhines scale dependent mixing length. When PV gradients steepen, the density SC structure develops into a lattice of mesoscale `jumps', and `steps', which are respectively, regions of local gradient steepening and flattening. The jumps merge and migrate in radius, leading to the development of macroscale profile structures from mesoscale elements. Furthermore, depending on the sources and boundary conditions, either a region of enhanced confinement, or a region with strong turbulence can form at the edge. We present extensive studies of bifurcation physics of the global state, including results on the flux-gradient landscapes. This model is the first to demonstrate how mesoscale condensation of SCs leads to global states of enhanced confinement. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences, under Award Numbers DE-FG02-04ER54738 and DE-SC0008378.
Mccarty, R. D.
1980-01-01
The thermodynamic and transport properties of selected cryogens had programmed into a series of computer routines. Input variables are any two of P, rho or T in the single phase regions and either P or T for the saturated liquid or vapor state. The output is pressure, density, temperature, entropy, enthalpy for all of the fluids and in most cases specific heat capacity and speed of sound. Viscosity and thermal conductivity are also given for most of the fluids. The programs are designed for access by remote terminal; however, they have been written in a modular form to allow the user to select either specific fluids or specific properties for particular needs. The program includes properties for hydrogen, helium, neon, nitrogen, oxygen, argon, and methane. The programs include properties for gaseous and liquid states usually from the triple point to some upper limit of pressure and temperature which varies from fluid to fluid.
Directory of Open Access Journals (Sweden)
Jerome A. Ramirez
2015-07-01
Full Text Available Hydrothermal liquefaction (HTL presents a viable route for converting a vast range of materials into liquid fuel, without the need for pre-drying. Currently, HTL studies produce bio-crude with properties that fall short of diesel or biodiesel standards. Upgrading bio-crude improves the physical and chemical properties to produce a fuel corresponding to diesel or biodiesel. Properties such as viscosity, density, heating value, oxygen, nitrogen and sulphur content, and chemical composition can be modified towards meeting fuel standards using strategies such as solvent extraction, distillation, hydrodeoxygenation and catalytic cracking. This article presents a review of the upgrading technologies available, and how they might be used to make HTL bio-crude into a transportation fuel that meets current fuel property standards.
Tribological behaviour of graphite powders at nano- and macroscopic scales
Schmitt, M.; Bistac, S.; Jradi, K.
2007-04-01
With its high resistance, good hardness and electrical conductibility in the basal plans, graphite is used for many years in various tribological fields such as seals, bearings or electrical motor brushes, and also for applications needing excellent lubrication and wearreducing properties. But thanks to its low density, graphite is at the moment destined for technologies which need a reducing of the weight combined with an enhancement of the efficiency, as it is the case in aeronautical industry. In this contexte, the friction and wear of natural (named graphite A) and synthetic (called graphites B and C) powders were evaluated, first at the macroscopic scale when sliding against steel counterfaces, under various applied normal loads. Scanning Electron Microscopy and AFM in tapping mode were used to observe the morphological modifications of the graphites. It is noticed that an enlargement of the applied normal load leads to an increase of the friction coefficient for graphites A and C; but for the graphite B, it seems that a ''limit'' load can induce a complete change of the tribological behaviour. At the same time, the nano-friction properties of these powders were evaluated by AFM measurements in contact mode, at different contact loads. As it was the case at the macroscopic scale, an increase of the nano-contact load induces higher friction coefficients. The determining of the friction and wear mechanisms of the graphite powders, as a function of both their intrinsic characteristics and the applied normal load, is then possible.
Macroscopic Behavior of Nematics with D2d Symmetry
Pleiner, Harald; Brand, Helmut R.
2010-03-01
We discuss the symmetry properties and the macroscopic behavior of a nematic liquid crystal phase with D2d symmetry. Such a phase is a prime candidate for nematic phases made from banana-shaped molecules where the usual quadrupolar order coexists with octupolar (tetrahedratic) order. The resulting nematic phase is non-polar. While this phase could resemble the classic D∞h nematic in the polarizing microscope, it has many static as well as reversible and irreversible properties unknown to non-polar nematics without octupolar order. In particular, there is a linear gradient term in the free energy that selects parity leading to ambidextrously helical ground states when the molecules are achiral. In addition, there are static and irreversible coupling terms of a type only met otherwise in macroscopically chiral liquid crystals, e.g. the ambidextrous analogues of Lehmann-type effects known from cholesteric liquid crystals. Finally, we discuss certain nonlinear aspects of the dynamics related to the non-commutativity of three-dimensional finite rotations as well as other structural nonlinear hydrodynamic effects.
The determination of ionic transport properties at high pressures in a diamond anvil cell
Wang, Qinglin; Liu, Cailong; Han, Yonghao; Gao, Chunxiao; Ma, Yanzhang
2016-12-01
A two-electrode configuration was adopted in an in situ impedance measurement system to determine the ionic conductivity at high pressures in a diamond anvil cell. In the experimental measurements, Mo thin-films were specifically coated on tops of the diamond anvils to serve as a pair of capacitance-like electrodes for impedance spectrum measurements. In the spectrum analysis, a Warburg impedance element was introduced into the equivalent circuit to reveal the ionic transport property among other physical properties of a material at high pressures. Using this method, we were able to determine the ionic transport character including the ionic conductivity and the diffusion coefficient of a sodium azide solid to 40 GPa.
Sarath Kumar, S. R.
2012-02-01
The influence of oxygen vacancies on the transport properties of epitaxial thermoelectric (Sr,La)TiO3 thin films is determined using electrical and spectroscopic ellipsometry (SE) measurements. Oxygen vacancy concentration was varied by ex-situ annealing in Ar and Ar/H2. All films exhibited degenerate semiconducting behavior, and electrical conductivity decreased (258–133 S cm−1) with increasing oxygen content. Similar decrease in the Seebeck coefficient is observed and attributed to a decrease in effective mass (7.8–3.2 me ), as determined by SE. Excellent agreement between transport properties deduced from SE and direct electrical measurements suggests that SE is an effective tool for studying oxide thin film thermoelectrics.
Evaluation of collective transport properties of ionic melts from molecular dynamics simulations
Indian Academy of Sciences (India)
Manish Agarwal; Charusita Chakravarty
2009-09-01
Molecular dynamics simulations of beryllium fluoride (BeF2) have been carried out in the canonical (NVT) ensemble using a rigid-ion potential model. The Green-Kubo formalism has been applied to compute viscosities and ionic conductivities of BeF2 melt. The computational parameters critical for reliably estimating these collective transport properties are shown to differ significantly for viscosity and ionic conductivity. In addition to the equilibrium values of these transport properties, structural relaxation times as well as high-frequency IR-active modes are computed from the pressure and charge-flux auto correlation functions (ACFs) respectively. It is shown that a network-forming ionic melt, such as BeF2, will display persistent oscillatory behaviour of the integral of the charge-flux ACF. By suitable Fourier transformation, one can show that these persistent oscillations correspond to highfrequency, infra-red active vibrations associated with local modes of the network.
Ab initio study of transport properties in defected carbon nanotubes: an O(N) approach
Energy Technology Data Exchange (ETDEWEB)
Biel, Blanca; GarcIa-Vidal, F J; Flores, Fernando [Departamento de Fisica Teorica de la Materia Condensada, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Rubio, Angel [European Theoretical Spectroscopy Facility (ETSF), Departamento de Fisica de Materiales, Universidad PaIs Vasco, Edificio Korta, Avenida Tolosa 72, 20018 San Sebastian (Spain)], E-mail: blanca.biel@cea.fr
2008-07-23
A combination of ab initio simulations and linear-scaling Green's functions techniques is used to analyze the transport properties of long (up to 1 {mu}m) carbon nanotubes with realistic disorder. The energetics and the influence of single defects (monovacancies and divacancies) on the electronic and transport properties of single-walled armchair carbon nanotubes are analyzed as a function of the tube diameter by means of the local orbital first-principles Fireball code. Efficient O(N) Green's functions techniques framed within the Landauer-Buettiker formalism allow a statistical study of the nanotube conductance averaged over a large sample of defected tubes and thus extraction of the nanotube localization length. The cases of zero and room temperature are both addressed.
Crystallization and Transport Properties of Amorphous Cr-Si Thin Film Thermoelectrics
Novikov, S. V.; Burkov, A. T.; Schumann, J.
2014-06-01
We studied the thermoelectric properties, crystallization, and stability of amorphous and nanocrystalline states in Cr-Si composite films. Amorphous films, prepared by magnetron sputtering, were transformed into the nanocrystalline state by annealing with in situ thermopower and electrical resistivity measurements. We have found that the amorphous state is stable in these film composites to about 550 K. Prior to crystallization, the amorphous films undergo a structural relaxation, detected by peculiarities in the temperature dependences of the transport properties, but not visible in x-ray or electron diffraction. The magnitude and temperature dependences of electrical conductivity and thermopower indicate that electron transport in the amorphous films is through extended states. The amorphous films are crystallized at annealing temperatures above 550 K into a nanocrystalline composite with an average grain size of 10-20 nm.
Crystal structure and electrical transport properties of single layered perovskite LaSrCoO4
Ahad, Abdul; Shukla, D. K.; Rahman, F.; Majid, S.; Tarachand; Okram, G. S.; Phase, D. M.
2016-10-01
We present here investigations on the influence of structure on electrical transport properties of polycrystalline LaSrCoO4 that is single layered perovskite with K2NiF4 type structure synthesized using solid state reaction route. Using Reitveld refinement of X-ray diffraction (XRD) data, it is found that the sample is in single phase with tetragonal structure (space group I4/mmm). Electrical resistivity performed in the temperature range 140-300K shows semiconducting character of the sample. Considerable contrasts in the Co-O bond length is associated with the intermediate spin (IS) state of Co ion that correlates the structural and transport properties. Detailed analysis indicates that the temperature dependent electrical resistivity follows the three-dimensional variable range hopping (VRH) model in low temperature region below 225K. The high temperature (225-300K) resistivity data has been found to follow the thermally activated behaviour.
Theoretical study of electronic transport properties of a graphene-silicene bilayer
Berdiyorov, G. R.; Bahlouli, H.; Peeters, F. M.
2015-06-01
Electronic transport properties of a graphene-silicene bilayer system are studied using density-functional theory in combination with the nonequilibrium Green's function formalism. Depending on the energy of the electrons, the transmission can be larger in this system as compared to the sum of the transmissions of separated graphene and silicene monolayers. This effect is related to the increased electron density of states in the bilayer sample. At some energies, the electronic states become localized in one of the layers, resulting in the suppression of the electron transmission. The effect of an applied voltage on the transmission becomes more pronounced in the layered sample as compared to graphene due to the larger variation of the electrostatic potential profile. Our findings will be useful when creating hybrid nanoscale devices where enhanced transport properties will be desirable.
On the statistical and transport properties of a non-dissipative Fermi-Ulam model
Energy Technology Data Exchange (ETDEWEB)
Livorati, André L. P. [Departamento de Física, UNESP - Univ. Estadual Paulista, Ave. 24A, 1515, Bela Vista, 13506-900 Rio Claro, SP (Brazil); Instituto de Física, IFUSP - Universidade de São Paulo, Rua do Matão, Tr.R 187, Cidade Universitária, 05314-970 São Paulo, SP (Brazil); School of Mathematics, University of Bristol, Bristol BS8 1TW (United Kingdom); Dettmann, Carl P. [School of Mathematics, University of Bristol, Bristol BS8 1TW (United Kingdom); Caldas, Iberê L. [Instituto de Física, IFUSP - Universidade de São Paulo, Rua do Matão, Tr.R 187, Cidade Universitária, 05314-970 São Paulo, SP (Brazil); Leonel, Edson D. [Departamento de Física, UNESP - Univ. Estadual Paulista, Ave. 24A, 1515, Bela Vista, 13506-900 Rio Claro, SP (Brazil); Abdus Salam International Center for Theoretical Physics, Strada Costiera 11, 34151 Trieste (Italy)
2015-10-15
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.
Directory of Open Access Journals (Sweden)
Sophia Haussener
2012-01-01
Full Text Available High-resolution X-ray computed tomography is employed to obtain the exact 3D geometrical configuration of porous anisotropic ceria applied in solar-driven thermochemical cycles for splitting H2O and CO2. The tomography data are, in turn, used in direct pore-level numerical simulations for determining the morphological and effective heat/mass transport properties of porous ceria, namely: porosity, specific surface area, pore size distribution, extinction coefficient, thermal conductivity, convective heat transfer coefficient, permeability, Dupuit-Forchheimer coefficient, and tortuosity and residence time distributions. Tailored foam designs for enhanced transport properties are examined by means of adjusting morphologies of artificial ceria samples composed of bimodal distributed overlapping transparent spheres in an opaque medium.
Haussener, Sophia; Steinfeld, Aldo
2012-01-19
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.
The influence of inner hydrophobisation on water transport properties of modified lime plasters
Pavlíková, Milena; Pavlík, Zbyšek; Pernicová, Radka; Černý, Robert
2016-06-01
The effect of hydrophobic agent admixture on water vapour and liquid water transport properties of newly designed lime plasters is analysed in the paper. The major part of physico - chemical building deterioration is related to the penetration of moisture and soluble salts into the building structure. For that reason, the modified lime plasters were in the broad range of basic material properties tested. From the quantitative point of view, the measured results clearly demonstrate the big differences in the behaviour of studied materials depending on applied modifying admixtures. From the practical point of view, plaster made of lime hydrate, metakaolin, zinc stearate and air-entraining agent can be recommended for renovation purposes. The accessed material parameters will be used as input data for computational modelling of moisture transport in this type of porous building materials and will be stored in material database.
Electronic structure and transport properties of the Heusler compound Co{sub 2}TiAl
Energy Technology Data Exchange (ETDEWEB)
Graf, Tanja; Fecher, Gerhard H; Barth, Joachim; Winterlik, Juergen; Felser, Claudia, E-mail: fecher@uni-mainz.d [Johannes Gutenberg Universitaet, Institut fuer Analytische und Anorganische Chemie, 55099 Mainz (Germany)
2009-04-21
The properties of the Heusler compound Co{sub 2}TiAl were investigated in detail by experimental techniques and theoretical methods. X-ray diffraction measurements indicate that as-cast samples of the compound exhibit the L2{sub 1} structure with a small amount of B2-type disorder. This leads to a reduced saturation magnetization per formula unit of 0.747 {mu}{sub B}. The Curie temperature is approximately 120 K. The transport properties are influenced by the change in the electronic structure at the Curie temperature, as revealed experimentally by conductivity, thermal transport and specific heat measurements. Different theoretical models based on ab initio calculations of the electronic structure are used to explain the experimental observations.
Transport properties of boron-doped single-walled silicon carbide nanotubes
Energy Technology Data Exchange (ETDEWEB)
Yang, Y.T. [Key laboratory of Ministry of Education for Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); Ding, R.X., E-mail: rx_ding@163.co [Key laboratory of Ministry of Education for Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); Song, J.X. [Key laboratory of Ministry of Education for Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); School of Electronic Engineering, Xi' an Shiyou University, Xi' an 710075 (China)
2011-01-15
The doped boron (B) atom in silicon carbide nanotube (SiCNT) can substitute carbon or silicon atom, forming two different structures. The transport properties of both B-doped SiCNT structures are investigated by the method combined non-equilibrium Green's function with density functional theory (DFT). As the bias ranging from 0.8 to 1.0 V, the negative differential resistance (NDR) effect occurs, which is derived from the great difficulty for electrons tunneling from one electrode to another with the increasing of localization of molecular orbital. The high similar transport properties of both B-doped SiCNT indicate that boron is a suitable impurity for fabricating nano-scale SiCNT electronic devices.
Magnetization and electric transport properties of single-crystal MgB2 nanowires.
Wu, Cen-Shawn; Chang, Yu-Cheng; Chen, Weimeng; Chen, Chinping; Feng, Qingrong
2012-11-23
High quality single-crystal magnesium diboride (MgB(2)) nanowires with lengths exceeding 10 μm were successfully synthesized by hybrid physical chemical vapor deposition. The magnetization and electrical transport properties of single-crystal MgB(2) nanowires (NWs) were measured. The superconducting transition temperature of the NWs was 37 K, as confirmed by magnetization measurements. The disordered behavior of the nanowires was observed by four-terminal current-voltage characteristic measurements of an individual NW from T = 10 to 300 K. The temperature-dependent resistivity curves for seven NWs collapsed into a universal curve described by the variable range hopping model, showing intrinsic nonmetallic transport properties. This implies that the granular superconducting defect states are critical to the superconductivity of the individual MgB(2) NWs.
Chi, Weiguang
The complex microstructures of thermally sprayed coatings are very sensitive to processing conditions and have a significant influence on the properties. The thermal transport property is a very important design parameter for thermally sprayed coatings. Despite considerable progress in this area, there is continued need to clarify the interrelationships among processing, microstructure and thermal transport properties. This has been enabled through continued advancements in processing science and control, enhancements in microstructural characterization and new methods of property characterization. The purpose of this research is to seek a successive pathway to prior efforts in understanding the effect of microstructural defects on the thermal transport property of thermally sprayed coatings. Relationship between microstructure and thermal conductivity is investigated for three sets of plasma sprayed yttria stabilized zirconia (YSZ) coating systems made using different morphology powders, different particle size distribution and controlled modification of particle states via plasma torch parameters. By integrating the results, maps of the thermal conductivity-porosity relationship have been established. Such maps highlight the role of splat thickness and interfaces in thermal conductivity. Furthermore, a new microstructural parameter termed "effective porosity" is proposed which considers the dominating role of interlamellar pores on through thickness thermal transport in thermally sprayed coatings. This effective porosity is rationalized based on the heat transport mechanism and enables better understanding of microstructure-thermal transport property correlation. An inverse linear model and a percolation model are established which can serve as predictive tools for understanding microstructure-thermal conductivity relationships. In addition, a systematic assessment of thermal conductivity anisotropy has been carried out for YSZ, Al2O 3 and several metallic
Theoretical study of electronic transport properties of a graphene-silicene bilayer
Energy Technology Data Exchange (ETDEWEB)
Berdiyorov, G. R. [Qatar Environment and Energy Research Institute, Qatar Foundation, P.O. Box 5825, Doha (Qatar); Bahlouli, H. [Department of Physics, King Fahd University of Petroleum and Minerals, 31261 Dhahran (Saudi Arabia); Saudi Center for Theoretical Physics, 31261 Dhahran (Saudi Arabia); Peeters, F. M. [Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen (Belgium)
2015-06-14
Electronic transport properties of a graphene-silicene bilayer system are studied using density-functional theory in combination with the nonequilibrium Green's function formalism. Depending on the energy of the electrons, the transmission can be larger in this system as compared to the sum of the transmissions of separated graphene and silicene monolayers. This effect is related to the increased electron density of states in the bilayer sample. At some energies, the electronic states become localized in one of the layers, resulting in the suppression of the electron transmission. The effect of an applied voltage on the transmission becomes more pronounced in the layered sample as compared to graphene due to the larger variation of the electrostatic potential profile. Our findings will be useful when creating hybrid nanoscale devices where enhanced transport properties will be desirable.
Turgman-Cohen, Salomon; Giannelis, Emmanuel P; Escobedo, Fernando A
2015-08-19
The structure and transport properties of physisorbed and chemisorbed CO2 in model polyamine liquids (hexamethylenediamine and diethylenetriamine) are studied via molecular dynamics simulations. Such systems are relevant to CO2 absorption processes where nonaqueous amines are used as absorbents (e.g., when impregnated or grafted onto mesoporous media or misted in the gas phase). It is shown that accounting for the ionic speciation resulting from CO2 chemisorption enabled us to capture the qualitative changes in extent of absorption and fluidity with time that are observed in thermogravimetric experiments. Simulations reveal that high enough concentration of reacted CO2 leads to strong intermolecular ionic interactions and the arrest of molecular translations. The transport properties obtained from the simulations of the ionic speciated mixtures are also used to construct an approximate continuum-level model for the CO2 absorption process that mimics thermogravimetric experiments.
Transport Properties in a One-Dimensional Chain with Randomly Side-Coupled Impurities
Institute of Scientific and Technical Information of China (English)
胡冬生; 张桂平; 熊诗杰
2002-01-01
We investigate the transport properties of a one-dimensional (1D) chain with randomly side-coupled impurities.By using the transfer matrix technique, we present numerical results of the transmission coefficient as a function of the electron energy. It is found that an extended state will be shown in such a random 1D system if the impurities are side-coupled to the chain with not only the nearest-neighbour bonds but also the next-nearest-neighbour bonds. We present an analytical expression for the energy of this extended state, which is determined by the strength of the nearest and next-nearest couplings between the impurities and the chain. The obtained results can be used to explain the transport properties of DNA chains and other quasi-lD organic structures.
Electronic and transport properties of a molecular junction with asymmetric contacts
Tsai, M.-H.; Lu, T.-H.
2010-02-01
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.
Volumetric and Transport Properties of Aqueous NaB(OH)4 Solutions
Institute of Scientific and Technical Information of China (English)
周永全; 房春晖; 房艳; 朱发岩
2013-01-01
Density, pH, viscosity, conductivity and the Raman spectra of aqueous NaB(OH)4 solutions precisely measured as functions of concentration at different temperatures (293.15, 298.15, 303.15, 313.15 and 323.15 K) are presented. Polyborate distributions in aqueous NaB(OH)4 solution were calculated, covering all the concentration range, 4B(OH)− is the most dominant species, other polyborate anions are less than 5.0%. The volumetric and the transport properties were discussed in detail, both of these properties indicate that 4B(OH)− behaves as a struc-ture-disordered anion.
Kažukauskas, V.; Čyras, V.; Pranaitis, M.; Apostoluk, A.; Rocha, L.; Sicot, L.; Raimond, P.; Sentein, C.
2007-03-01
We have investigated properties of poly(9-vinylcarbazole) (PVK) doped with 30% wt 4-dibutylamino-4'-nitrostilbene (DBANS), depending on the orientation of the polar DBANS molecules. Appearance of the orientation-induced built-in electrical field was proven optically by the Solid Electric Field Induced Second Harmonic Generation and electrically by Current-Voltage characterization. Modification of optical properties was evidenced by the spectral dependencies of absorption coefficient. The Thermally Stimulated Currents spectra demonstrated that carrier transport and trapping are affected, too. This paper has been presented at “ECHOS06”, Paris, 28 30 juin 2006.
Strain Modulation of Electronic and Heat Transport Properties of Bilayer Boronitrene
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.
Transport properties of photonic topological insulators based on microring resonator array
Jiang, Xiaohui; Yin, Chenxuan; Zhang, Yanfeng; Chen, Hui; Yu, Siyuan
2016-01-01
An array of ring resonators specifically designed can perform as a topological insulator. We conduct simulations using both Tight-Binding Model (TBM) and Transfer Matrix Method (TMM) to analyze the transport properties of such optical structure, verifying the presence of robust topological edge states which is immune to disorder and defect. We have also made a comparison between these two methods, of which results suggesting that TBM is only applicable under weakly-coupling condition while TMM is more rigorous. Finally we compared the structure with common microring array and coupled resonator optical waveguide (CROW) to demonstrate that it has desired transmission properties with wide and flat spectral response.
Structural, magnetic and transport properties of discontinuous granular multi-layers
Energy Technology Data Exchange (ETDEWEB)
Denardin, J.C. [Instituto de Fisica Gleb Wataghin (IFGW), Universidade Estadual de Campinas (UNICAMP), C.P. 6165, Campinas SP (Brazil); Knobel, M. [Instituto de Fisica Gleb Wataghin (IFGW), Universidade Estadual de Campinas (UNICAMP), C.P. 6165, Campinas SP (Brazil)]. E-mail: knobel@ifi.unicamp.br; Dorneles, L.S. [Departamento de Fisica, CCNE, UFSM 97105-900, Santa Maria RS (Brazil); Schelp, L.F. [Departamento de Fisica, CCNE, UFSM 97105-900, Santa Maria RS (Brazil)
2005-07-15
Results of structural, magnetic and transport properties of magnetic Co/SiO{sub 2} discontinuous multi-layers produced by sequential deposition are presented. Transmission electron microscopy (TEM) images show that the samples that are close to metal-insulation transition are composed by a connected network of metallic paths, and display an enhanced Hall Effect. The granular samples are composed by an almost periodic array of Co nanoparticles, and after annealing these samples show a clear evolution in the nanostructure, with increasing average Co grain sizes and decreasing size dispersion. Relationships between the nanostructure and magnetotransport properties are discussed and compared with previous results obtained in cosputtered films.
Umeda, Minoru; Katagiri, Mitsuhiko; Shironita, Sayoko; Nagayama, Norio
2016-12-01
This paper reports the anisotropic hole transport at the triphenylamine-derivative single crystal surface prepared by a solution method. Triphenylamine derivatives are commonly used in a hole-transport material for organic photoconductors of laser-beam printers, in which the materials are used as an amorphous form. For developing organic photovoltaics using the photoconductor's technology, preparation of a single crystal seems to be a specific way by realizing the high mobility of an organic semiconductor. In this study, a single crystal of 4-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)-benzenamine (TPA) was prepared and its anisotropic hole-transport property measured. First, the hole-transport property of the TPA was investigated based on its chemical structure and electrochemical redox characteristics. Next, a large-scale single crystal formation at a high rate was developed by employing a solution method based on its solubility and supersolubility curves. The grown TPA was found to be a single crystal based on the polarization micrograph observation and crystallographic analysis. For the TPA single crystal, an anisotropic surface conduction was found, which was well explained by its molecular stack structure. The measured current in the long-axis direction is one order of magnitude greater than that of amorphous TPA.
Directory of Open Access Journals (Sweden)
Titus Ntow Ofei
2016-01-01
Full Text Available Narrow annular drilling such as casing-while-drilling technique is gaining popularity due to its ability to mitigate nonproductive time during oil and gas drilling operations. However, very little is known about the flow dynamics in narrow annular drilling. In this study, the Eulerian-Eulerian two-fluid model was used to examine the influence of Yield Power Law fluid rheological properties on cuttings transport in eccentric horizontal narrow annulus. The flow was assumed as fully developed, laminar, and transient state. The present simulation model was validated against experimental data, where a mean percent error of −1.2% was recorded. Results revealed an increase in the radial distribution of cuttings transport velocity in the wide annular region as the consistency index, K, and the flow behavior index, n, increase. Nonetheless, increasing the yield stress, τo, had insignificant effect on the cuttings transport velocity. Three-dimensional profiles showed how cuttings preferred to travel in less resistant flow area, whereas cuttings concentration builds up in the narrow annular region. Furthermore, annular frictional pressure losses also increased as K, n, and τo increased. This study serves as a guide to properly optimize drilling fluid rheological properties for efficient cuttings transport and equivalent circulating density (ECD management in narrow annular drilling.
Directory of Open Access Journals (Sweden)
Yaghoob Farnam
2015-01-01
Full Text Available The chemical interaction between calcium chloride (CaCl2 and cementitious binder may alter the transport properties of concrete which are important in predicting the service life of infrastructure elements. This paper presents a series of fluid and gas transport measurements made on cementitious mortars before and after exposure to various solutions with concentrations ranging from 0% to 29.8% CaCl2 by mass. Fluid absorption, oxygen diffusivity, and oxygen permeability were measured on mortar samples prepared using Type I and Type V cements. Three primary factors influence the transport properties of mortar exposed to CaCl2: (1 changes in the degree of saturation, (2 calcium hydroxide leaching, and (3 formation of chemical reaction products (i.e., Friedel’s salt, Kuzel’s salt, and calcium oxychloride. It is shown that an increase in the degree of saturation decreases oxygen permeability. At lower concentrations (~12%, the formation of chemical reaction products (mainly calcium oxychloride is a dominant factor decreasing the fluid and gas transport in concrete.
Zhu, Zhongcheng; Li, Yang; Xu, Hui; Peng, Xin; Chen, Ya-Nan; Shang, Cong; Zhang, Qin; Liu, Jiaqi; Wang, Huiliang
2016-06-22
Bulk graphene oxide (GO) nanocomposite materials with macroscopically oriented GO liquid crystalline (LC) structures exhibit interesting anisotropic properties, but their facile preparations remain challenging. This work reports for the first time the facile preparation of poly(N-isopropylacrylamide) (PNIPAM)/GO nanocomposite hydrogels with macroscopically oriented LC structures with the assistance of a flow field induced by vacuum degassing and the in situ polymerization accelerated by GO. The hydrogel prepared with a GO concentration of 5.0 mg mL(-1) exhibits macroscopically aligned LC structures, which endow the gels with anisotropic optical, mechanical properties, and dimensional changes during the phase transition. The hydrogels show dramatically enhanced tensile mechanical properties and phase transition rates. The oriented LC structures are not damaged during the phase transition of the PNIPAM/GO hydrogels, and hence their LC behavior undergoes reversible change. Moreover, highly oriented LC structures can also be formed when the gels are elongated, even for the gels which do not have macroscopically oriented LC structures. Very impressively, the oriented LC structures in the hydrogels can be permanently maintained by drying the gel samples elongated to and then kept at a constant tensile strain. The thermosensitive nature of PNIPAM and the angle-dependent nature of the macroscopically aligned GO LC structures allow the practical applications of the PNIPAM/GO hydrogels as optical switches, soft sensors, and actuators and so on.
Macroscopic quantum mechanics in a classical spacetime.
Yang, Huan; Miao, Haixing; Lee, Da-Shin; Helou, Bassam; Chen, Yanbei
2013-04-26
We apply the many-particle Schrödinger-Newton equation, which describes the coevolution of a many-particle quantum wave function and a classical space-time geometry, to macroscopic mechanical objects. By averaging over motions of the objects' internal degrees of freedom, we obtain an effective Schrödinger-Newton equation for their centers of mass, which can be monitored and manipulated at quantum levels by state-of-the-art optomechanics experiments. For a single macroscopic object moving quantum mechanically within a harmonic potential well, its quantum uncertainty is found to evolve at a frequency different from its classical eigenfrequency-with a difference that depends on the internal structure of the object-and can be observable using current technology. For several objects, the Schrödinger-Newton equation predicts semiclassical motions just like Newtonian physics, yet quantum uncertainty cannot be transferred from one object to another.
Macroscopic entrainment of periodically forced oscillatory ensembles.
Popovych, Oleksandr V; Tass, Peter A
2011-03-01
Large-amplitude oscillations of macroscopic neuronal signals, such as local field potentials and electroencephalography or magnetoencephalography signals, are commonly considered as being generated by a population of mutually synchronized neurons. In a computational study in generic networks of phase oscillators and bursting neurons, however, we show that this common belief may be wrong if the neuronal population receives an external rhythmic input. The latter may stem from another neuronal population or an external, e.g., sensory or electrical, source. In that case the population field potential may be entrained by the rhythmic input, whereas the individual neurons are phase desynchronized both mutually and with their field potential. Intriguingly, the corresponding large-amplitude oscillations of the population mean field are generated by pairwise desynchronized neurons oscillating at frequencies shifted far away from the frequency of the macroscopic field potential.
Adsorption modeling for macroscopic contaminant dispersal analysis
Energy Technology Data Exchange (ETDEWEB)
Axley, J.W.
1990-05-01
Two families of macroscopic adsorption models are formulated, based on fundamental principles of adsorption science and technology, that may be used for macroscopic (such as whole-building) contaminant dispersal analysis. The first family of adsorption models - the Equilibrium Adsorption (EA) Models - are based upon the simple requirement of equilibrium between adsorbent and room air. The second family - the Boundary Layer Diffusion Controlled Adsorption (BLDC) Models - add to the equilibrium requirement a boundary layer model for diffusion of the adsorbate from the room air to the adsorbent surface. Two members of each of these families are explicitly discussed, one based on the linear adsorption isotherm model and the other on the Langmuir model. The linear variants of each family are applied to model the adsorption dynamics of formaldehyde in gypsum wall board and compared to measured data.
Macroscopic Invisible Cloak for Visible Light
Zhang, Baile; Liu, Xiaogang; Barbastathis, George
2011-01-01
Invisibility cloaks, a subject that usually occurs in science fiction and myths, have attracted wide interest recently because of their possible realization. The biggest challenge to true invisibility is known to be the cloaking of a macroscopic object in the broad range of wavelengths visible to the human eye. Here we experimentally solve this problem by incorporating the principle of transformation optics into a conventional optical lens fabrication with low-cost materials and simple manufacturing techniques. A transparent cloak made of two pieces of calcite is created. This cloak is able to conceal a macroscopic object with a maximum height of 2 mm, larger than 3500 free-space-wavelength, inside a transparent liquid environment. Its working bandwidth encompassing red, green and blue light is also demonstrated.
2011-01-01
Modeling the Thermodynamic and Transport Properties of Decahydronaphthalene/Propane Mixtures: Phase Equilibria , Density, and Viscosity Nathaniel...Decahydronaphthalene/Propane Mixtures: Phase Equilibria , Density, And Viscosity 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d...Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39-18 Keywords: phase equilibria ; modified Sanchez-Lacombe equation of state
Size distribution and optical properties of African mineral dust after intercontinental transport
Denjean, Cyrielle; Formenti, Paola; Desboeufs, Karine; Chevaillier, Servanne; Triquet, Sylvain; Maillé, Michel; Cazaunau, Mathieu; Laurent, Benoit; Mayol-Bracero, Olga L.; Vallejo, Pamela; Quiñones, Mariana; Gutierrez-Molina, Ian E.; Cassola, Federico; Prati, Paolo; Andrews, Elisabeth; Ogren, John
2016-06-01
The transatlantic transport of mineral dust from Africa is a persistent atmospheric phenomenon, clue for understanding the impacts of dust at the global scale. As part of the DUST Aging and Transport from Africa to the Caribbean (Dust-ATTACk) intensive field campaign, the size distribution and optical properties of mineral dust were measured in June-July 2012 on the east coast of Puerto Rico, more than 5000 km from the west coast of Africa. During the recorded dust events, the PM10 (particulate matter 10 micrometers or less in diameter) concentrations increased from 20 to 70 µg m-3. Remote sensing observations and modeling analysis were used to identify the main source regions, which were found in the Western Sahara, Mauritania, Algeria, Niger, and Mali. The microphysical and optical properties of the dust plumes were almost independent of origin. The size distribution of mineral dust after long-range transport may have modal diameters similar to those on the eastern side of the Atlantic short time after emission, possibly depending on height of transport. Additional submicron particles of anthropogenic absorbing aerosols (likely from regional marine traffic activities) can be mixed within the dust plumes, without affecting in a significant way the PM10 absorption properties of dust observed in Puerto Rico. The Dust-ATTACk experimental data set may be useful for modeling the direct radiative effect of dust. For accurate representation of dust optical properties over the Atlantic remote marine region, we recommend mass extinction efficiency (MEE) and single-scattering albedo values in the range 1.1-1.5 m2 g-1 and 0.97-0.98, respectively, for visible wavelengths.
Transport Properties of Aqueous Glycerol and Aqueous Mannitol through the Zirconium Oxide Membrane
Blokhra; Sharma; Blokhra
1997-08-15
The transport properties of aqueous glycerol and aqueous mannitol across a zirconium oxide membrane are, investigated from the point of view of irreversible thermodynamics. The data on hydrodynamic permeability are analyzed in terms of frictional coefficients and entropy of activation. The phenomenological coefficient characterizing the electroosmotic flow and the membrane characteristics are also estimated for the various solutions with the object of determining the efficiencies of electrokinetic energy conversion and zeta potential. Copyright 1997Academic Press
Institute of Scientific and Technical Information of China (English)
A.Chesnaud; C.Estournes; G.Dezannau
2007-01-01
1 Results Oxy-apatite materials are thought as zirconia-substitutes in Solid Oxide Fuel Cells due to their fast ionic conduction. However, the well known difficulties related to their densification prevent them from being used as such. This study presents strategies to obtain oxy-apatite dense materials and the influence of elaboration route on transport properties. Particular emphasis is put on the microstructure effect on ion conduction. By the combined use of freeze-drying and conventional or spark p...
Energy Technology Data Exchange (ETDEWEB)
Rozhkov, A.V., E-mail: arozhkov@gmail.co [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412, Moscow (Russian Federation); Giavaras, G. [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Bliokh, Yury P. [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, Technion-Israel Institute of Technology, Haifa 32000 (Israel); Freilikher, Valentin [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, Bar-Ilan University, Ramat-Gan 52900 (Israel); Nori, Franco [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, University of Michigan, Ann Arbor, MI 48109-1040 (United States)
2011-06-15
This brief review discusses electronic properties of mesoscopic graphene-based structures. These allow controlling the confinement and transport of charge and spin; thus, they are of interest not only for fundamental research, but also for applications. The graphene-related topics covered here are: edges, nanoribbons, quantum dots, pn-junctions, pnp-structures, and quantum barriers and waveguides. This review is partly intended as a short introduction to graphene mesoscopics.
Mass transport properties of Pu/DT mixtures from orbital free molecular dynamics simulations
Energy Technology Data Exchange (ETDEWEB)
Kress, Joel David [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ticknor, Christopher [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Collins, Lee A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2015-09-16
Mass transport properties (shear viscosity and diffusion coefficients) for Pu/DT mixtures were calculated with Orbital Free Molecular Dynamics (OFMD). The results were fitted to simple functions of mass density (for ρ=10.4 to 62.4 g/cm^{3}) and temperature (for T=100 up to 3,000 eV) for Pu/DT mixtures consisting of 100/0, 25/75, 50/50, and 75/25 by number.
A computational study of the quantum transport properties of a Cu-CNT composite.
Ghorbani-Asl, Mahdi; Bristowe, Paul D; Koziol, Krzysztof
2015-07-28
The quantum transport properties of a Cu-CNT composite are studied using a non-equilibrium Green's function approach combined with the self-consistent-charge density-functional tight-binding method. The results show that the electrical conductance of the composite depends strongly on CNT density and alignment but more weakly on chirality. Alignment with the applied bias is preferred and the conductance of the composite increases as its mass density increases.
Metastable states and macroscopic quantum tunneling in a cold atom josephson ring
Energy Technology Data Exchange (ETDEWEB)
Solenov, Dmitry [Los Alamos National Laboratory; Mozyrsky, Dmitry [Los Alamos National Laboratory
2009-01-01
We study macroscopic properties of a system of weakly interacting neutral bosons confined in a ring-shaped potential with a Josephson junction. We derive an effective low energy action for this system and evaluate its properties. In particular we find that the system possesses a set of metastable current-carrying states and evaluate the rates of transitions between these states due to macroscopic quantum tunneling. Finally we discuss signatures of different metastable states in the time-of-flight images and argue that the effect is observable within currently available experimental technique.
Macroscopic Quantum Resonators (MAQRO): 2015 update
Energy Technology Data Exchange (ETDEWEB)
Kaltenbaek, Rainer [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Aspelmeyer, Markus; Kiesel, Nikolai [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Barker, Peter F.; Bose, Sougato [University College London, Department of Physics and Astronomy, London (United Kingdom); Bassi, Angelo [University of Trieste, Department of Physics, Trieste (Italy); INFN - Trieste Section, Trieste (Italy); Bateman, James [University of Swansea, Department of Physics, College of Science, Swansea (United Kingdom); Bongs, Kai; Cruise, Adrian Michael [University of Birmingham, School of Physics and Astronomy, Birmingham (United Kingdom); Braxmaier, Claus [University of Bremen, Center of Applied Space Technology and Micro Gravity (ZARM), Bremen (Germany); Institute of Space Systems, German Aerospace Center (DLR), Bremen (Germany); Brukner, Caslav [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Austrian Academy of Sciences, Institute of Quantum Optics and Quantum Information (IQOQI), Vienna (Austria); Christophe, Bruno; Rodrigues, Manuel [The French Aerospace Lab, ONERA, Chatillon (France); Chwalla, Michael; Johann, Ulrich [Airbus Defence and Space GmbH, Immenstaad (Germany); Cohadon, Pierre-Francois; Heidmann, Antoine; Lambrecht, Astrid; Reynaud, Serge [ENS-PSL Research University, Laboratoire Kastler Brossel, UPMC-Sorbonne Universites, CNRS, College de France, Paris (France); Curceanu, Catalina [Laboratori Nazionali di Frascati dell' INFN, Frascati (Italy); Dholakia, Kishan; Mazilu, Michael [University of St. Andrews, School of Physics and Astronomy, St. Andrews (United Kingdom); Diosi, Lajos [Wigner Research Center for Physics, P.O. Box 49, Budapest (Hungary); Doeringshoff, Klaus; Peters, Achim [Humboldt-Universitaet zu Berlin, Institut fuer Physik, Berlin (Germany); Ertmer, Wolfgang; Rasel, Ernst M. [Leibniz Universitaet Hannover, Institut fuer Quantenoptik, Hannover (Germany); Gieseler, Jan; Novotny, Lukas; Rondin, Loic [ETH Zuerich, Photonics Laboratory, Zuerich (Switzerland); Guerlebeck, Norman; Herrmann, Sven; Laemmerzahl, Claus [University of Bremen, Center of Applied Space Technology and Micro Gravity (ZARM), Bremen (Germany); Hechenblaikner, Gerald [Airbus Defence and Space GmbH, Immenstaad (Germany); European Southern Observatory (ESO), Garching bei Muenchen (Germany); Hossenfelder, Sabine [KTH Royal Institute of Technology and Stockholm University, Nordita, Stockholm (Sweden); Kim, Myungshik [Imperial College London, QOLS, Blackett Laboratory, London (United Kingdom); Milburn, Gerard J. [University of Queensland, ARC Centre for Engineered Quantum Systems, Brisbane (Australia); Mueller, Holger [University of California, Department of Physics, Berkeley, CA (United States); Paternostro, Mauro [Queen' s University, Centre for Theoretical Atomic, Molecular and Optical Physics, School of Mathematics and Physics, Belfast (United Kingdom); Pikovski, Igor [Harvard-Smithsonian Center for Astrophysics, ITAMP, Cambridge, MA (United States); Pilan Zanoni, Andre [Airbus Defence and Space GmbH, Immenstaad (Germany); CERN - European Organization for Nuclear Research, EN-STI-TCD, Geneva (Switzerland); Riedel, Charles Jess [Perimeter Institute for Theoretical Physics, Waterloo, ON (Canada); Roura, Albert [Universitaet Ulm, Institut fuer Quantenphysik, Ulm (Germany); Schleich, Wolfgang P. [Universitaet Ulm, Institut fuer Quantenphysik, Ulm (Germany); Texas A and M University Institute for Advanced Study (TIAS), Institute for Quantum Science and Engineering (IQSE), and Department of Physics and Astronomy, College Station, TX (United States); Schmiedmayer, Joerg [Vienna University of Technology, Vienna Center for Quantum Science and Technology, Institute of Atomic and Subatomic Physics, Vienna (Austria); Schuldt, Thilo [Institute of Space Systems, German Aerospace Center (DLR), Bremen (Germany); Schwab, Keith C. [California Institute of Technology, Applied Physics, Pasadena, CA (United States)
2016-12-15
Do the laws of quantum physics still hold for macroscopic objects - this is at the heart of Schroedinger's cat paradox - or do gravitation or yet unknown effects set a limit for massive particles? What is the fundamental relation between quantum physics and gravity? Ground-based experiments addressing these questions may soon face limitations due to limited free-fall times and the quality of vacuum and microgravity. The proposed mission Macroscopic Quantum Resonators (MAQRO) may overcome these limitations and allow addressing such fundamental questions. MAQRO harnesses recent developments in quantum optomechanics, high-mass matter-wave interferometry as well as state-of-the-art space technology to push macroscopic quantum experiments towards their ultimate performance limits and to open new horizons for applying quantum technology in space. The main scientific goal is to probe the vastly unexplored 'quantum-classical' transition for increasingly massive objects, testing the predictions of quantum theory for objects in a size and mass regime unachievable in ground-based experiments. The hardware will largely be based on available space technology. Here, we present the MAQRO proposal submitted in response to the 4th Cosmic Vision call for a medium-sized mission (M4) in 2014 of the European Space Agency (ESA) with a possible launch in 2025, and we review the progress with respect to the original MAQRO proposal for the 3rd Cosmic Vision call for a medium-sized mission (M3) in 2010. In particular, the updated proposal overcomes several critical issues of the original proposal by relying on established experimental techniques from high-mass matter-wave interferometry and by introducing novel ideas for particle loading and manipulation. Moreover, the mission design was improved to better fulfill the stringent environmental requirements for macroscopic quantum experiments. (orig.)
A macroscopic approach to creating exotic matter
Ridgely, C. T.
2000-01-01
Herein the Casimir effect is used to present a simple macroscopic view on creating exotic matter. The energy arising between two nearly perfectly conducting parallel plates is shown to become increasingly negative as the plate separation is reduced. It is proposed that the Casimir energy appears increasingly negative simply because the vacuum electromagnetic zero-point field performs positive work in pushing the plates together, transforming field energy into kinetic energy of the plates. Nex...
Shot noise in linear macroscopic resistors
Gomila Lluch, Gabriel; Pennetta, C.; Reggiani, L.; Ferrari, G; Sampietro, M.; G. Bertuccio(Politecnico di Milano, Italy)
2004-01-01
We report on direct experimental evidence of shot noise in a linear macroscopic resistor. The origin of the shot noise comes from the fluctuation of the total number of charge carriers inside the resistor associated with their diffusive motion under the condition that the dielectric relaxation time becomes longer than the dynamic transit time. The present results show that neither potential barriers nor the absence of inelastic scattering are necessary to observe shot noise in electronic devi...
Shot Noise in Linear Macroscopic Resistors
Gomila, G.; Pennetta, C.; Reggiani, L.; Sampietro, M.; Ferrari, G.; Bertuccio, G.
2004-06-01
We report on direct experimental evidence of shot noise in a linear macroscopic resistor. The origin of the shot noise comes from the fluctuation of the total number of charge carriers inside the resistor associated with their diffusive motion under the condition that the dielectric relaxation time becomes longer than the dynamic transit time. The present results show that neither potential barriers nor the absence of inelastic scattering are necessary to observe shot noise in electronic devices.
Macroscopic Objects, Intrinsic Spin, and Lorentz Violation
Atkinson, David W; Tasson, Jay D
2013-01-01
The framework of the Standard-Model Extension (SME) provides a relativistic quantum field theory for the study of Lorentz violation. The classical, nonrelativistic equations of motion can be extracted as a limit that is useful in various scenarios. In this work, we consider the effects of certain SME coefficients for Lorentz violation on the motion of macroscopic objects having net intrinsic spin in the classical, nonrelativistic limit.
Impact of lux gene insertion on bacterial surface properties and transport.
Chen, Gang; Srinivasa Ranga, Vijay Penagonda; Mao, Yongjun; Chen, Kevin; Qiao, Hanzi
2008-03-01
Genetic markers have been in popular use for tracing microbial movement in the environment. However, the impact of genetic marker insertion on microbial surface properties and consequent transport is often ignored. For this research, we investigated the impact of luminescence-based genetic marker insertion on bacterial surface properties and transport. Typical Gram-positive bacterial strains of Lactobacillus casei, Streptococcus mitis and Micrococcus luteus were used as model bacterial strains in this research. We manipulated gene transfer to observe the impact of lux gene insertion on bacterial surface properties based on contact angle measurements, and we conducted column experiments to evaluate the impact of lux gene insertion on bacterial transport. After lux gene insertion, bacterial interactions with the porous media increased, demonstrating stronger deposition potential in the porous media. Accordingly, retention of the daughter strains increased. Lux gene insertion also resulted in an increase in bacterial dispersion and equilibrium adsorption in the porous media. The bacterial deposition coefficient was found to correlate with the free energy of interactions between bacteria and the porous media.
Transport properties of the topological Kondo insulator SmB6 under the irradiation of light
Zhu, Guo-Bao; Yang, Hui-Min
2016-10-01
In this paper, we study transport properties of the X point in the Brillouin zone of the topological Kondo insulator SmB6 under the application of a circularly polarized light. The transport properties at high-frequency regime and low-frequency regime as a function of the ratio (κ) of the Dresselhaus-like and Rashba-like spin-orbit parameter are studied based on the Floquet theory and Boltzmann equation respectively. The sign of Hall conductivity at high-frequency regime can be reversed by the ratio κ and the amplitude of the light. The amplitude of the current can be enhanced by the ratio κ. Our findings provide a way to control the transport properties of the Dirac materials at low-frequency regime. Project supported by the National Natural Science Foundation of China (Grant Nos. 11504095 and 11447145), the Foundation of Heze University (Grant Nos. XY14B002 and XYPY01), and the Project funded by the Higher Educational Science and Technology Program of Shandong Province, China (Grant No. J15LJ55).
Formulating gels for decreased mucociliary transport using rheologic properties: polyacrylic acids.
Shah, Ankur J; Donovan, Maureen D
2007-04-20
The purpose of these studies was to identify the rheologic properties of polyacrylic acid gels necessary for optimal reductions in mucociliary clearance. The mucociliary transport of 2 bioadhesive polyacrylic acid polymers, polycarbophil and carbopol, was assessed in vitro by measuring their clearance rates across explants of ciliated bovine tracheal tissue. The viscoelastic properties of polymer gels were measured in the presence of mucus using controlled stress rheometry. Combinations of apparent viscosity (eta) and complex modulus (G*) were found to be the most useful parameters in the identification of polyacrylic acid formulations capable of decreasing mucociliary transport rate (MTR). A narrow range of eta and G* values suitable for reducing mucociliary clearance, while remaining sufficiently fluid for intranasal administration, were identified. The correlations between the rheologic parameters of the polycarbophil gels and their mucociliary transport rates were used to identify other polyacrylic acid gels that also had suitable mucociliary clearance properties, demonstrating that these parameters can be used to direct the optimization of formulations using simple in vitro rheologic testing.
Calculation of effective transport properties of partially saturated gas diffusion layers
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.
Comparison of transport properties models for numerical simulations of Mars entry vehicles
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.
Abdel-Fattah, Amr I; Zhou, Dongxu; Boukhalfa, Hakim; Tarimala, Sowmitri; Ware, S Doug; Keller, Arturo A
2013-06-04
Subsurface transport of plutonium (Pu) may be facilitated by the formation of intrinsic Pu colloids. While this colloid-facilitated transport is largely governed by the electrokinetic properties and dispersion stability (resistance to aggregation) of the colloids, reported experimental data is scarce. Here, we quantify the dependence of ζ-potential of intrinsic Pu(IV) colloids on pH and their aggregation rate on ionic strength. Results indicate an isoelectric point of pH 8.6 and a critical coagulation concentration of 0.1 M of 1:1 electrolyte at pH 11.4. The ζ-potential/pH dependence of the Pu(IV) colloids is similar to that of goethite and hematite colloids. Colloid interaction energy calculations using these values reveal an effective Hamaker constant of the intrinsic Pu(IV) colloids in water of 1.85 × 10(-19) J, corresponding to a relative permittivity of 6.21 and refractive index of 2.33, in agreement with first principles calculations. This relatively high Hamaker constant combined with the positive charge of Pu(IV) colloids under typical groundwater aquifer conditions led to two contradicting hypotheses: (a) the Pu(IV) colloids will exhibit significant aggregation and deposition, leading to a negligible subsurface transport or (b) the Pu(IV) colloids will associate with the relatively stable native groundwater colloids, leading to a considerable subsurface transport. Packed column transport experiments supported the second hypothesis.
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.
Interaction between growth and transport phenomena in living mixtures
Energy Technology Data Exchange (ETDEWEB)
Grillo, A [DMFCI, Facolta di Ingegneria, Universita di Catania, Viale Andrea Doria 6, 95125 Catania (Italy); Zingali, G [Dottorato di Ricerca in Ingegneria Fisica, Universita di Catania, Viale Andrea Doria 6, 95125 Catania (Italy); Borrello, D [Dottorato di Ricerca in Ingegneria Fisica, Universita di Catania, Viale Andrea Doria 6, 95125 Catania (Italy); Federico, S [HPL - Faculty of Kinesiology, Univesity of Calgary, 2500 University Drive NW, Calgary, Alberta, T2N 1N4 (Canada); Herzog, W [HPL - Faculty of Kinesiology, Univesity of Calgary, 2500 University Drive NW, Calgary, Alberta, T2N 1N4 (Canada); Giaquinta, G [DMFCI, Facolta di Ingegneria, Universita di Catania, Viale Andrea Doria 6, 95125 Catania (Italy)
2007-03-15
Biological growth is regulated by the presence of several chemical substances, and is modulated by thermo-mechanical stimuli. The evolution of chemical substances is described by the advection-diffusion-reaction process of solutes dissolved in the fluid-phase of a biphasic mixture with mass exchange between phases. We present a picture in which growth, by changing material symmetries, modifies the environment in which transport processes take place, and we outline a possible interaction between growth and chemical agents. In order to study this interaction, we use averaging methods to determine the macroscopic counterparts of the transport properties defined at the microscale, and, by writing the macroscopic transport equation in material form, we illustrate how these properties are modulated by growth. In the case of anisotropic growth, such a modulation has a geometric meaning, and is related to both the change of material symmetries, and the development of material inhomogeneities. By regarding growth as a process characterized by a time-scale much slower than that of the transport process of interest, we provide an asymptotic analysis of transport in a growing porous medium based on the adiabatic approximation. We prove that the macroscopic concentration of chemical substances is 'renormalized' by the anisotropy of growth.
REPRESENTING AEROSOL DYNAMICS AND PROPERTIES IN CHEMICAL TRANSPORT MODELS BY THE METHOD OF MOMENTS.
Energy Technology Data Exchange (ETDEWEB)
SCHWARTZ, S.E.; MCGRAW, R.; BENKOVITZ, C.M.; WRIGHT, D.L.
2001-04-01
Atmospheric aerosols, suspensions of solid or liquid particles, are an important multi-phase system. Aerosols scatter and absorb shortwave (solar) radiation, affecting climate (Charlson et al., 1992; Schwartz, 1996) and visibility; nucleate cloud droplet formation, modifying the reflectivity of clouds (Twomey et al., 1984; Schwartz and Slingo, 1996) as well as contributing to composition of cloudwater and to wet deposition (Seinfeld and Pandis, 1998); and affect human health through inhalation (NRC, 1998). Existing and prospective air quality regulations impose standards on concentrations of atmospheric aerosols to protect human health and welfare (EPA, 1998). Chemical transport and transformation models representing the loading and geographical distribution of aerosols and precursor gases are needed to permit development of effective and efficient strategies for meeting air quality standards, and for examining aerosol effects on climate retrospectively and prospectively for different emissions scenarios. Important aerosol properties and processes depend on their size distribution: light scattering, cloud nucleating properties, dry deposition, and penetration into airways of lungs. The evolution of the mass loading itself depends on particle size because of the size dependence of growth and removal processes. For these reasons it is increasingly recognized that chemical transport and transformation models must represent not just the mass loading of atmospheric particulate matter but also the aerosol microphysical properties and the evolution of these properties if aerosols are to be accurately represented in these models. If the size distribution of the aerosol is known, a given property can be evaluated as the integral of the appropriate kernel function over the size distribution. This has motivated the approach of determining aerosol size distribution, and of explicitly representing this distribution and its evolution in chemical transport models.
Directory of Open Access Journals (Sweden)
C. Denjean
2015-08-01
Full Text Available This study presents in situ aircraft measurements of Saharan mineral dust transported over the western Mediterranean basin in June–July 2013 during the ChArMEx/ADRIMED (the Chemistry-Aerosol Mediterranean Experiment/Aerosol Direct Radiative Impact on the regional climate in the MEDiterranean region airborne campaign. Dust events differing in terms of source region (Algeria, Tunisia and Morocco, time of tranport (1–5 days and height of transport were sampled. Mineral dust were transported above the marine boundary layer, which conversely was dominated by pollution and marine aerosols. The dust vertical structure was extremely variable and characterized by either a single layer or a more complex and stratified structure with layers originating from different source regions. Mixing of mineral dust with pollution particles was observed depending on the height of transport of the dust layers. Dust layers carried higher concentration of pollution particles at intermediate altitude (1–3 km than at elevated altitude (> 3 km, resulting in scattering Angstrom exponent up to 2.2 within the intermediate altitude. However, the optical properties of the dust plumes remained practically unchanged with respect to values previously measured over source regions, regardless of the altitude. Moderate light absorption of the dust plumes was observed with values of aerosol single scattering albedo at 530 nm ranging from 0.90 to 1.00 ± 0.04. Concurrent calculations from the aerosol chemical composition revealed a negligible contribution of pollution particles to the absorption properties of the dust plumes that was due to a low contribution of refractory black carbon in regards to the fraction of dust and sulfate particles. This suggests that, even in the presence of moderate pollution, likely a persistent feature in the Mediterranean, the optical properties of the dust plumes could be assimilated to those of native dust in radiative transfer simulations
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.
Ranka, Moulik A.
In this thesis, the effects of surface functionalization using hydrophobic silanes on properties of nanocomposites comprising 42 nm silica particles suspended in a melt of polyethylene-glycol (PEG) are studied using rheological, static and dynamic x-ray scattering studies. The nanocomposites are studied in the low molecular weight unentangled (PEG-400) and high molecular weight entangled (PEG-20000) regimes. We find no differences in the properties of the bare and silanized particles in the low volume fraction regime up to where the interparticle separation distance h > 6Rg. In the region of 6Rg > h > 3Rg (5Rg > h > 3Rg, in case of entangled melts), we find substantial differences in the rheological, structure and transport properties when comparing the bare and silanized particles. In the unentangled melts, we observe up to four orders of magnitude drop in the viscosity of the composites at the highest levels of silanization and observe shear thinning behavior that is unlike what is universally seen for hard spheres. For the entangled melts, a yield stress is observed for the silanized particles that is absent in the case of the bare particles and there is a divergence in the elastic modulus in comparison to bare particles. We observe an anomalous speed up in the density relaxations and an associated maxima in structure properties in the case of unentangled melts which has been reported previously for particles experiencing soft repulsive potentials. A clear reentrant behavior in structure and transport properties is observed for bare particles in the entangled melts that have been previously reported for particles interacting with soft repulsive potentials such as square shoulder and ramp potentials. In the silanized systems, the density relaxation times although lower than bare particles, is ii unaffected by increasing volume fraction up to h ~ 3Rg and is decoupled from the structure properties which are non-monotonic similar to bare particles. In the region of
Large eddy simulation of turbulent statistical and transport properties in stably stratified flows
Institute of Scientific and Technical Information of China (English)
Xiang QIU; Yong-xiang HUANG; Zhi-ming LU; Yu-lu LIU
2009-01-01
Three dimensional large eddy simulation (LES) is performed in the inves-tigation of stably stratified turbulence with a sharp thermal interface. Main results are focused on the turbulent characteristic scale, statistical properties, transport properties,and temporal and spatial evolution of the scalar field. Results show that the buoyancy scale increases first, and then goes to a certain constant value. The stronger the mean shear, the larger the buoyancy scale. The overturning scale increases with the flow, and the mean shear improves the overturning scale. The flatness factor of temperature de-parts from the Ganssian distribution in a fairly large region, and its statistical properties are clearly different from those of the velocity fluctuations in strong stratified cases. Tur-bulent mixing starts from small scale motions, and then extends to large scale motions.
Atomistic Force Field for Pyridinium-Based Ionic Liquids: Reliable Transport Properties
DEFF Research Database (Denmark)
Voroshylova, I. V.; Chaban, V. V.
2014-01-01
Reliable force field (FF) is a central issue in successful prediction of physical chemical properties via computer simulations. This work introduces refined FF parameters for six popular ionic liquids (ILs) of the pyridinium family (butylpyridinium tetrafluoroborate, bis(trifluoromethanesulfonyl)......Reliable force field (FF) is a central issue in successful prediction of physical chemical properties via computer simulations. This work introduces refined FF parameters for six popular ionic liquids (ILs) of the pyridinium family (butylpyridinium tetrafluoroborate, bis......(trifluoromethanesulfonyl)imide, dicyanamide, hexafluorophosphate, triflate, chloride). We elaborate a systematic procedure, which allows accounting for specific cationanion interactions in the liquid phase. Once these interactions are described accurately, all experimentally determined transport properties can be reproduced. We prove...
Strain-modulated electronic and thermal transport properties of two-dimensional O-silica
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.
Han, Ning; Hou, Jared J; Wang, Fengyun; Yip, SenPo; Yen, Yu-Ting; Yang, Zai-Xing; Dong, Guofa; Hung, TakFu; Chueh, Yu-Lun; Ho, Johnny C
2013-10-22
Reliable control in the crystal quality of synthesized III-V nanowires (NWs) is particularly important to manipulate their corresponding electronic transport properties for technological applications. In this report, a "two-step" growth process is adopted to achieve single-crystalline GaAs NWs, where an initial high-temperature nucleation process is employed to ensure the formation of high Ga supersaturated Au7Ga3 and Au2Ga alloy seeds, instead of the low Ga supersaturated Au7Ga2 seeds observed in the conventional "single-step" growth. These two-step NWs are long (>60 μm) and thick (>80 nm) with the minimal defect concentrations and uniform growth orientations. Importantly, these NWs exhibit p-type conductivity as compared to the single-step grown n-type NWs for the same diameter range. This NW conductivity difference (p- versus n-channel) is shown to originate from the donor-like crystal defects, such as As precipitates, induced by the low Ga supersaturated multicrystalline Au7Ga2 alloy seeds. Then the well-controlled crystal quality for desired electronic properties is further explored in the application of large-scale p-type GaAs NW parallel array FETs as well as the integration of both p- and n-type GaAs NWs into CMOS inverters. All these illustrate the successful control of NW crystal defects and corresponding electronic transport properties via the manipulation of Ga supersaturation in the catalytic alloy tips with different preparation methods. The understanding of this relationship between NW crystal quality and electronic transport properties is critical and preferential to the future development of nanoelectronic materials, circuit design, and fabrication.
Transport mechanism and regulatory properties of the human amino acid transporter ASCT2 (SLC1A5).
Scalise, Mariafrancesca; Pochini, Lorena; Panni, Simona; Pingitore, Piero; Hedfalk, Kristina; Indiveri, Cesare
2014-11-01
The kinetic mechanism of the transport catalyzed by the human glutamine/neutral amino acid transporter hASCT2 over-expressed in P. pastoris was determined in proteoliposomes by pseudo-bi-substrate kinetic analysis of the Na(+)-glutamineex/glutaminein transport reaction. A random simultaneous mechanism resulted from the experimental analysis. Purified functional hASCT2 was chemically cross-linked to a stable dimeric form. The oligomeric structure correlated well with the kinetic mechanism of transport. Half-saturation constants (Km) of the transporter for the other substrates Ala, Ser, Asn and Thr were measured both on the external and internal side. External Km were much lower than the internal ones confirming the asymmetry of the transporter. The electric nature of the transport reaction was determined imposing a negative inside membrane potential generated by K(+) gradients in the presence of valinomycin. The transport reaction resulted to be electrogenic and the electrogenicity originated from external Na(+). Internal Na(+) exerted a stimulatory effect on the transport activity which could be explained by a regulatory, not a counter-transport, effect. Native and deglycosylated hASCT2 extracted from HeLa showed the same transport features demonstrating that the glycosyl moiety has no role in transport function. Both in vitro and in vivo interactions of hASCT2 with the scaffold protein PDZK1 were revealed.
Research Update: Structural and transport properties of (Ca,LaFeAs2 single crystal
Directory of Open Access Journals (Sweden)
F. Caglieris
2016-02-01
Full Text Available Structural and transport properties in the normal and superconducting states are investigated in a Ca0.8La0.2FeAs2 single crystal with Tc = 27 K, belonging to the newly discovered 112 family of iron based superconductors. The transport critical current density Jc for both field directions measured in a focused ion beam patterned microbridge reveals a weakly field dependent and low anisotropic behaviour with a low temperature value as high as Jc(B = 0 ∼ 105 A/cm2. This demonstrates not only bulk superconductivity but also the potential of 112 superconductors towards applications. Interestingly, this superconducting compound undergoes a structural transition below 100 K which is evidenced by temperature-dependent X-ray diffraction measurements. Data analysis of Hall resistance and magnetoresistivity indicate that magnetotransport properties are largely dominated by an electron band, with a change of regime observed in correspondence of the onset of a structural transition. In the low temperature regime, the contribution of a hole band to transport is suggested, possibly playing a role in determining the superconducting state.
Research Update: Structural and transport properties of (Ca,La)FeAs{sub 2} single crystal
Energy Technology Data Exchange (ETDEWEB)
Caglieris, F.; Pallecchi, I.; Lamura, G.; Putti, M. [CNR-SPIN and Università di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Sala, A. [CNR-SPIN and Università di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8565 (Japan); Fujioka, M. [National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047 (Japan); Hokkaido University, Sapporo, Hokkaido 001-0020 (Japan); Hummel, F.; Johrendt, D. [Ludwig-Maximilians-Universität München, Department Chemie, Butenandtstr. 5-13, 81377 München (Germany); Takano, Y. [National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047 (Japan); Ishida, S.; Iyo, A.; Eisaki, H. [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8565 (Japan); Ogino, H.; Yakita, H. [Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); Shimoyama, J. [Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physics and Mathematics, Aoyama Gakuin University, 5-10-1 Fuchinobe, Chuo-ku, Sagamihara 252-5258 (Japan)
2016-02-01
Structural and transport properties in the normal and superconducting states are investigated in a Ca{sub 0.8}La{sub 0.2}FeAs{sub 2} single crystal with T{sub c} = 27 K, belonging to the newly discovered 112 family of iron based superconductors. The transport critical current density J{sub c} for both field directions measured in a focused ion beam patterned microbridge reveals a weakly field dependent and low anisotropic behaviour with a low temperature value as high as J{sub c}(B = 0) ∼ 10{sup 5} A/cm{sup 2}. This demonstrates not only bulk superconductivity but also the potential of 112 superconductors towards applications. Interestingly, this superconducting compound undergoes a structural transition below 100 K which is evidenced by temperature-dependent X-ray diffraction measurements. Data analysis of Hall resistance and magnetoresistivity indicate that magnetotransport properties are largely dominated by an electron band, with a change of regime observed in correspondence of the onset of a structural transition. In the low temperature regime, the contribution of a hole band to transport is suggested, possibly playing a role in determining the superconducting state.
Effects of Climate Changes on Firn Properties and Gas Transport in Firn
Stevens, C.; Lundin, J.; Vo, H.; Yoon, M.; Waddington, E. D.
2014-12-01
Knowledge of the physics of firn-density evolution and gas transport in firn has several important applications in glaciology, including (1) correcting for firn air content when estimating ice-sheet mass-balance changes from satellite altimetry and (2) determining the ice-age/gas-age difference for paleoclimate interpretations of ice-core records. The firn-physics group at the University of Washington is developing modular and open-source community models describing evolution of firn density, temperature, diffusivity, and other structural properties affecting gas transport. A novel aspect is that the gas model can be coupled to the density model, allowing bubble-close-off depth, lock-in depth, depth-integrated porosity, and effective diffusivity to evolve in the gas-transport model. This feature allows us to investigate changes in firn physical properties and the evolving impacts of those changes on gas diffusion, thermal and gravitational fractionation, and the mixing ratio of gasses in bubbles trapped in firn during climate change events. Here, we use ice-core derived and synthetic climate data to show the scope of these impacts for gradual and abrupt climate changes.
Research Update: Structural and transport properties of (Ca,La)FeAs2 single crystal
Caglieris, F.; Sala, A.; Fujioka, M.; Hummel, F.; Pallecchi, I.; Lamura, G.; Johrendt, D.; Takano, Y.; Ishida, S.; Iyo, A.; Eisaki, H.; Ogino, H.; Yakita, H.; Shimoyama, J.; Putti, M.
2016-02-01
Structural and transport properties in the normal and superconducting states are investigated in a Ca0.8La0.2FeAs2 single crystal with Tc = 27 K, belonging to the newly discovered 112 family of iron based superconductors. The transport critical current density Jc for both field directions measured in a focused ion beam patterned microbridge reveals a weakly field dependent and low anisotropic behaviour with a low temperature value as high as Jc(B = 0) ˜ 105 A/cm2. This demonstrates not only bulk superconductivity but also the potential of 112 superconductors towards applications. Interestingly, this superconducting compound undergoes a structural transition below 100 K which is evidenced by temperature-dependent X-ray diffraction measurements. Data analysis of Hall resistance and magnetoresistivity indicate that magnetotransport properties are largely dominated by an electron band, with a change of regime observed in correspondence of the onset of a structural transition. In the low temperature regime, the contribution of a hole band to transport is suggested, possibly playing a role in determining the superconducting state.
The influence of doping on the electronic transport properties of InAs nanowires
Energy Technology Data Exchange (ETDEWEB)
Wirths, Stephan; Weis, Karl; Volk, Christian; Alagha, Shima; Akabori, Masashi; Sladek, Kamil; Trellenkamp, Stefan; Lueth, Hans; Schaepers, Thomas; Hardtdegen, Hilde; Gruetzmacher, Detlev [Institut fuer Bio- und Nanosysteme (IBN-1), Forschungszentrum Juelich (Germany); JARA, Fundamentals of Future Information Technology (Germany)
2010-07-01
The investigation of the electrical conductivity of semiconductor nanowires is a crucial step on the road to zero-dimensional electronic systems. Especially the effect of Si-doping on the resistivity plays an important role and has not been investigated, yet. We study the electronic transport properties of n-doped InAs:Si nanowires grown by metal organic vapor phase epitaxy. Nominally undoped wires and Si-doped wires with four different dopant concentrations are examined. Two- and four-terminal transport measurements are performed both at room temperature and at low temperatures down to 4 K. In addition, by using a SiO{sub 2} back gate, we yield field effect transistor characteristics. Hence, the depending of conductivity on the gate voltage is determined. Moreover, we investigate the temperature dependency of transport properties. For the lowest dopant concentration we quantify {rho}=(3.8{+-}0.8) x 10{sup -4} {omega}m and {rho}=(1.8{+-}0.4) x 10{sup -5} {omega}m for the highest dopant concentration. The values of {rho} were averaged over approximately 10 to 30 wires. We can conclude, that Si-doping decreases the resistivity.
Theory of Band Warping and its Effects on Thermoelectronic Transport Properties
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.
Electrical Transport Properties of Mn doped Bi2Se3 Thin Films
Babakiray, Sercan; Johnson, Trent; Borisov, Pavel; Lederman, David
2015-03-01
Magnetic impurity doping in topological insulators manifest itself with a gap opening in the Dirac cone as a result of breaking the time reversal symmetry. Moreover, the magnetic impurities affect the structural and quantum transport properties of topological insulators by increasing the disorder and by changing the bulk charge carrier type, charge carrier density and Hall mobility. Here, we investigated the effect of Mn doping on the structural and electrical transport properties of Bi2-xMnxSe3 thin films which are 12 quintuple layers thick and grown on Al2O3 (0001) single crystal substrates via molecular beam epitaxy (MBE). Hikami-Larkin-Nagaoka (HLN) formalism was used to study the weak antilocalization (WAL). Increasing Mn doping concentration was found to increase the bulk charge carrier density and to decrease the Hall mobility. A decrease was also observed in the phase coherence length related to WAL as a function of Mn content x. Values of another WAL parameter, the pre-factor alpha, showed that the top and bottom surfaces were coupled through the bulk conducting channels. The temperature dependence of phase coherence length indicated the electrical transport was dominated by 2D electron-electron scattering for the undoped, and by bulk weak localization effects for the Mn doped samples, respectively.
Literature Survey of Crude Oil Properties Relevant to Handling and Fire Safety in Transport.
Energy Technology Data Exchange (ETDEWEB)
Lord, David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Luketa, Anay [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Wocken, Chad [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Schlasner, Steve [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Aulich, Ted [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Allen, Ray [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Rudeen, David Keith [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2015-03-01
Several fiery rail accidents in 2013-2015 in the U.S. and Canada carrying crude oil produced from the Bakken region of North Dakota have raised questions at many levels on the safety of transporting this, and other types of crude oil, by rail. Sandia National Laboratories was commissioned by the U.S. Department of Energy to investigate the material properties of crude oils, and in particular the so-called "tight oils" like Bakken that comprise the majority of crude oil rail shipments in the U.S. at the current time. The current report is a literature survey of public sources of information on crude oil properties that have some bearing on the likelihood or severity of combustion events that may occur around spills associated with rail transport. The report also contains background information including a review of the notional "tight oil" field operating environment, as well a basic description of crude oils and potential combustion events in rail transport. This page intentionally blank
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.
Macroscopic superposition states and decoherence by quantum telegraph noise
Energy Technology Data Exchange (ETDEWEB)
Abel, Benjamin Simon
2008-12-19
In the first part of the present thesis we address the question about the size of superpositions of macroscopically distinct quantum states. We propose a measure for the ''size'' of a Schroedinger cat state, i.e. a quantum superposition of two many-body states with (supposedly) macroscopically distinct properties, by counting how many single-particle operations are needed to map one state onto the other. We apply our measure to a superconducting three-junction flux qubit put into a superposition of clockwise and counterclockwise circulating supercurrent states and find this Schroedinger cat to be surprisingly small. The unavoidable coupling of any quantum system to many environmental degrees of freedom leads to an irreversible loss of information about an initially prepared superposition of quantum states. This phenomenon, commonly referred to as decoherence or dephasing, is the subject of the second part of the thesis. We have studied the time evolution of the reduced density matrix of a two-level system (qubit) subject to quantum telegraph noise which is the major source of decoherence in Josephson charge qubits. We are able to derive an exact expression for the time evolution of the reduced density matrix. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Holm, J. A.; Thrower, A. W.; Widmayer, D. A.; Portner, W.
2003-02-26
The shipment of transuranic (TRU) radioactive waste to the Waste Isolation Pilot Plant (WIPP) in New Mexico raised a serious socioeconomic issue - the potential devaluation of property values due to the transportation of TRU waste from generator sites to the disposal facility. In 1992, the New Mexico Supreme Court held in City of Santa Fe v. Komis that a loss in value from public perception of risk was compensable. This issue has become an extremely important one for the development of the Yucca Mountain repository in Nevada for disposal of spent nuclear fuel and high-level radioactive waste. Much research has been conducted about the potential impacts of transportation of spent fuel and radioactive waste. This paper examines the pertinent studies conducted since the Komis case. It examines how the public debate on radioactive materials transportation continues and is now focused on transportation of high-level waste and spent nuclear fuel to the proposed Yucca Mountain repository. Finally, the paper suggests a path forward DOE can take to address this issue.
Charge transport properties of bulk Ta3N5 from first principles
Morbec, Juliana M.; Galli, Giulia
2016-01-01
Tantalum nitride is considered a promising material for photoelectrochemical water splitting, however, its charge transport properties remain poorly understood. We investigated polaronic and band transport in Ta3N5 using first-principles calculations. We first studied the formation of small polarons using density-functional theory (DFT) including DFT +U and hybrid functionals. We found that electron small polarons may occur but hole polarons are not energetically favorable. The estimated polaronic mobility for electrons is at least three orders of magnitude smaller than that measured in Ta3N5 films, suggesting that the main transport mechanism for both electrons and holes is bandlike. Since band transport is strongly affected by the carrier effective masses, and Ta3N5 is known to have large electron and hole effective masses, we also investigated whether substitutional impurities or strain may help lower the effective masses. We found a significant reduction in both electron and hole effective masses (up to 17% for electrons and 39% for holes) under applied strain, which may lead to a substantial improvement (up to 30% for electrons and 15% for holes) in the carrier mobilities.
Zhang, G; Stillinger, F H; Torquato, S
2016-12-28
Disordered hyperuniform many-particle systems have attracted considerable recent attention, since they behave like crystals in the manner in which they suppress large-scale density fluctuations, and yet also resemble statistically isotropic liquids and glasses with no Bragg peaks. One important class of such systems is the classical ground states of "stealthy potentials." The degree of order of such ground states depends on a tuning parameter χ. Previous studies have shown that these ground-state point configurations can be counterintuitively disordered, infinitely degenerate, and endowed with novel physical properties (e.g., negative thermal expansion behavior). In this paper, we focus on the disordered regime (0 two-phase media by circumscribing each point with a possibly overlapping sphere of a common radius a: the "particle" and "void" phases are taken to be the space interior and exterior to the spheres, respectively. The hyperuniformity of such two-phase media depends on the sphere sizes: While it was previously analytically proven that the resulting two-phase media maintain hyperuniformity if spheres do not overlap, here we show numerically that they lose hyperuniformity whenever the spheres overlap. We study certain transport properties of these systems, including the effective diffusion coefficient of point particles diffusing in the void phase as well as static and time-dependent characteristics associated with diffusion-controlled reactions. Besides these effective transport properties, we also investigate several related structural properties, including pore-size functions, quantizer error, an order metric, and percolation thresholds. We show that these transport, geometrical, and topological properties of our two-phase media derived from decorated stealthy ground states are distinctly different from those of equilibrium hard-sphere systems and spatially uncorrelated overlapping spheres. As the extent of short-range order increases, stealthy disordered
DEFF Research Database (Denmark)
Kærn, Martin Ryhl; Modi, Anish; Jensen, Jonas Kjær
2015-01-01
are considered: a flue-gas-based heat recovery boiler for a combined cycle power plant and a hot-oil-based boiler for a solar thermal power plant. The different transport property methods resulted in larger differences at high pressures and temperatures, and a possible discontinuous first derivative, when using...... the interpolative methods in contrast to the corresponding state methods. Nevertheless, all possible mixture transport property combinations used herein resulted in a heat exchanger size within 4.3 % difference for the flue-gas heat recovery boiler, and within 12.3 % difference for the oil-based boiler.......Transport properties of fluids are indispensable for heat exchanger design. The methods for estimating the transport properties of ammonia–water mixtures are not well established in the literature. The few existent methods are developed from none or limited, sometimes inconsistent experimental...
Macroscopic Quantum Criticality in a Circuit QED
Wang, Y D; Nori, F; Quan, H T; Sun, C P; Liu, Yu-xi; Nori, Franco
2006-01-01
Cavity quantum electrodynamic (QED) is studied for two strongly-coupled charge qubits interacting with a single-mode quantized field, which is provided by a on-chip transmission line resonator. We analyze the dressed state structure of this superconducting circuit QED system and the selection rules of electromagnetic-induced transitions between any two of these dressed states. Its macroscopic quantum criticality, in the form of ground state level crossing, is also analyzed, resulting from competition between the Ising-type inter-qubit coupling and the controllable on-site potentials.
Macroscopic fluctuations theory of aerogel dynamics
Lefevere, Raphael; Zambotti, Lorenzo
2010-01-01
We consider extensive deterministic dynamics made of $N$ particles modeling aerogels under a macroscopic fluctuation theory description. By using a stochastic model describing those dynamics after a diffusive rescaling, we show that the functional giving the exponential decay in $N$ of the probability of observing a given energy and current profile is not strictly convex as a function of the current. This behaviour is caused by the fact that the energy current is carried by particles which may have arbitrary low speed with sufficiently large probability.
Electrical and thermal transport property studies of high-temperature thermoelectric materials
Bates, J. L.
1984-12-01
High-temperature materials that exhibit small polaron conduction appear to exhibit the highest figures of merit. A thermoelectric model based on small polaron transport has been developed. The model predicts that broad-band semiconductors with small polarons hopping along inequivalent sites of distorted sublattices can result in increases in both the electrical conductivity and the Seeback coefficient with increasing temperature without significant increases in thermal conductivity. High figures of merit (ZT), greater than 1 at 1000K, that increase with increasing temperatures are predicted. The model is being applied to the divalent metal containing (Y,LA)Cr0(3) systems with an ABO(3) perovskite structure. Transport properties have been determined for various doping elements and for different compositions. These data are being used for the evaluation of this model.
Transport properties of non-conformal gluonic matter from compactified D4 branes
Wu, Chao; Huang, Mei
2015-01-01
We investigate non-conformal transport properties of gluonic matter via the fluid/gravity correspondence from compactified D4 branes. The D4-D6 model and the Sakai-Sugimoto (SS) model are two non-conformal holographic QCD models from top- down, whose background is the compactified D4 black branes under the near horizon limit. By using the dimensional reduction technique, we derive a 5D Einstein gravity minimally coupled with 3 scalar fields from the 10D D4 brane background. Following the boundary derivative expansion formalism of fluid/gravity correspondence, we obtain for the first time all the first order transport coefficients separately for non-conformal gluonic matter, and the ratio of the bulk to shear viscosity and the sound speed are consistent with former studies.
Montes Muñoz, Enrique
2017-01-24
We investigate the electronic transport properties of silicon nanotubes attached to metallic electrodes from first principles, using density functional theory and the non-equilibrium Green\\'s function method. The influence of the surface termination is studied as well as the dependence of the transport characteristics on the chirality, diameter, and length. Strong electronic coupling between nanotubes and electrodes is found to be a general feature that results in low contact resistance. The conductance in the tunneling regime is discussed in terms of the complex band structure. Silicon nanotube field effect transistors are simulated by applying a uniform potential gate. Our results demonstrate very high values of transconductance, outperforming the best commercial silicon field effect transistors, combined with low values of sub-threshold swing.
Energy Technology Data Exchange (ETDEWEB)
Zhang, Haichang; Zhang, Shuo; Mao, Yifan; Liu, Kewei; Chen, Yu-Ming; Jiang, Zhang; Strzalka, Joseph; Yang, Wenjun; Wang, Chien-Lung; Zhu, Yu
2017-06-07
Two novel donor-acceptor pi-conjugated polymers based on naphthodipyrrolidone (NDP) were synthesized and characterized. The polymers possess low band gaps and suitable molecular orbital levels as ambipolar semiconductors. The thin film organic field effect transistor of NDP polymers exhibited ambipolar transport properties with a high electron mobility up to 0.67 cm(2) V-1 s(-1). The grazing-incidence wide-angle X-ray scattering (GIWAXS) studies demonstrated that the polymer molecules pack into a long-range-ordered lamellar structure with isotropically oriented crystalline domains. Thermal annealing promoted edge-on lamellar stacking as evidenced by the increased diffraction intensity along the out-of-plane direction. The polymer with NDP and bithiophene units achieved the best edge-on lamellar stacking after thermal annealing, which yielded the best electron transport performance in this work.
Electronic and Quantum Transport Properties of Atomically Identified Si Point Defects in Graphene.
Lopez-Bezanilla, Alejandro; Zhou, Wu; Idrobo, Juan-Carlos
2014-05-15
We report high-resolution scanning transmission electron microscopy images displaying a range of inclusions of isolated silicon atoms at the edges and inner zones of graphene layers. Whereas the incorporation of Si atoms to a graphene armchair edge involves no reconstruction of the neighboring carbon atoms, the inclusion of a Si atom to a zigzag graphene edge entails the formation of five-membered carbon rings. In all the observed atomic edge terminations, a Si atom is found bridging two C atoms in a 2-fold coordinated configuration. The atomic-scale observations are underpinned by first-principles calculations of the electronic and quantum transport properties of the structural anomalies. Experimental estimations of Si-doped graphene band gaps realized by means of transport measurements may be affected by a low doping rate of 2-fold coordinated Si atoms at the graphene edges, and 4-fold coordinated at inner zones due to the apparition of mobility gaps.
Photo-transport properties of Pb2CrO5 single crystals
Mondal, P. S.; Okazaki, R.; Taniguchi, H.; Terasaki, I.
2014-11-01
We report photo-thermoelectric transport phenomena in Pb2CrO5 single crystals. Without illumination, this material exhibits an insulating behavior characterized by an activation-type temperature variation of the electrical conductivity. The Seebeck coefficient contrastingly shows a crossover from high-temperature insulating to low-temperature metallic behavior, which is attributed to degenerate carriers in a donor level. We have found that under illumination, both the conductivity and the Seebeck coefficient increase in magnitude with increasing photon flux density in the degenerate-conduction regime. This result is difficult to understand within a simple photo-doping effect, which usually leads to a decrease in the Seebeck coefficient under illumination. The observed phenomenon is discussed in terms of a two-carrier contribution to the transport properties.
Photo-transport properties of Pb{sub 2}CrO{sub 5} single crystals
Energy Technology Data Exchange (ETDEWEB)
Mondal, P. S.; Okazaki, R., E-mail: okazaki.ryuji@cc.nagoya-u.ac.jp; Taniguchi, H.; Terasaki, I. [Department of Physics, Nagoya University, Nagoya 464-8602 (Japan)
2014-11-21
We report photo-thermoelectric transport phenomena in Pb{sub 2}CrO{sub 5} single crystals. Without illumination, this material exhibits an insulating behavior characterized by an activation-type temperature variation of the electrical conductivity. The Seebeck coefficient contrastingly shows a crossover from high-temperature insulating to low-temperature metallic behavior, which is attributed to degenerate carriers in a donor level. We have found that under illumination, both the conductivity and the Seebeck coefficient increase in magnitude with increasing photon flux density in the degenerate-conduction regime. This result is difficult to understand within a simple photo-doping effect, which usually leads to a decrease in the Seebeck coefficient under illumination. The observed phenomenon is discussed in terms of a two-carrier contribution to the transport properties.
Effect of substitutional impurities on the electronic transport properties of graphene
Berdiyorov, G. R.; Bahlouli, H.; Peeters, F. M.
2016-10-01
Density-functional theory in combination with the nonequilibrium Green's function formalism is used to study the effect of substitutional doping on the electronic transport properties of hydrogen passivated zig-zag graphene nanoribbon devices. B, N and Si atoms are used to substitute carbon atoms located at the center or at the edge of the sample. We found that Si-doping results in better electronic transport as compared to the other substitutions. The transmission spectrum also depends on the location of the substitutional dopants: for single atom doping the largest transmission is obtained for edge substitutions, whereas substitutions in the middle of the sample give larger transmission for double carbon substitutions. The obtained results are explained in terms of electron localization in the system due to the presence of impurities.
Indian Academy of Sciences (India)
Rakesh Thakkar; Heemanshu Patel; Uma Chudasama
2007-06-01
A new phase of amorphous zirconium phosphate (ZrP), an inorganic ion exchanger of the class of tetravalent metal acid (TMA) salt, is synthesized by sol–gel method. The protons present in the structural hydroxyl groups indicate good potential for TMA salts to exhibit solid state proton conduction. Cu2+ and Li+ are exchanged onto ZrP to yield CuZrP and LiZrP exchanged phases. All these materials were characterized for elemental analysis (ICP–AES), thermal analysis (TGA, DSC), X-ray analysis and FTIR spectroscopy. The transport properties of these materials were explored and compared by measuring conductance at different temperatures using an impedance analyser. It is observed that conductivity decreases with increasing temperature in all cases and mechanism of transportation is proposed to be Grotthuss type. Conductivity performance of ZrP, CuZrP and LiZrP is discussed based on conductivity data and activation energy.
Fundamental investigation of the transport properties of superacids in aqueous and non-aqueous media
Suarez, Sophia
In the quest to develop more efficient energy providers one of the main focus of research has been on the improvement of ion transport. In lithium battery research this has led to the incorporation of various lithium salts, ceramics and plasticizers into the poly(ethylene)oxide (PEO) matrix, the polymer most used In Proton Conduction Membrane (PCM) fuel cell research this has led to the development of new membranes, which are designed with to replicate Nafion's ((c)DuPont) proton transport but also improve upon its deficiency of transporting intact fuel molecules and its dependence upon the presence of solvating water molecules. To better understand the process of ion transport, NMR was used to investigate dynamic properties such as D (self-diffusion coefficient) and T1 (spin-lattice relaxation time) of various proton and lithium ion-conducting systems. Ionic conductivity and viscosity measurements were also performed. The systems studied includes aqueous superacid solutions (trifluoromethanesulfonic (TFSA), para-toluenesulfonic (PTSA) and bis(trifluoromethanesulfonyl)imide (TFSI)); nano-porous (NP-) PCM's incorporating various ceramics and 3M fuel/2M H2SO4 solutions; and P(EO)20LiBETI (LiN(SO 2CF2CF3)2 composite incorporating SiO 2 ceramic nano particles. The objective of the study of the superacid solutions was to determine the effect of concentration on the transport. It was found that beyond the ionic conductivity maximum, fluctuations in both D and T1 supports the existence of local ordering in the ionic network, caused by the reduced solvent dielectric coefficient and increasing viscosity. Of the three superacids TFSA was the most conductive and most affected by reduced solvent concentration. For the P(EO)20LiBETI composite the aim was to determine the effect of the ceramic on the ion transport of the composite in a solvent free environment. Results show that the ceramic causes only modest increase in the lithium transport below 90°C. The objective in the
Raghavan, Balaji; Niknezhad, Davood; Bernard, Fabrice; Kamali-Bernard, Siham
2016-09-01
The transport properties of cementitious composites such as concrete are important indicators of their durability, and are known to be heavily influenced by mechanical loading. In the current work, we use meso-scale hygro-mechanical modeling with a morphological 3D two phase mortar-aggregate model, in conjunction with experimentally obtained properties, to investigate the coupling between mechanical loading and damage and the permeability of the composite. The increase in permeability of a cylindrical test specimen at 28% aggregate fraction during a uniaxial displacement-controlled compression test at 85% of the peak load was measured using a gas permeameter. The mortar's mechanical behavior is assumed to follow the well-known compression damaged plasticity (CDP) model with isotropic damage, at varying thresholds, and obtained from different envelope curves. The damaged intrinsic permeability of the mortar evolves according to a logarithmic matching law with progressive loading. We fit the matching law parameters to the experimental result for the test specimen by inverse identification using our meso-scale model. We then subject a series of virtual composite specimens to quasi-static uniaxial compressive loading with varying boundary conditions to obtain the simulated damage and strain evolutions, and use the damage data and the previously identified parameters to determine the evolution of the macroscopic permeability tensor for the specimens, using a network model. We conduct a full parameter study by varying aggregate volume fraction, granulometric distribution, loading/boundary conditions and "matching law" parameters, as well as for different strain-damage thresholds and uniaxial loading envelope curves. Based on this study, we propose Avrami equation-based upper and lower bounds for the evolution of the damaged permeability of the composite.
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.
Magnetic, transport and structural properties of Co/Ir multilayers grown by molecular beam epitaxy
Energy Technology Data Exchange (ETDEWEB)
Colis, S.; Dinia, A.; Ulhaq-Bouillet, C.; Panissod, P.; Meny, C.; Schmerber, G.; Arabski, J. [IPCMS-GEMME (UMR 7504 du CNRS), 23 rue du Loess, BP 34, F-67034 Strasbourg Cedex 2 (France)
2003-09-01
We report on the structural properties of a [Co{sub 30}/Ir{sub 10}]{sub 10} {sub x} (A) superlattice, as well as on the magnetic and transport properties of a Co{sub 15}/Ir{sub 5}/Co{sub 30} (A) artificial ferrimagnetic system. The samples were grown by molecular beam epitaxy (MBE) on MgO(001) substrates covered with a Ir{sub 130} (A) buffer layer. High resolution cross section and plan view transmission electron microscopy (TEM) images present a high quality epitaxial stack [100]MgO(001) parallel [100]Ir(001) parallel [100]Co(001), with a tetragonalization of the Co fcc structure, due to strains induced by the Ir buffer. TEM images also show that the Co/Ir interfaces are flat, while the layers are continuous and free of bridges. These observations are consistent with zero field nuclear magnetic resonance measurements which indicate an fcc structure of the Co layers, and an interface mixing between Co and Ir limited to one atomic layer. As a consequence the antiferromagnetically coupled Co/Ir/Co sandwich presents large saturation and coercive fields which exceed 20 kOe and 220 Oe, respectively. Annealing made on the same sandwich indicate that the magnetic and transport properties are stable up to 300 C. (copyright 2003 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Pressure tuning of the electrical transport properties of the Weyl semimetal NbP
Energy Technology Data Exchange (ETDEWEB)
Reis, Ricardo dos; Ajeesh, M.O.; Sun, Yan; Shekhar, Chandra; Schmidt, Marcus; Felser, Claudia; Yan, Binghai; Nicklas, Michael [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany)
2016-07-01
Recently enormous attention has been given to a class of material called Weyl semimetal (WSM) due to the prediction of many exotic phenomena, in particular exceptional transport properties, making these systems not only interesting for fundamental research, but also promising materials for novel applications. WSM can be viewed as the hybrid of 3D graphene and topological insulators. The band crossing point, the so-called Weyl point, acts as a magnetic monopole (a singular point of Berry curvature) in momentum space, which always comes in a pairs. If the time-reversal and inversion symmetries are respected, a pair of Weyl points is degenerate in energy, forming another topological phase called Dirac semimetal. Owing this complex band structure the details of the electronic structure can play a significant role in the electrical transport properties of these materials. In this context, external pressure is an important control parameter to effectively tune lattice structures and the corresponding electronic states in a systematic fashion, avoiding the complexity brought by chemical doping. Here, we present a high pressure study of the magnetotransport properties of the Weyl semimetal NbP, which are particularly important to explore novel phenomena and understand the physics behind.
Transport Properties of the Organic Conductor (TMTSF)2BrO4: Evidence of Variable Range Hopping
DEFF Research Database (Denmark)
Mortensen, Kell; Jacobsen, Claus Schelde; Bechgaard, Klaus
1984-01-01
A study of d.c. and microwave conductivity and thermoelectric power of the organic conductor (TMTSF)2BrO4 is presented. The transport properties are in qualitative agreement with charge transport via variable-range hopping among localized states. The localization is attributed to the anions, which...
Quantitative characterization of the microstructure and transport properties of biopolymer networks
Jiao, Yang; Torquato, Salvatore
2012-06-01
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 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 Torquato and Yeong (1997 J. Chem. Phys. 106 8814). 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 relations
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
Manzoni, S.; Hunt, A. G.
2016-12-01
Vegetation growth modulates cycling of water, carbon, and nutrients at local-to-global scales. It is therefore critical to quantify plant growth rates and how they are constrained by environmental conditions (especially limited resource availability). Various theoretical approaches have been proposed to this aim. Specifically, allometric theory provides a powerful tool to describe plant growth form and function, but it is focused on the properties of plant xylem networks, neglecting any role played by soils in supplying water to plants. On the other hand, percolation theory addresses physical constraints imposed by the soil pore network to water and nutrient transport, neglecting roles of root networks and vegetation taking up soil resources. In this contribution, we merge these two perspectives to derive scaling relations between plant size (namely height) and age. Our guiding hypothesis is that the root network expands in the soil at a rate sufficient to match the rate of transport of water and nutrients in an idealized optimal fractal pore network, as predicted by percolation theory; with nutrient transport distance vs. time scaling exponent 0.82, and water transport (saturated conditions) distance vs. time scaling exponent 1. The root expansion rate is mirrored by growth aboveground, as in allometric theory, which predicts an isometric relation between root extension and plant height. Building on these results, we predict that the scaling of plant height and age should also have exponent 0.82 in natural systems where nutrients are heterogeneously distributed, and 1 in fertilized systems where nutrients are homogeneously distributed. These predictions are successfully tested with extensive datasets covering major plant functional types worldwide, showing that soil and root network properties constrain vegetation growth by setting limits to the rates of water and nutrient supply to plants.
Directory of Open Access Journals (Sweden)
Luojun Du
2016-09-01
Full Text Available Theoretical calculation and experimental measurement have shown that twin grain boundary (GB of molybdenum disulphide (MoS2 exhibits extraordinary effects on transport properties. Precise transport measurements need to verify the transport mechanism of twin GB in MoS2. Here, monolayer molybdenum disulphide with a twin grain boundary was grown in our developed low-pressure chemical vapor deposition (CVD system, and we investigated how the twin GB affects the electrical transport properties of MoS2 by temperature-dependent transport studies. At low temperature, the twin GB can increase the in-plane electrical conductivity of MoS2 and the transport exhibits variable-range hopping (VRH, while at high temperature, the twin GB impedes the electrical transport of MoS2 and the transport exhibits nearest-neighbor hopping (NNH. Our results elucidate carrier transport mechanism of twin GB and give an important indication of twin GB in tailoring the electronic properties of MoS2 for its applications in next-generation electronics and optoelectronic devices.
Spin models as microfoundation of macroscopic market models
Krause, Sebastian M.; Bornholdt, Stefan
2013-09-01
Macroscopic price evolution models are commonly used for investment strategies. There are first promising achievements in defining microscopic agent based models for the same purpose. Microscopic models allow a deeper understanding of mechanisms in the market than the purely phenomenological macroscopic models, and thus bear the chance for better models for market regulation. However microscopic models and macroscopic models are commonly studied separately. Here, we exemplify a unified view of a microscopic and a macroscopic market model in a case study, deducing a macroscopic Langevin equation from a microscopic spin market model closely related to the Ising model. The interplay of the microscopic and the macroscopic view allows for a better understanding and adjustment of the microscopic model, as well, and may guide the construction of agent based market models as basis of macroscopic models.
Enhanced carrier transport along edges of graphene devices.
Chae, Jungseok; Jung, Suyong; Woo, Sungjong; Baek, Hongwoo; Ha, Jeonghoon; Song, Young Jae; Son, Young-Woo; Zhitenev, Nikolai B; Stroscio, Joseph A; Kuk, Young
2012-04-11
The relation between macroscopic charge transport properties and microscopic carrier distribution is one of the central issues in the physics and future applications of graphene devices (GDs). We find strong conductance enhancement at the edges of GDs using scanning gate microscopy. This result is explained by our theoretical model of the opening of an additional conduction channel localized at the edges by depleting accumulated charge by the tip.
Li, Qiang
The purposes of this thesis were to investigate the influence of the vapor phase stoichiometry in the ambient on electrical properties of silicon carbide grown by physical vapor transport (PVT) process in order to provide a better understanding of the nature of the compensation mechanisms in semi-insulating SiC crystals. Standard PVT and hydrogen-assisted PVT processes have been used to grow SiC single crystals. Chemical elemental analysis, contactless resistivity mapping (COREMA), temperature dependent Hall measurements (TDH), deep level transient spectroscopy (DLTS), and minority diffusion length measurements were performed to characterize the properties of SiC wafers. The nitrogen contamination, the net carrier concentrations, and the concentrations of the major deep traps in the undoped and nitrogen-doped SiC crystals were found to substantially decrease during the standard PVT growth when moving from seed to tail of the crystal. Addition of hydrogen to the growth ambient changed all the properties in the same direction. As a consequence of the doping and deep traps variations, the electrical properties including resistivity, Fermi energy, and minority carrier lifetime continuously changed during the growth. The results of the hydrogen-assisted PVT growth and the virtual reactor growth modeling indicated that the electrical properties change as a function of stoichiometry in the vapor phase, and the carbon transport efficiency can be enhanced by the reactions of hydrogen with the SiC charge material and the graphite parts of the crucible. Thermodynamic calculation of the vapor phase stoichiometry and the studies of the properties of H2-assisted PVT-grown crystals have shown that hydrogen can be used as a key factor controlling the vapor phase stoichiometry in the PVT process; in this manner the purity, electrical uniformities and the yield of the semi-insulating wafers can be improved to a great extent. The electron mobility values were found unusually low in
Jensen, L; Swart, M; van Duijnen, PT
2005-01-01
A polarizable quantum mechanics and molecular mechanics model has been extended to account for the difference between the macroscopic electric field and the actual electric field felt by the solute molecule. This enables the calculation of effective microscopic properties which can be related to mac
A macroscopic description of coherent geo-magnetic radiation from cosmic-ray air showers
Scholten, O.; Werner, K.; Rusydi, F.
2008-01-01
We have developed a macroscopic description of coherent electromagnetic radiation from air showers initiated by ultra-high-energy cosmic rays due to the presence of the geo-magnetic field. This description offers it simple and direct insight in the relation between the properties of the air shower a
Hanna, Amir
2012-06-01
Organic ferroelectrics polymers have recently received much interest for use in nonvolatile memory devices. The ferroelectric copolymer poly(vinylidene fluoride- trifluoroethylene) , P(VDF-TrFE), is a promising candidate due to its relatively high remnant polarization, low coercive field, fast switching times, easy processability, and low Curie transition. However, no detailed study of charge injection and current transport properties in P(VDF-TrFE) have been reported in the literature yet. Charge injection and transport are believed to affect various properties of ferroelectric films such as remnant polarization values and polarization fatigue behavior.. Thus, this thesis aims to study charge injection in P(VDF-TrFE) and its transport properties as a function of electrode material. Injection was studied for Al, Ag, Au and Pt electrodes. Higher work function metals such as Pt have shown less leakage current compared to lower work function metals such as Al for more than an order of magnitude. That implied n-type conduction behavior for P(VDF-TrFE), as well as electrons being the dominant injected carrier type. Charge transport was also studied as a function of temperature, and two major transport regimes were identified: 1) Thermionic emission over a Schottky barrier for low fields (E < 25 MV/m). 2) Space-Charge-Limited regime at higher fields (25 < E <120 MV/m). We have also studied the optical imprint phenomenon, the polarization fatigue resulting from a combination of broad band optical illumination and DC bias near the switching field. A setup was designed for the experiment, and validated by reproducing the reported effect in polycrystalline Pb(Zr,Ti)O3 , PZT, film. On the other hand, P(VDF-TrFE) film showed no polarization fatigue as a result of optical imprint test, which could be attributed to the large band gap of the material, and the low intensity of the UV portion of the arc lamp white light used for the experiment. Results suggest using high work
The Effect of Fluid Properties on Field-Scale Anion Transport During Intermittent Unsaturated Flow
Ward, A.; Gee, G. W.; Zhang, Z. F.
2001-12-01
Laboratory-scale experiments suggest that the properties of hypersaline fluids may influence transport behavior, to extent of finger formation, though an interaction between fluid and hydraulic properties. Yet, the importance of these mechanisms to field-scale transport is largely unknown, thereby limiting the accuracy of contaminant transport predictions. To assess the importance of these interactions in field-scale solute transport, tank leaks were simulated by performing a series of injections, using solute-free and hypersaline waters, in two consecutive years. Starting in May 2000, five 4000-L injections of Columbia River water were made with no-flow periods occurring every 3-5 days. The third injection contained 1000 ppm of Br- and a suite of isotopic tracers. In May 2001, the experiment was repeated with five 4000-L injections of saturated sodium thiosulfate containing 2500 ppm of Cl- with no-flow periods occurring every 3-5 days. Water content distributions were measured by neutron probe in 32 wells (18 m deep) arranged in a concentric pattern extending to 16 m in diameter. Water extracts from soil cores were analyzed for anions including Fl-, Cl-, Br-, NO3{-}, PO42-, SO42-, and S2O32-. Differences in the location of the wetting and solute fronts were apparent with the magnitude dependent on fluid constitution. Resident concentration profiles were generally asymmetric with a large mass occurring at 5-7 m, and a smaller mass at 10-12 m. Fine-textured layers at 6 and 11 m caused a substantial increase in lateral solute convection and confined longitudinal spreading to 12 m, except at one location where solute was detected at 16 m. The locations of multiple peaks were coincident with the finer-textured lenses, emphasizing the need to consider local-scale textural discontinuities in conceptual models of field-scale transport at the Hanford Site. Results show no evidence of fingering due to fluid properties. Pacific Northwest National Laboratory is operated for
Alizadeh, S. M.; Latham, S.; Middleton, J.; Limaye, A.; Senden, T. J.; Arns, C. H.
2017-02-01
Assessing the mechanisms of micro-structural change and their effect on transport properties using digital core analysis requires balancing field of view and resolution. This typically leads to the compromise of working with relatively small samples, where boundary effects can be substantial. A direct comparison with experiment, as e.g. desirable to eliminate unknown parameters and integrate numerical and physical experiments, needs to consider these boundary effects. Here we develop a workflow to define measuring windows within a sample where these boundary effects are minimised allowing the integration of physical and numerical experiment. We consider in particular sleeve leakage and use a radial partitioning of the solutions to various transport equations to derive relevant regional measures, which may be used for the development of cross-correlations between physical properties. Samples of Bentheimer and Castlegate sandstone as well as Mt. Gambier limestone and a sucrosic dolomite are considered. The sample plugs are encased in rubber sleeves and micro-CT images acquired at ambient conditions. Using these high-resolution images we calculate transport properties, namely permeability and electrical conductivity, and analyse the resulting field solutions with regard to flux across different regions of interest. The latter are selected on the basis of distance to the sample sleeve inner surface. Clear bypassing at the sleeve-sample interface in terms of elevated fluxes is observed for all samples, although to different extent. We consider different sleeve boundary conditions to define a measuring window minimising these effects, use the procedure to compare flux averages defined over these measuring windows with conventional choices of simulation domains, and compare resulting physical cross-correlations.
High field transport properties of MBE processed Fe-based superconducting thin films
Energy Technology Data Exchange (ETDEWEB)
Iida, Kazumasa [Nagoya University (Japan); IFW Dresden (Germany)
2015-07-01
It has been reported that Fe-based superconductors show high upper critical fields with low anisotropies at low temperatures. Hence these materials may offer a unique possibility for high field magnet applications. However, only a few reports on high-field transport properties of Co-doped Ba-122 and Fe(Se,Te) have been published and the only one for SmFeAs(O,F) thin films to date. In order to use this material class for applications, the knowledge of in-field and its orientation dependence of transport properties in a wide range of external fields need to be clarified. In this talk, I will report on high-field (up to dc 45 T) transport properties of P-doped Ba-122, SmFeAs(O,F) and NdFeAs(O,F) thin films prepared by MBE. Although P-doped Ba-122 has the lowest T{sub c}, self-field J{sub c} of over 6 MA/cm{sup 2} at 4.2 K is recorded, which is the highest value ever reported in Fe-based superconductors. Additionally, in-field performance of P-doped Ba-122 shows comparable to those of NdFeAs(O,F) and SmFeAs(O,F) for Hc. On the other hand, both NdFeAs(O,F) and SmFeAs(O,F) exhibited higher J{sub c} for H parallel ab due to the intrinsic pinning. These results indicate that P-doped Ba-122 is the most promising candidates for high-field magnet applications.
Controlling In–Ga–Zn–O thin films transport properties through density changes
Energy Technology Data Exchange (ETDEWEB)
Kaczmarski, Jakub, E-mail: kaczmarski@ite.waw.pl [Institute of Electron Technology, al. Lotników 32/46, 02-668 Warsaw (Poland); Boll, Torben [Department of Applied Physics, Chalmers University of Technology, Fysikgränd 3, SE-412 96 Gothenburg (Sweden); Borysiewicz, Michał A. [Institute of Electron Technology, al. Lotników 32/46, 02-668 Warsaw (Poland); Taube, Andrzej [Institute of Electron Technology, al. Lotników 32/46, 02-668 Warsaw (Poland); Institute of Microelectronics & Optoelectronics, Warsaw University of Technology, ul. Koszykowa 75, 00-662 Warsaw (Poland); Thuvander, Mattias; Law, Jia Yan [Department of Applied Physics, Chalmers University of Technology, Fysikgränd 3, SE-412 96 Gothenburg (Sweden); Kamińska, Eliana [Institute of Electron Technology, al. Lotników 32/46, 02-668 Warsaw (Poland); Stiller, Krystyna [Department of Applied Physics, Chalmers University of Technology, Fysikgränd 3, SE-412 96 Gothenburg (Sweden)
2016-06-01
In the following study we investigate the effect of the magnetron cathode current (I{sub c}) during reactive sputtering of In–Ga–Zn–O (a-IGZO) on thin-films nanostructure and transport properties. All fabricated films are amorphous, according to X-ray diffraction measurements. However, High Resolution Transmission Electron Microscopy revealed the a-IGZO fabricated at I{sub C} = 70 mA to contain randomly-oriented nanocrystals dispersed in amorphous matrix, which disappear in films deposited at higher cathode current. These nanocrystals have the same composition as the amorphous matrix. One can observe that, while I{sub C} is increased from 70 to 150 mA, the carrier mobility improves from μ{sub Hall} = 6.9 cm{sup 2}/Vs to μ{sub Hall} = 9.1 cm{sup 2}/Vs. Additionally, the increase of I{sub C} caused a reduction of the depletion region trap states density of the Ru–Si–O/In–Ga–Zn–O Schottky barrier. This enhancement in transport properties is attributed to the greater overlapping of s-orbitals of the film-forming cations caused by increased density, evidenced by X-ray reflectivity, at a fixed chemical composition, regardless nanostructure of thin films. - Highlights: • Magnetron cathode current (I{sub C}) controls the transport properties of In–Ga–Zn–O (IGZO). • Low I{sub C} results in IGZO films with nanocrystalline inclusions in amorphous matrix. • High I{sub C} reduces the number of trap states in depletion region of Schottky contacts.
The phase diagram and transport properties of MgO from theory and experiment
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.