Solid state properties from bulk to nano

CERN Document Server

Dresselhaus, Mildred; Cronin, Stephen; Gomes Souza Filho, Antonio

2018-01-01

This book fills a gap between many of the basic solid state physics and materials science books that are currently available. It is written for a mixed audience of electrical engineering and applied physics students who have some knowledge of elementary undergraduate quantum mechanics and statistical mechanics. This book, based on a successful course taught at MIT, is divided pedagogically into three parts: (I) Electronic Structure, (II) Transport Properties, and (III) Optical Properties. Each topic is explained in the context of bulk materials and then extended to low-dimensional materials where applicable. Problem sets review the content of each chapter to help students to understand the material described in each of the chapters more deeply and to prepare them to master the next chapters.

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

Czech Academy of Sciences Publication Activity Database

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

2003-01-01

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

Lithium-ion transport in inorganic solid state electrolyte

International Nuclear Information System (INIS)

Gao Jian; Li Hong; Zhao Yu-Sheng; Shi Si-Qi

2016-01-01

An overview of ion transport in lithium-ion inorganic solid state electrolytes is presented, aimed at exploring and designing better electrolyte materials. Ionic conductivity is one of the most important indices of the performance of inorganic solid state electrolytes. The general definition of solid state electrolytes is presented in terms of their role in a working cell (to convey ions while isolate electrons), and the history of solid electrolyte development is briefly summarized. Ways of using the available theoretical models and experimental methods to characterize lithium-ion transport in solid state electrolytes are systematically introduced. Then the various factors that affect ionic conductivity are itemized, including mainly structural disorder, composite materials and interface effects between a solid electrolyte and an electrode. Finally, strategies for future material systems, for synthesis and characterization methods, and for theory and calculation are proposed, aiming to help accelerate the design and development of new solid electrolytes. (topical review)

Magnetic and transport properties of Fe{sub {beta}}V{sub 1-{beta}} atom bridge constructed between an STM tip and a solid surface

Energy Technology Data Exchange (ETDEWEB)

Nakanishi, Hiroshi; Kasai, Hideaki E-mail: kasai@dyn.ap.eng.osaka-u.ac.jp; Kishi, Tomoya; Dino, W.A.; Komori, Fumio; Okiji, Ayao

2004-05-01

We have investigated the magnetic and transport properties of an atom bridge made from magnetic materials, which is an atom-scale wire constructed between a scanning tunneling microscopy tip and a solid surface, with the aid of ab initio calculations. In the case of Fe{sub {beta}}V{sub 1-{beta}} alloy atom bridges, we have found that the value of the mean magnetic moment is similar to that of the corresponding alloy bulk, and the quantized conductance contribution from both the majority and minority spin electrons changes as {beta} changes. These properties are different from the case of Fe{sub 1-{alpha}}Ni{sub {alpha}} alloy atom bridge.

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

Czech Academy of Sciences Publication Activity Database

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

2016-01-01

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

Optical properties of solids

CERN Document Server

Wooten, Frederick

1972-01-01

Optical Properties of Solids covers the important concepts of intrinsic optical properties and photoelectric emission. The book starts by providing an introduction to the fundamental optical spectra of solids. The text then discusses Maxwell's equations and the dielectric function; absorption and dispersion; and the theory of free-electron metals. The quantum mechanical theory of direct and indirect transitions between bands; the applications of dispersion relations; and the derivation of an expression for the dielectric function in the self-consistent field approximation are also encompassed.

Electronic Structure and Transport in Solids from First Principles

Science.gov (United States)

Mustafa, Jamal Ibrahim

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

Electron Transport Properties of Ge nanowires

Science.gov (United States)

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

2003-03-01

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

Gas transport in solid oxide fuel cells

CERN Document Server

He, Weidong; Dickerson, James

2014-01-01

This book provides a comprehensive overview of contemporary research and emerging measurement technologies associated with gas transport in solid oxide fuel cells. Within these pages, an introduction to the concept of gas diffusion in solid oxide fuel cells is presented. This book also discusses the history and underlying fundamental mechanisms of gas diffusion in solid oxide fuel cells, general theoretical mathematical models for gas diffusion, and traditional and advanced techniques for gas diffusivity measurement.

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

Czech Academy of Sciences Publication Activity Database

Turek, Ilja

2016-01-01

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

Unraveling the Solution-State Supramolecular Structures of Donor-Acceptor Polymers and their Influence on Solid-State Morphology and Charge-Transport Properties.

Science.gov (United States)

Zheng, Yu-Qing; Yao, Ze-Fan; Lei, Ting; Dou, Jin-Hu; Yang, Chi-Yuan; Zou, Lin; Meng, Xiangyi; Ma, Wei; Wang, Jie-Yu; Pei, Jian

2017-11-01

Polymer self-assembly in solution prior to film fabrication makes solution-state structures critical for their solid-state packing and optoelectronic properties. However, unraveling the solution-state supramolecular structures is challenging, not to mention establishing a clear relationship between the solution-state structure and the charge-transport properties in field-effect transistors. Here, for the first time, it is revealed that the thin-film morphology of a conjugated polymer inherits the features of its solution-state supramolecular structures. A "solution-state supramolecular structure control" strategy is proposed to increase the electron mobility of a benzodifurandione-based oligo(p-phenylene vinylene) (BDOPV)-based polymer. It is shown that the solution-state structures of the BDOPV-based conjugated polymer can be tuned such that it forms a 1D rod-like structure in good solvent and a 2D lamellar structure in poor solvent. By tuning the solution-state structure, films with high crystallinity and good interdomain connectivity are obtained. The electron mobility significantly increases from the original value of 1.8 to 3.2 cm 2 V -1 s -1 . This work demonstrates that "solution-state supramolecular structure" control is critical for understanding and optimization of the thin-film morphology and charge-transport properties of conjugated polymers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Physical properties of solids

International Nuclear Information System (INIS)

Anon.

1977-01-01

Research at ORNL into the physical properties of solids is described. Topics covered include: optical, electrical, and magnetic properties of magnesium oxide; ionic conductivity and superconductivity; surface physics and catalysis; defects and impurities in insulating crystals; photovoltaic conversion of solar energy; and fracture studies

Physical properties of solids

Energy Technology Data Exchange (ETDEWEB)

Wilkinson, M. K.; Young, Jr, F. W.

1977-10-01

Research at ORNL into the physical properties of solids is described. Topics covered include: optical, electrical, and magnetic properties of magnesium oxide; ionic conductivity and superconductivity; surface physics and catalysis; defects and impurities in insulating crystals; photovoltaic conversion of solar energy; and fracture studies. (GHT)

End-Member Formulation of Solid Solutions and Reactive Transport

Energy Technology Data Exchange (ETDEWEB)

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

2015-09-01

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

Thermodynamic and transport properties of liquid gallium

International Nuclear Information System (INIS)

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

1982-01-01

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

Selected Topics on Mass Transport in Gas-solid Interactions

DEFF Research Database (Denmark)

Somers, Marcel A.J.

2004-01-01

The present article is a short review containing examples of the role of mass transport in the solid state during gas-solid interactions. Examples are taken from the authors' research on the interaction of carbon and/or nitrogen with iron-based metals. Topics dealt with are diffusion-controlled d......The present article is a short review containing examples of the role of mass transport in the solid state during gas-solid interactions. Examples are taken from the authors' research on the interaction of carbon and/or nitrogen with iron-based metals. Topics dealt with are diffusion...... on the kinetics of phenomena in the solid state. Various experimental techniques were applied to investigate these phenomena; it is however beyond the scope of the present article to treat experimental conditions in detail. The interested reader is referred to the original work for in depth discussions...

Electronic transport properties

International Nuclear Information System (INIS)

Young, W.H.

1985-01-01

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

Experimental characterization of solid particle transport by slug flow using Particle Image Velocimetry

International Nuclear Information System (INIS)

Goharzadeh, A; Rodgers, P

2009-01-01

This paper presents an experimental study of gas-liquid slug flow on solid particle transport inside a horizontal pipe with two types of experiments conducted. The influence of slug length on solid particle transportation is characterized using high speed photography. Using combined Particle Image Velocimetry (PIV) with Refractive Index Matching (RIM) and fluorescent tracers (two-phase oil-air loop) the velocity distribution inside the slug body is measured. Combining these experimental analyses, an insight is provided into the physical mechanism of solid particle transportation due to slug flow. It was observed that the slug body significantly influences solid particle mobility. The physical mechanism of solid particle transportation was found to be discontinuous. The inactive region (in terms of solid particle transport) upstream of the slug nose was quantified as a function of gas-liquid composition and solid particle size. Measured velocity distributions showed a significant drop in velocity magnitude immediately upstream of the slug nose and therefore the critical velocity for solid particle lifting is reached further upstream.

Charge transport properties in microcrystalline KDyFe(China)6

International Nuclear Information System (INIS)

Aubert, P.H.; Goubard, F.; Chevrot, C.; Tabuteau, A.

2007-01-01

Microcrystalline solid dysprosium(III) hexacyanoferrate(II) was synthesized by co-precipitation in aqueous solution. The resulting solid has been studied by Fourier transform infrared spectroscopy, X-ray analysis and solid state electrochemistry. The use of a cavity microelectrode was necessary to explore a wide range of time scale and minimize the (undesired) capacitive currents. Cyclic voltametric experiments were very helpful to understand the kinetic of charge transfer in such microstructure. A structure-properties relationship has been established from the crystallographic and the electrochemical properties. A square-scheme is presented to explain the unique electrochemical behavior of hexacyanoferrate containing dysprosium since this compound exhibits a second redox system. The solid presents an open channel-like morphology in which the motion of charged species occurs during the redox processes. Precisely, the electronic transfer is accompanied by a cation diffusion inside the microcrystalline structure. The size of these channels strongly suggests that the kinetic of charge transfer is limited by the cation transport into these structures. - Graphical abstract: Dy and Fe polyhedra packing in the cell of KDyFe(China) 6 .3.5H 2 O shows occluded water molecules and potassium ions forming a pseudohexagonal 2D sub-lattice connected to each other by diffusion channels

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

Science.gov (United States)

Shulenburger, Luke

2013-06-01

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

Atomic transport properties

International Nuclear Information System (INIS)

Freyss, M.

2015-01-01

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

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

International Nuclear Information System (INIS)

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

2003-01-01

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

Solid State Division Progress Report for period ending March 31, 1986

International Nuclear Information System (INIS)

Green, P.H.; Watson, D.M.

1986-08-01

This report is divided into: theoretical solid-state physics, surface and near-surface properties of solids, defects in solids, transport properties of solids, neutron scattering, and synthesis and properties of novel materials

Solid State Division Progress Report for period ending March 31, 1986

Energy Technology Data Exchange (ETDEWEB)

Green, P.H.; Watson, D.M. (eds.)

1986-08-01

This report is divided into: theoretical solid-state physics, surface and near-surface properties of solids, defects in solids, transport properties of solids, neutron scattering, and synthesis and properties of novel materials. (DLC)

Solid state division progress report, period ending February 29, 1980

Energy Technology Data Exchange (ETDEWEB)

1980-09-01

Research is reported concerning theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; crystal growth and characterization; and isotope research materials.

Solid state division progress report, period ending February 29, 1980

International Nuclear Information System (INIS)

1980-09-01

Research is reported concerning theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; crystal growth and characterization; and isotope research materials

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

Czech Academy of Sciences Publication Activity Database

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

2004-01-01

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

Solid-State Division progress report for period ending March 31, 1983

International Nuclear Information System (INIS)

Green, P.H.; Watson, D.M.

1983-09-01

Progress and activities are reported on: theoretical solid-state physics (surfaces; electronic, vibrational, and magnetic properties; particle-solid interactions; laser annealing), surface and near-surface properties of solids (surface, plasma-material interactions, ion implantation and ion-beam mixing, pulsed-laser and thermal processing), defects in solids (radiation effects, fracture, impurities and defects, semiconductor physics and photovoltaic conversion), transport properties of solids (fast-ion conductors, superconductivity, mass and charge transport in materials), neutron scattering (small-angle scattering, lattice dynamics, magnetic properties, structure and instrumentation), and preparation and characterization of research materials (growth and preparative methods, nuclear waste forms, special materials)

Solid-State Division progress report for period ending March 31, 1983

Energy Technology Data Exchange (ETDEWEB)

Green, P.H.; Watson, D.M. (eds.)

1983-09-01

Progress and activities are reported on: theoretical solid-state physics (surfaces; electronic, vibrational, and magnetic properties; particle-solid interactions; laser annealing), surface and near-surface properties of solids (surface, plasma-material interactions, ion implantation and ion-beam mixing, pulsed-laser and thermal processing), defects in solids (radiation effects, fracture, impurities and defects, semiconductor physics and photovoltaic conversion), transport properties of solids (fast-ion conductors, superconductivity, mass and charge transport in materials), neutron scattering (small-angle scattering, lattice dynamics, magnetic properties, structure and instrumentation), and preparation and characterization of research materials (growth and preparative methods, nuclear waste forms, special materials). (DLC)

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.

Perovskite solid electrolytes: Structure, transport properties and fuel cell applications

DEFF Research Database (Denmark)

Bonanos, N.; Knight, K.S.; Ellis, B.

1995-01-01

Doped barium cerate perovskites, first investigated by Iwahara and co-workers, have ionic conductivities of the order of 20 mS/cm at 800 degrees C making them attractive as fuel cell electrolytes for this temperature region. They have been used to construct laboratory scale fuel cells, which...... vapour transfer in a cell in which the perovskite is exposed to wet hydrogen on both sides. The evolution of transport properties with temperature is discussed in relation to structure. Neutron diffraction studies of doped and undoped barium cerate are reported, revealing a series of phase transitions...... between ambient temperature and 1000 degrees C. The available literature on chemical stability of cerate perovskites to reduction and attack by carbon dioxide is reviewed in brief....

Ab initio theories of electric transport in solid systems with reduced dimensions

International Nuclear Information System (INIS)

Weinberger, Peter

2003-01-01

Ab initio theories of electric transport in solid systems with reduced dimensions, i.e., systems that at best are characterized by two-dimensional translational invariance, are reviewed in terms of a fully relativistic description of the Kubo-Greenwood equation. As the use of this equation requires concepts such as collinearity and non-collinearity in order to properly define resistivities or resistances corresponding to particular magnetic configurations, respective consequences of the (local) density functional theory are recalled in quite a detailed manner. Furthermore, since theoretical descriptions of solid systems with reduced dimensions require quantum mechanical methods different from bulk systems (three-dimensional periodicity), the so-called Screened Korringa-Kohn-Rostoker (SKKR-) method for layered systems is introduced together with a matching coherent potential approximation (inhomogeneous CPA). The applications shown are mainly meant to illustrate various aspects of electric transport in solid systems with reduced dimensions and comprise not only current-in-plane (CIP) experiments, but also current perpendicular to the planes of atoms geometries, consequences of tunneling, and finite nanostructures at or on metallic substrates. In order to give a more complete view of available ab initio methods also a non-relativistic approach based on the Tight Binding Linear Combination of muffin tin orbitals (TB-LMTO-) method and the so-called Kubo-Landauer equation in terms of transmission and reflection matrices is presented. A compilation of references with respect to ab-initio type approaches not explicitly discussed in here finally concludes the discussion of electric properties in solid systems with reduced dimensions

Transport properties of dilute α -Fe (X ) solid solutions (X = C, N, O)

Science.gov (United States)

Schuler, Thomas; Nastar, Maylise

2016-06-01

We extend the self-consistent mean field (SCMF) method to the calculation of the Onsager matrix of Fe-based interstitial solid solutions. Both interstitial jumps and substitutional atom-vacancy exchanges are accounted for. A general procedure is introduced to split the Onsager matrix of a dilute solid solution into intrinsic cluster Onsager matrices, and extract from them flux-coupling ratios, mobilities, and association-dissociation rates for each cluster. The formalism is applied to vacancy-interstitial solute pairs in α -Fe (V X pairs, X = C, N, O), with ab initio based thermodynamic and kinetic parameters. Convergence of the cluster mobility contribution gives a controlled estimation of the cluster definition distance, taking into account both its thermodynamic and kinetic properties. Then, the flux-coupling behavior of each V X pair is discussed, and qualitative understanding is achieved from the comparison between various contributions to the Onsager matrix. Also, the effect of low-activation energy second-nearest-neighbor interstitial solute jumps around a vacancy on these results is addressed.

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

Czech Academy of Sciences Publication Activity Database

Khan, S.A.; Azam, S.; Šipr, Ondřej

2016-01-01

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

40 CFR 266.203 - Standards applicable to the transportation of solid waste military munitions.

Science.gov (United States)

2010-07-01

... transportation of solid waste military munitions. 266.203 Section 266.203 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SOLID WASTES (CONTINUED) STANDARDS FOR THE MANAGEMENT OF SPECIFIC HAZARDOUS... applicable to the transportation of solid waste military munitions. (a) Criteria for hazardous waste...

Optimization of municipal solid waste collection and transportation routes

Energy Technology Data Exchange (ETDEWEB)

Das, Swapan, E-mail: swapan2009sajal@gmail.com; Bhattacharyya, Bidyut Kr., E-mail: bidyut53@yahoo.co.in

2015-09-15

Graphical abstract: Display Omitted - Highlights: • Profitable integrated solid waste management system. • Optimal municipal waste collection scheme between the sources and waste collection centres. • Optimal path calculation between waste collection centres and transfer stations. • Optimal waste routing between the transfer stations and processing plants. - Abstract: Optimization of municipal solid waste (MSW) collection and transportation through source separation becomes one of the major concerns in the MSW management system design, due to the fact that the existing MSW management systems suffer by the high collection and transportation cost. Generally, in a city different waste sources scatter throughout the city in heterogeneous way that increase waste collection and transportation cost in the waste management system. Therefore, a shortest waste collection and transportation strategy can effectively reduce waste collection and transportation cost. In this paper, we propose an optimal MSW collection and transportation scheme that focus on the problem of minimizing the length of each waste collection and transportation route. We first formulize the MSW collection and transportation problem into a mixed integer program. Moreover, we propose a heuristic solution for the waste collection and transportation problem that can provide an optimal way for waste collection and transportation. Extensive simulations and real testbed results show that the proposed solution can significantly improve the MSW performance. Results show that the proposed scheme is able to reduce more than 30% of the total waste collection path length.

Optimization of municipal solid waste collection and transportation routes

International Nuclear Information System (INIS)

Das, Swapan; Bhattacharyya, Bidyut Kr.

2015-01-01

Graphical abstract: Display Omitted - Highlights: • Profitable integrated solid waste management system. • Optimal municipal waste collection scheme between the sources and waste collection centres. • Optimal path calculation between waste collection centres and transfer stations. • Optimal waste routing between the transfer stations and processing plants. - Abstract: Optimization of municipal solid waste (MSW) collection and transportation through source separation becomes one of the major concerns in the MSW management system design, due to the fact that the existing MSW management systems suffer by the high collection and transportation cost. Generally, in a city different waste sources scatter throughout the city in heterogeneous way that increase waste collection and transportation cost in the waste management system. Therefore, a shortest waste collection and transportation strategy can effectively reduce waste collection and transportation cost. In this paper, we propose an optimal MSW collection and transportation scheme that focus on the problem of minimizing the length of each waste collection and transportation route. We first formulize the MSW collection and transportation problem into a mixed integer program. Moreover, we propose a heuristic solution for the waste collection and transportation problem that can provide an optimal way for waste collection and transportation. Extensive simulations and real testbed results show that the proposed solution can significantly improve the MSW performance. Results show that the proposed scheme is able to reduce more than 30% of the total waste collection path length

Health and Safety Aspects of Solid Biomass Storage, Transportation and Feeding

Energy Technology Data Exchange (ETDEWEB)

Koppejan, J. [Procede Biomass, Enschede (Netherlands); Loennermark, A.; Persson, H.; Larsson, I.; Blomqvist, P. [SP Technical Research Institute of Sweden, Boraas (Sweden); Arshadi, M.; Valencia-Reyes, E. [Swedish University of Agricultural Sciences, Uppsala (Sweden); Melin, S. [University of British Columbia, Vancouver, BC (Canada); Howes, Pat [AEA Group, London (United Kingdom); Wheeler, P. [Lend Lease, Sydney (Australia); Baxter, D. [Joint Research Institute JRC, European Commission EC, Brussels (Belgium); Nikolaisen, L. [Danish Technological Institute, Taastrup (Denmark)

2013-05-15

This publication focuses on the health and safety issues of the supply chain of solid biofuels with the objective to highlight commonly used mitigation methodologies to promote a better working environment when dealing with solid biofuels. It has been compiled as a joint effort by experts active in Tasks 32, 36, 37 and 40 of the IEA Bioenergy Agreement, with their own specific fields of expertise. Only through this cooperation, it was possible to touch upon the full range of issues in one publication that one may come across when developing projects in which solid biomass fuels are produced, traded or used. The properties of a biomass material and the intended use determine how the material should be safely transported and stored. Selfheating, off-gassing and dust explosions are significant challenges for the industry that have already resulted in significant losses of capital investments and even tragic loss of life. Likewise, exposure to biologically active material, such as moulds and spores may form a serious hazard for the health of workers involved. With the growth of the bioenergy sector, it is important not only that opportunities for bioenergy are implemented in an efficient and economic manner, but also safely.

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

Czech Academy of Sciences Publication Activity Database

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

2007-01-01

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

Properties of extended inorganic solids predicted/rationalized by ...

Indian Academy of Sciences (India)

Administrator

Due to the vastly complex nature of the problem, guidelines for the preparation of extended inorganic solids with specific electronic properties remain meagre. Here we present the use of First Principles LMTO band structure calculations for the rationalization of the properties of a number of interesting extended solids.

Atomistic Properties of Solids

CERN Document Server

Sirdeshmukh, Dinker B; Subhadra, K G

2011-01-01

The book deals with atomistic properties of solids which are determined by the crystal structure, interatomic forces and atomic displacements influenced by the effects of temperature, stress and electric fields. The book gives equal importance to experimental details and theory. There are full chapters dedicated to the tensor nature of physical properties, mechanical properties, lattice vibrations, crystal structure determination and ferroelectricity. The other crystalline states like nano-, poly-, liquid- and quasi crystals are discussed. Several new topics like nonlinear optics and the Rietveld method are presented in the book. The book lays emphasis on the role of symmetry in crystal properties. Comprehensiveness is the strength of the book; this allows users at different levels a choice of chapters according to their requirements.

Solid State Division progress report, September 30, 1981

Energy Technology Data Exchange (ETDEWEB)

1982-04-01

Progress made during the 19 months from March 1, 1980, through September 30, 1981, is reported in the following areas: theoretical solid state physics (surfaces, electronic and magnetic properties, particle-solid interactions, and laser annealing); surface and near-surface properties of solids (plasma materials interactions, ion-solid interactions, pulsed laser annealing, and semiconductor physics and photovoltaic conversion); defects in solids (radiation effects, fracture, and defects and impurities in insulating crystals); transport properties of solids (fast-ion conductors, superconductivity, and physical properties of insulating materials); neutron scattering (small-angle scattering, lattice dynamics, and magnetic properties); crystal growth and characterization (nuclear waste forms, ferroelectric mateirals, high-temperature materials, and special materials); and isotope research materials. Publications and papers are listed. (WHK)

Solid State Division progress report, September 30, 1981

International Nuclear Information System (INIS)

1982-04-01

Progress made during the 19 months from March 1, 1980, through September 30, 1981, is reported in the following areas: theoretical solid state physics (surfaces, electronic and magnetic properties, particle-solid interactions, and laser annealing); surface and near-surface properties of solids (plasma materials interactions, ion-solid interactions, pulsed laser annealing, and semiconductor physics and photovoltaic conversion); defects in solids (radiation effects, fracture, and defects and impurities in insulating crystals); transport properties of solids (fast-ion conductors, superconductivity, and physical properties of insulating materials); neutron scattering (small-angle scattering, lattice dynamics, and magnetic properties); crystal growth and characterization (nuclear waste forms, ferroelectric mateirals, high-temperature materials, and special materials); and isotope research materials. Publications and papers are listed

On the use of semiempirical models of (solid + supercritical fluid) systems to determine solid sublimation properties

International Nuclear Information System (INIS)

Tabernero, Antonio; Martin del Valle, Eva M.; Galan, Miguel A.

2011-01-01

Research highlights: → We propose a method to determine sublimation properties of solids. → Low deviations were produced calculating sublimation enthalpies and pressures. → It is a required step to determine the vaporization enthalpy of the solid. → It is possible to determine solid properties using semiempirical models solid-SCF. - Abstract: Experimental solubility data of solid-supercritical fluids have significantly increased in the last few years, and semiempirical models are emerging as one of the best choices to fit this type of data. This work establishes a methodology to calculate sublimation pressures using this type of equations. It requires the use of Bartle's equation to model equilibria data solid-supercritical fluids with the aim of determining the vaporization enthalpy of the compound. Using this method, low deviations were obtained by calculating sublimation pressures and sublimation enthalpies. The values of the sublimation pressures were subsequently used to successfully model different multiphasic equilibria, as solid-supercritical fluids and solid-solvent-supercritical fluids with the Peng-Robinson equation of state (without considering the sublimation pressure as an adjustable parameter). On the other hand, the sublimation pressures were also used to calculate solid sublimation properties and acetaminophen solvation properties in some solvents. Also, solubility data solid-supercritical fluids from 62 pharmaceuticals were fitted with different semiempirical equations (Chrastil, Kumar-Johnston and Bartle models) in order to present the values of solvation enthalpies in sc-CO 2 and vaporization enthalpies for these compounds. All of these results highlight that semiempirical models can be used for any other purpose as well as modeling (solid + supercritical fluids) equilibria.

Flow velocity analysis for avoidance of solids deposition during transport of Hanford tank waste slurries

International Nuclear Information System (INIS)

ESTEY, S.D.

1999-01-01

This engineering analysis calculates minimum slurry transport velocities intended to maintain suspensions of solid particulate in slurries. This transport velocity is also known as the slurry flow critical velocity. It is not universally recognized that a transfer line flow velocity in excess of the slurry critical velocity is a requirement to prevent solids deposition and possible line plugging. However, slurry critical velocity seems to be the most prevalent objective measure to prevent solids deposition in transfer lines. The following critical velocity correlations from the literature are investigated: Durand (1953), Spells (1955), Sinclair (1962), Zandi and Gavatos (1967), Babcock (1968), Shook (1969), and Oroskar and Turian (1980). The advantage of these critical velocity correlations is that their use is not reliant upon any measure of bulk slurry viscosity. The input parameters are limited to slurry phase densities and mass fractions, pipe diameter, particle diameter, and viscosity of the pure liquid phase of the slurry. Consequently, the critical velocity calculation does not require determination of system pressure drops. Generalized slurry properties can, therefore, be recommended if the slurry can be adequately described by these variables and if the liquid phase viscosity is known. Analysis of these correlations are presented, indicating that the Oroskar and Turian (1980) models appear to be more conservative for smaller particulate sizes, typically those less than 100 microns diameter. This analysis suggests that the current Tank Farms waste compatibility program criteria may be insufficient to prevent particulate solids settling within slurry composition ranges currently allowed by the waste compatibility program. However, in order to relate a critical velocity associated with a certain slurry composition to a system limit, a means of relating the system capabilities to the slurry composition must be found. Generally, this means expressing the bulk

Transport phenomena and drying of solids and particulate materials

CERN Document Server

Lima, AG

2014-01-01

The purpose of this book, Transport Phenomena and Drying of Solids and Particulate Materials, is to provide a collection of recent contributions in the field of heat and mass transfer, transport phenomena, drying and wetting of solids and particulate materials. The main benefit of the book is that it discusses some of the most important topics related to the heat and mass transfer in solids and particulate materials. It includes a set of new developments in the field of basic and applied research work on the physical and chemical aspects of heat and mass transfer phenomena, drying and wetting processes, namely, innovations and trends in drying science and technology, drying mechanism and theory, equipment, advanced modelling, complex simulation and experimentation. At the same time, these topics will be going to the encounter of a variety of scientific and engineering disciplines. The book is divided in several chapters that intend to be a resume of the current state of knowledge for benefit of professional c...

Thermal transport across solid-solid interfaces enhanced by pre-interface isotope-phonon scattering

Science.gov (United States)

Lee, Eungkyu; Luo, Tengfei

2018-01-01

Thermal transport across solid interfaces can play critical roles in the thermal management of electronics. In this letter, we use non-equilibrium molecular dynamics simulations to investigate the isotope effect on the thermal transport across SiC/GaN interfaces. It is found that engineered isotopes (e.g., 10% 15N or 71Ga) in the GaN layer can increase the interfacial thermal conductance compared to the isotopically pure case by as much as 23%. Different isotope doping features, such as the isotope concentration, skin depth of the isotope region, and its distance from the interface, are investigated, and all of them lead to increases in thermal conductance. Studies of spectral temperatures of phonon modes indicate that interfacial thermal transport due to low-frequency phonons (transport. This work may provide insights into interfacial thermal transport and useful guidance to practical material design.

Investigating conceptual models for physical property couplings in solid solution models of cement

International Nuclear Information System (INIS)

Benbow, Steven; Watson, Claire; Savage, David

2005-11-01

The long-term behaviour of cementitious engineered barriers is an important process to consider when modelling the migration of radionuclides from a geological repository for nuclear waste. The modelling of cement is complicated by the fact that the cement is dominated by the behaviour of calcium silicate hydrate (CSH) gel which is a complex solid exhibiting incongruent dissolution behaviour. In this report, we have demonstrated the implementation of a solid-solution CSH gel model within a geochemical transport modelling framework using the Raiden computer code to investigate cement/concrete-groundwater interactions. The modelling conducted here shows that it is possible to couple various conceptual models for the evolution of physical properties of concrete with a solid solution model for cement degradation in a fully coupled geochemical transport model to describe the interaction of cement/concrete engineered barriers with groundwater. The results show that changes to the conceptual models and flow rates can give rise to very different evolutions. Most simulations were carried out at a reduced 'experimental' scale rather than full repository scale. The work has shown the possibility to investigate also the changing physical properties of degrading cement. To further develop the model more emphasis is needed on kinetics and the detailed development of a nearly clogged pore space. Modelling of the full repository scale could be another way forward to understand the behaviour of degrading concrete. A general conclusion is that the combined effects of chemical evolution and physical degradation should be analysed in performance assessments of cementitious repositories. Moreover, the project results will be used as one basis in coming reviews of SKB's safety assessments of repositories for spent fuel and low-and intermediate level waste

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

International Nuclear Information System (INIS)

Kapusta, Benedicte

1990-01-01

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

Transport of Carbonate Ions by Novel Cellulose Fiber Supported Solid Membrane

Directory of Open Access Journals (Sweden)

A. G. Gaikwad

2012-06-01

Full Text Available Transport of carbonate ions was explored through fiber supported solid membrane. A novel fiber supported solid membrane was prepared by chemical modification of cellulose fiber with citric acid, 2′2-bipyridine and magnesium carbonate. The factors affecting the permeability of carbonate ions such as immobilization of citric acid-magnesium metal ion -2′2-bipyridine complex (0 to 2.5 mmol/g range over cellulose fiber, carbon-ate ion concentration in source phase and NaOH concentration in receiving phase were investigated. Ki-netic of carbonate, sulfate, and nitrate ions was investigated through fiber supported solid membrane. Transport of carbonate ions with/without bubbling of CO2 (0 to 10 ml/min in source phase was explored from source to receiving phase. The novel idea is to explore the adsorptive transport of CO2 from source to receiving phase through cellulose fiber containing magnesium metal ion organic framework. Copyright © 2012 BCREC UNDIP. All rights reserved.Received: 25th November 2011; Revised: 17th December 2011; Accepted: 19th December 2011[How to Cite: A.G. Gaikwad. (2012. Transport of Carbonate Ions by Novel Cellulose Fiber Supported Solid Membrane. Bulletin of Chemical Reaction Engineering & Catalysis, 7 (1: 49– 57.  doi:10.9767/bcrec.7.1.1225.49-57][How to Link / DOI: http://dx.doi.org/10.9767/bcrec.7.1.1225.49-57 ] | View in 

Investigation of transport properties of FeTe compound

Science.gov (United States)

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

2018-05-01

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

Investigating conceptual models for physical property couplings in solid solution models of cement

Energy Technology Data Exchange (ETDEWEB)

Benbow, Steven; Watson, Claire; Savage, David [Quintesssa Ltd., Henley-on-Thames (United Kingdom)

2005-11-15

The long-term behaviour of cementitious engineered barriers is an important process to consider when modelling the migration of radionuclides from a geological repository for nuclear waste. The modelling of cement is complicated by the fact that the cement is dominated by the behaviour of calcium silicate hydrate (CSH) gel which is a complex solid exhibiting incongruent dissolution behaviour. In this report, we have demonstrated the implementation of a solid-solution CSH gel model within a geochemical transport modelling framework using the Raiden computer code to investigate cement/concrete-groundwater interactions. The modelling conducted here shows that it is possible to couple various conceptual models for the evolution of physical properties of concrete with a solid solution model for cement degradation in a fully coupled geochemical transport model to describe the interaction of cement/concrete engineered barriers with groundwater. The results show that changes to the conceptual models and flow rates can give rise to very different evolutions. Most simulations were carried out at a reduced 'experimental' scale rather than full repository scale. The work has shown the possibility to investigate also the changing physical properties of degrading cement. To further develop the model more emphasis is needed on kinetics and the detailed development of a nearly clogged pore space. Modelling of the full repository scale could be another way forward to understand the behaviour of degrading concrete. A general conclusion is that the combined effects of chemical evolution and physical degradation should be analysed in performance assessments of cementitious repositories. Moreover, the project results will be used as one basis in coming reviews of SKB's safety assessments of repositories for spent fuel and low-and intermediate level waste.

Fokker-Planck transport in solid state accelerator concepts

International Nuclear Information System (INIS)

Newberger, B.; Tajima, T.

1989-01-01

Particle transport in a crystalline solid under channeling conditions is considered by means of a Fokker-Planck description. The model includes electron multiple scattering, radiation damping and an accelerating electric field. Analytic solutions have been obtained using a harmonic potential model to describe the channeling forces. These solutions will be described

A service network design model for multimodal municipal solid waste transport

NARCIS (Netherlands)

Inghels, D.A.M.; Dullaert, W.E.H.; Vigo, D.

2016-01-01

A modal shift from road transport towards inland water or rail transport could reduce the total Green House Gas emissions and societal impact associated with Municipal Solid Waste management. However, this shift will take place only if demonstrated to be at least cost-neutral for the decision

Transport properties of fission product vapors

International Nuclear Information System (INIS)

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

1983-07-01

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

High-temperature electrical properties of the Bi2.1Sr1.9(Ca1-xYx)Cu2Oy solid solution

International Nuclear Information System (INIS)

Hong, Byungsun; Mason, T.O.

1993-01-01

By a combination of conventional physical property measurements and high temperature electrical property studies, the solid solution limit, transport parameters, and potential defect regimes of the Bi 2.1 Sr 1.9 (Ca 1 - x Y x )Cu 2 O y solid solution were established. A continuous solid solution extends to x = 0.7 or 0.8. The electrical properties indicate that the product of the hole density-of-states and mobility for semiconducting compositions is approximately an order of magnitude smaller than for the other p-type superconducting cuprates. A pronounced drop in hole concentration accompanies the tetragonal-to-orthorhombic transition at x = 0.5, where after superconductivity disappears. The electrical properties also indicate that a composition x ≥ 0.7 is the appropriate ''reference'' compound for the solid solution series. Upon doping this yttrium-rich insulating composition with calcium, holes are introduced. With increased calcium content (decreased yttrium content) the system exhibits several defect regimes reminiscent of the behavior in the La 2 - x AE x CuO 4 (AE = Sr or Ba) system. Oxygen defects (interstitial and vacancies) are believed to play an important role in the defect structure

Revisiting low-fidelity two-fluid models for gas–solids transport

Energy Technology Data Exchange (ETDEWEB)

Adeleke, Najeem, E-mail: najm@psu.edu; Adewumi, Michael, E-mail: m2a@psu.edu; Ityokumbul, Thaddeus

2016-08-15

Two-phase gas–solids transport models are widely utilized for process design and automation in a broad range of industrial applications. Some of these applications include proppant transport in gaseous fracking fluids, air/gas drilling hydraulics, coal-gasification reactors and food processing units. Systems automation and real time process optimization stand to benefit a great deal from availability of efficient and accurate theoretical models for operations data processing. However, modeling two-phase pneumatic transport systems accurately requires a comprehensive understanding of gas–solids flow behavior. In this study we discuss the prevailing flow conditions and present a low-fidelity two-fluid model equation for particulate transport. The model equations are formulated in a manner that ensures the physical flux term remains conservative despite the inclusion of solids normal stress through the empirical formula for modulus of elasticity. A new set of Roe–Pike averages are presented for the resulting strictly hyperbolic flux term in the system of equations, which was used to develop a Roe-type approximate Riemann solver. The resulting scheme is stable regardless of the choice of flux-limiter. The model is evaluated by the prediction of experimental results from both pneumatic riser and air-drilling hydraulics systems. We demonstrate the effect and impact of numerical formulation and choice of numerical scheme on model predictions. We illustrate the capability of a low-fidelity one-dimensional two-fluid model in predicting relevant flow parameters in two-phase particulate systems accurately even under flow regimes involving counter-current flow.

Revisiting low-fidelity two-fluid models for gas–solids transport

International Nuclear Information System (INIS)

Adeleke, Najeem; Adewumi, Michael; Ityokumbul, Thaddeus

2016-01-01

Two-phase gas–solids transport models are widely utilized for process design and automation in a broad range of industrial applications. Some of these applications include proppant transport in gaseous fracking fluids, air/gas drilling hydraulics, coal-gasification reactors and food processing units. Systems automation and real time process optimization stand to benefit a great deal from availability of efficient and accurate theoretical models for operations data processing. However, modeling two-phase pneumatic transport systems accurately requires a comprehensive understanding of gas–solids flow behavior. In this study we discuss the prevailing flow conditions and present a low-fidelity two-fluid model equation for particulate transport. The model equations are formulated in a manner that ensures the physical flux term remains conservative despite the inclusion of solids normal stress through the empirical formula for modulus of elasticity. A new set of Roe–Pike averages are presented for the resulting strictly hyperbolic flux term in the system of equations, which was used to develop a Roe-type approximate Riemann solver. The resulting scheme is stable regardless of the choice of flux-limiter. The model is evaluated by the prediction of experimental results from both pneumatic riser and air-drilling hydraulics systems. We demonstrate the effect and impact of numerical formulation and choice of numerical scheme on model predictions. We illustrate the capability of a low-fidelity one-dimensional two-fluid model in predicting relevant flow parameters in two-phase particulate systems accurately even under flow regimes involving counter-current flow.

Revisiting low-fidelity two-fluid models for gas-solids transport

Science.gov (United States)

Adeleke, Najeem; Adewumi, Michael; Ityokumbul, Thaddeus

2016-08-01

Two-phase gas-solids transport models are widely utilized for process design and automation in a broad range of industrial applications. Some of these applications include proppant transport in gaseous fracking fluids, air/gas drilling hydraulics, coal-gasification reactors and food processing units. Systems automation and real time process optimization stand to benefit a great deal from availability of efficient and accurate theoretical models for operations data processing. However, modeling two-phase pneumatic transport systems accurately requires a comprehensive understanding of gas-solids flow behavior. In this study we discuss the prevailing flow conditions and present a low-fidelity two-fluid model equation for particulate transport. The model equations are formulated in a manner that ensures the physical flux term remains conservative despite the inclusion of solids normal stress through the empirical formula for modulus of elasticity. A new set of Roe-Pike averages are presented for the resulting strictly hyperbolic flux term in the system of equations, which was used to develop a Roe-type approximate Riemann solver. The resulting scheme is stable regardless of the choice of flux-limiter. The model is evaluated by the prediction of experimental results from both pneumatic riser and air-drilling hydraulics systems. We demonstrate the effect and impact of numerical formulation and choice of numerical scheme on model predictions. We illustrate the capability of a low-fidelity one-dimensional two-fluid model in predicting relevant flow parameters in two-phase particulate systems accurately even under flow regimes involving counter-current flow.

Solid State Division progress report for period ending September 30, 1984

International Nuclear Information System (INIS)

Green, P.H.; Watson, D.M.

1985-03-01

During the reporting period, relatively minor changes have occurred in the research areas of interest to the Division. Nearly all the research of the Division can be classified broadly as mission-oriented basic research. Topics covered include: theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; and preparation and characterization of research materials

Solid State Division progress report for period ending September 30, 1984

Energy Technology Data Exchange (ETDEWEB)

Green, P.H.; Watson, D.M. (eds.)

1985-03-01

During the reporting period, relatively minor changes have occurred in the research areas of interest to the Division. Nearly all the research of the Division can be classified broadly as mission-oriented basic research. Topics covered include: theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; and preparation and characterization of research materials. (GHT)

Solid transport in mountain rivers: monitoring techniques and long term assessment as flood prevention tools

Science.gov (United States)

Longoni, Laura; Brambilla, Davide; Ivanov, Vladislav; Messa, Giacomo; Veronelli, Andrea; Radice, Alessio; Papini, Monica

2017-04-01

Floods are calamitous phenomena with an ever-increasing frequency around the globe, that often result in socio-economic damage and casualties. The role of the solid fraction in the river dynamic has been widely debated in the last decade and its importance is recognized as critical and not negligible in flood simulations as it has been evidenced that the severity of an event is often the result of the coupling of a flood wave with elevated solid transport rates. Nevertheless, assessing the quantity of sediment mobilized in a particular event is not feasible without a long term analysis of the river's dynamics and its morphological evolution since it is defined by past events. This work is focused on the techniques to improve knowledge about sediment production and transport through hydrological networks as a necessary component of a wise flood prevention planning. In particular, a multidisciplinary approach that combines hydraulic and geological knowledge is required in order to understand the evolution of the river sediment and how it will influence the following critical event. The methods are presented through a case study in Italy where a series of different approaches have been integrated to gain a comprehensive understanding of the problem: the sediment movement has been studied by a Eulerian as well as a Lagrangian approaches while hydraulic properties of the stream have been measured. The research started with an attempt to monitor sediment movements: in June 2016 300 sample pebbles, equipped with RFID (Radio Frequency IDentification) transponders, have been deployed in the river and tracked after every major rainfall event. The obtained data-set has been combined with a morphological analysis and a river flow discharge computed through PIV (Particle Image Velocimetry) method in order to identify the relation between a given rainfall event and sediment transport. Moreover, critical sediment size has been estimated from field data using three approaches: two

Optimization of municipal solid waste collection and transportation routes.

Science.gov (United States)

Das, Swapan; Bhattacharyya, Bidyut Kr

2015-09-01

Optimization of municipal solid waste (MSW) collection and transportation through source separation becomes one of the major concerns in the MSW management system design, due to the fact that the existing MSW management systems suffer by the high collection and transportation cost. Generally, in a city different waste sources scatter throughout the city in heterogeneous way that increase waste collection and transportation cost in the waste management system. Therefore, a shortest waste collection and transportation strategy can effectively reduce waste collection and transportation cost. In this paper, we propose an optimal MSW collection and transportation scheme that focus on the problem of minimizing the length of each waste collection and transportation route. We first formulize the MSW collection and transportation problem into a mixed integer program. Moreover, we propose a heuristic solution for the waste collection and transportation problem that can provide an optimal way for waste collection and transportation. Extensive simulations and real testbed results show that the proposed solution can significantly improve the MSW performance. Results show that the proposed scheme is able to reduce more than 30% of the total waste collection path length. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

Science.gov (United States)

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

2018-04-01

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

Effective elastic properties of damaged isotropic solids

International Nuclear Information System (INIS)

Lee, U Sik

1998-01-01

In continuum damage mechanics, damaged solids have been represented by the effective elastic stiffness into which local damage is smoothly smeared. Similarly, damaged solids may be represented in terms of effective elastic compliances. By virtue of the effective elastic compliance representation, it may become easier to derive the effective engineering constants of damaged solids from the effective elastic compliances, all in closed form. Thus, in this paper, by using a continuum modeling approach based on both the principle of strain energy equivalence and the equivalent elliptical micro-crack representation of local damage, the effective elastic compliance and effective engineering constants are derived in terms of the undamaged (virgin) elastic properties and a scalar damage variable for both damaged two-and three-dimensional isotropic solids

The role of surface ligands in determining the electronic properties of quantum dot solids and their impact on photovoltaic figure of merits.

Science.gov (United States)

Goswami, Prasenjit N; Mandal, Debranjan; Rath, Arup K

2018-01-18

Surface chemistry plays a crucial role in determining the electronic properties of quantum dot solids and may well be the key to mitigate loss processes involved in quantum dot solar cells. Surface ligands help to maintain the shape and size of the individual dots in solid films, to preserve the clean energy band gap of the individual particles and to control charge carrier conduction across solid films, in turn regulating their performance in photovoltaic applications. In this report, we show that the changes in size, shape and functional groups of small chain organic ligands enable us to modulate mobility, dielectric constant and carrier doping density of lead sulfide quantum dot solids. Furthermore, we correlate these results with performance, stability and recombination processes in the respective photovoltaic devices. Our results highlight the critical role of surface chemistry in the electronic properties of quantum dots. The role of the size, functionality and the surface coverage of the ligands in determining charge transport properties and the stability of quantum dot solids have been discussed. Our findings, when applied in designing new ligands with higher mobility and improved passivation of quantum dot solids, can have important implications for the development of high-performance quantum dot solar cells.

EDITORIAL: Charge transport in non-metallic solids

Science.gov (United States)

Youngs, Ian J.; Almond, Darryl P.

2009-03-01

Workers engaged in a wide range of investigations of charge transport in non-metallic solids came together at a meeting of the Institute of Physics Dielectric Group, held in London on 2 April 2008. Topics included both ionic and electronic conduction, investigations of the fundamental mechanisms of charge transport, percolation, modelling the conduction process in both natural and man-made composite electrical and electromagnetic materials, the design and development of solids with specified conduction properties and the ac characteristics of non-metallic solids. In the first session, the long-standing problem of the anomalous power law increase in ac conductivity with frequency was addressed by a set of four presentations. Jeppe Dyre, an invited speaker from Roskilde University, Denmark, introduced the problem and stressed the universality of the frequency dependence observed in the ac conductivities of disordered non-metallic materials. He showed that it could be obtained from a simple random barrier model, independent of the barrier distribution. Darryl Almond, University of Bath, showed that the electrical responses of large networks of randomly positioned resistors and capacitors, simulating the microstructures of disordered two-phase (conductor insulator) materials, exhibit the same frequency dependence. He demonstrated their robustness to component value and distribution and suggested that it was an emergent property of these networks and of two-phase materials. Klaus Funke, an invited speaker from the University of Munster, Germany, presented a detailed model of ion motion in disordered ionic materials. He stressed the need to account for the concerted many-particle processes that occur whilst ions hop from site to site in response to an applied electric field. The conductivity spectra obtained from this work reproduce the same frequency dispersion and have the additional feature of conductivity saturation at high frequencies. Tony West, University of

Recent advances in small molecular, non-polymeric organic hole transporting materials for solid-state DSSC

Directory of Open Access Journals (Sweden)

Bui Thanh-Tuan

2013-10-01

Full Text Available Issue from thin-film technologies, dye-sensitized solar cells have become one of the most promising technologies in the field of renewable energies. Their success is not only due to their low weight, the possibility of making large flexible surfaces, but also to their photovoltaic efficiency which are found to be more and more significant (>12% with a liquid electrolyte, >7% with a solid organic hole conductor. This short review highlights recent advances in the characteristics and use of low-molecular-weight glass-forming organic materials as hole transporters in all solid-state dye-sensitized solar cells. These materials must feature specific physical and chemical properties that will ensure both the operation of a photovoltaic cell and the easy implementation. This review is an english extended version based on our recent article published in Matériaux & Techniques 101, 102 (2013.

Reconstruction of the solid transport of the river Tiber by a stochastic model

International Nuclear Information System (INIS)

Grimaldi, S.; Magnaldi, S.; Margaritora, G.

1999-01-01

The chronological series of cumulative suspended solids transport observed at Ripetta station in river Tiber (Rome, Italy) is reconstructed on the base of the correlation with the chronological series of liquid discharge, using a TFN (Transfer Function Noise) stochastic model with SARIMA noise. The results are compared with those similar reconstructions based on linear correlation that can be found in literature. Finally, the importance of floods intensity and frequency decrease observed after 1950 at Ripetta station is shown as not negligible aggravation for the decrease solid transport in river Tiber [it

Electronic transport properties of nanostructured MnSi-films

Science.gov (United States)

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

2018-05-01

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

Handling of bulk solids theory and practice

CERN Document Server

Shamlou, P A

1990-01-01

Handling of Bulk Solids provides a comprehensive discussion of the field of solids flow and handling in the process industries. Presentation of the subject follows classical lines of separate discussions for each topic, so each chapter is self-contained and can be read on its own. Topics discussed include bulk solids flow and handling properties; pressure profiles in bulk solids storage vessels; the design of storage silos for reliable discharge of bulk materials; gravity flow of particulate materials from storage vessels; pneumatic transportation of bulk solids; and the hazards of solid-mater

TRANSPORT PROPERTIES FOR REFRIGERANT MIXTURES

Directory of Open Access Journals (Sweden)

V. Geller

2014-06-01

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

Transport Properties in Nuclear Pasta

Science.gov (United States)

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

2016-09-01

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

Magnetism and transport properties of layered rare-earth cobaltates Ln.sub.0.3./sub.CoO.sub.2./sub

Czech Academy of Sciences Publication Activity Database

Knížek, Karel; Novák, Pavel; Jirák, Zdeněk; Hejtmánek, Jiří; Maryško, Miroslav; Buršík, Josef

2015-01-01

Roč. 117, č. 17 (2015), "17B706-1"-"17B706-4" ISSN 0021-8979 R&D Projects: GA ČR GA13-03708S Institutional support: RVO:68378271 ; RVO:61388980 Keywords : crystal field * rare earth cobaltates * magnetism and transport properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.101, year: 2015

Fundamentals of the Physics of Solids Volume 2: Electronic Properties

CERN Document Server

Sólyom, Jenő

2009-01-01

This book is the second of a single-authored, three-volume series that aims to deliver a comprehensive and self-contained account of the vast field of solid-state physics. It goes far beyond most classic texts in the presentation of the properties of solids and experimentally observed phenomena, along with the basic concepts and theoretical methods used to understand them and the essential features of various experimental techniques. The first volume deals with the atomic and magnetic structure and dynamics of solids, the second with those electronic properties that can be understood in the one-particle approximation, and the third with the effects due to interactions and correlations between electrons. This volume is devoted to the electronic properties of metals and semiconductors in the independent-electron approximation. After a brief discussion of the free-electron models by Drude and Sommerfeld, the methods for calculating and measuring the band structure of Bloch electrons moving in the periodic potent...

Transport properties of molecular junctions

CERN Document Server

Zimbovskaya, Natalya A

2013-01-01

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

Elastic properties of liquid and solid argon in nanopores

International Nuclear Information System (INIS)

Schappert, Klaus; Pelster, Rolf

2013-01-01

We have measured sorption isotherms and determined the intrinsic longitudinal elastic modulus β Ar,ads of nanoconfined material via ultrasonic measurements combined with a special effective medium analysis. In the liquid regime the adsorbate only contributes to the measured effective properties when the pores are completely filled and the modulus is bulklike. At partial fillings its contribution is cancelled out by the high compressibility of the vapour phase. In contrast, at lower temperatures frozen argon as well as underlying liquid surface layers cause a linear increase of the effective longitudinal modulus upon filling. During sorption the contribution of the liquid surface layers near the pore wall β Ar,surf increases with the thickness of the solid layers reaching the bulk value β Ar,liquid only in the limit of complete pore filling. We interpret this effect as due to the gradual stiffening of the solid argon membrane. The measurements and their analysis show that longitudinal ultrasonic waves are well suited to the study of the elastic properties and liquid–solid phase transitions in porous systems. This method should also help to detect the influence of nanoconfinement on elastic properties in further research. (paper)

Thermophysical properties of solid and liquid pure and alloyed Pu: A review

Energy Technology Data Exchange (ETDEWEB)

Boivineau, M., E-mail: michel.boivineau@cea.f [CEA, Centre de Valduc, Departement de Recherches sur les Materiaux Nucleaires, F-21120 Is-sur-Tille (France)

2009-08-01

The thermophysical properties of both solid and liquid pure and alloyed plutonium have been investigated up to 4000 K by use of a resistive pulse heating technique, the so-called isobaric expansion experiment (IEX). Electrical resistivity, specific volume (density), latent heats of transformations, heat of fusion have been measured and extended in the whole liquid region. Additional static measurements have been also performed in order to determine the heat transport properties such as heat capacity, thermal diffusivity and thermal conductivity of plutonium alloys. After a first part devoted to additional results on pure Pu under rapid heating, this paper mostly deals with studies on different delta-stabilized Pu alloys in the high temperature range, particularly in the liquid state which is the principal originality of this work. In addition to the thermophysical data mentioned above, an attention is also paid onto sound velocity measurements on these alloys in the solid and liquid states. Hence, an anomalous behavior such as elastic softening is confirmed in the delta phase as already reported previously. Moreover, sound velocity and equation of state parameters (adiabatic and thermal bulk moduli, Grueneisen parameter, and specific heats ratio) have been investigated on liquid alloyed Pu. Such results confirm previous works on liquid pure Pu by presenting an atypical dual behavior of sound velocity, and are discussed in terms of delocalization process of the 5f electrons of both liquid pure and alloyed Pu.

Thermophysical properties of solid and liquid beryllium

International Nuclear Information System (INIS)

Boivineau, M.; Arles, L.; Vermeulen, J.M.; Thevenin, Th.

1993-01-01

A submillisecond resistive heating technique under high pressure (0.12 GPa) has been used to measure selected thermophysical properties of both solid and liquid beryllium. Data have been obtained between room temperature and 2900 K. Results on enthalpy, volume expansion, electrical resistivity, and sound velocity measurements are presented

Electrical properties of fast ion conducting silver based borate glasses: Application in solid battery

International Nuclear Information System (INIS)

Masoud, Emad M.; Khairy, M.; Mousa, M.A.

2013-01-01

Graphical abstract: -- Highlights: •AgI dopant created more opened borate network structure. •Dielectric constant and loss values increased with AgI concentration. •AgI dopant enhanced both ion migration and orientation. •0.6 AgI–0.27 Ag 2 O–0.13 B 2 O 3 showed the highest DC-conductivity at room temperature. •It showed also good life time as a solid electrolyte in solid battery at room temperature. -- Abstract: The electrical properties of the ternary ionic conducting glass system xAgI–(1 – x)[0.67Ag 2 O–0.33B 2 O 3 ], where x = 0.4 , 0.5, 0.6, 0.7 and 0.8, were studied for emphasizing the influence of silver iodide concentration on the transport properties in the based borate glasses. The glasses were prepared by melt quenching technique and characterized using X-ray diffraction (XRD), FT-IR spectra and differential thermal analysis (DTA). XRD confirmed a glassy nature for all investigated compositions. Electrical conductivity (σ), dielectric constant (ε′), dielectric loss (ε ″ ) and impedance spectra (Z′–Z′′) were studied for all samples at a frequency range of 0–10 6 Hz and over a temperature range of 303–413 K. Changes of conductivity and dielectric properties with composition, temperature and frequency were analyzed and discussed. A silver iodine battery using glassy electrolyte sample with the highest ionic conductivity (x = 0.6) was studied

Modeling of ionic transport in solid polymer electrolytes

International Nuclear Information System (INIS)

Cheang, P L; Teo, L L; Lim, T L

2010-01-01

A Monte Carlo model describing the ionic trans port in solid polyme relectrolyte is developed. Single cation simulation is carried out using hopping rate to study the transport mechanism of a thermally activated ion in solid polymer electrolyte. In our model, the ion is able to hop along a polymer chain and to jump between different chains, surmounting energy barriers that consist of polymer's activation energy and the externally applied electric field. The model is able to trace the motion of ion across polymer electrolyte. The mean hopping distance is calculated based on the available open bond in the next nearest side. Random numbers are used to determine the hopping distances, free flight times, final energy and direction of the cation after successful hop. Drift velocity and energy of cation are simulated in our work. The model is expected to be able to simulate the lithium-polymer battery in future.

Optimal routing for efficient municipal solid waste transportation by using ArcGIS application in Chennai, India.

Science.gov (United States)

Sanjeevi, V; Shahabudeen, P

2016-01-01

Worldwide, about US$410 billion is spent every year to manage four billion tonnes of municipal solid wastes (MSW). Transport cost alone constitutes more than 50% of the total expenditure on solid waste management (SWM) in major cities of the developed world and the collection and transport cost is about 85% in the developing world. There is a need to improve the ability of the city administrators to manage the municipal solid wastes with least cost. Since 2000, new technologies such as geographical information system (GIS) and related optimization software have been used to optimize the haul route distances. The city limits of Chennai were extended from 175 to 426 km(2) in 2011, leading to sub-optimum levels in solid waste transportation of 4840 tonnes per day. After developing a spatial database for the whole of Chennai with 200 wards, the route optimization procedures have been run for the transport of solid wastes from 13 wards (generating nodes) to one transfer station (intermediary before landfill), using ArcGIS. The optimization process reduced the distances travelled by 9.93%. The annual total cost incurred for this segment alone is Indian Rupees (INR) 226.1 million. Savings in terms of time taken for both the current and shortest paths have also been computed, considering traffic conditions. The overall savings are thus very meaningful and call for optimization of the haul routes for the entire Chennai. © The Author(s) 2015.

Transport properties and spin correlations of La1.85-xSr0.15+xCu1-xFexO4

DEFF Research Database (Denmark)

Xu, G.J.; Pu, Q.R.; Liu, B.

2004-01-01

A series of double-doped La1.85-xSr0.15+xCu1-xFexO4 (0less than or equal toxless than or equal to1) ceramic samples were prepared by the solid-state reaction method. The structure, transport properties, and spin correlations were studied by means of x-ray diffraction, resistivity, thermoelectric...

Thermal properties of paramagnetic solid helium 3

International Nuclear Information System (INIS)

Goldstein, L.

1983-01-01

It was shown in recent work that over a limited molar volume range and at asymptotically high temperatures the thermal modulations of the pressure along isochores of paramagnetic solid 3 He could be accounted for through the formalism of the Heisenberg model of an antiferromagnetically interacting localized spin- 1/2 system. The internal consistency of this formalism requires the characteristic exchange-interaction parameter of the model derived from pressure modulation data to be identical with that appearing in the other thermal properties of this quantum solid. In a restricted temperature region where the spin excitations are the dominant thermal excitations of the solid, heat capacity data yield exchange-interaction parameters in fair agreement with those derived from pressures along isochores of larger molar volume. At higher temperatures, within well-defined limitations, thermal excitations involve both spin and phononexcitations. Here, because of the opposite temperature variations of the spin and phonon heat capacity components, the ensuing heat capacity minimum determines exactly the exchange-energy parameter and the relevant limiting Debye temperature as a function of the measured temperature location and value of the heat capacity extremum along the experimentally explored isochore. The exchange-energy parameters so derived display larger deviations from their predicted pressure-based values than those resulting from the lower temperature but still asymptotic spin-only heat capacities. At the present time, ambiguities in the experimental determinations of the characteristic Weiss temperatures of the asymptotic paramagnetic susceptibilities prevent one from deriving exchange-energy parameters with them. The present work leads to the prediction, within the limitations of the model formalism, of thermal properties of magnetized solid 3 He

Quantifying the risks of solid aerosol geoengineering: the role of fundamental material properties

Science.gov (United States)

Dykema, J. A.; Keutsch, F. N.; Keith, D.

2017-12-01

Solid aerosols have been considered as an alternative to sulfate aerosols for solar geoengineering due to their optical and chemical properties, which lead to different and possibly more attractive risk profiles. Solid aerosols can achieve higher solar scattering efficiency due to their higher refractive index, and in some cases may also be less effective absorbers of thermal infrared radiation. The optical properties of solid aerosols are however sensitive functions of the detailed physical properties of solid materials in question. The relevant details include the exact crystalline structure of the aerosols, the physical size of the particles, and interactions with background stratospheric molecular and particulate constituents. In this work, we examine the impact of these detailed physical properties on the radiative properties of calcite (CaCO3) solid aerosols. We examine how crystal morphology, size, chemical reactions, and interaction with background stratospheric aerosol may alter the scattering and absorption properties of calcite aerosols for solar and thermal infrared radiation. For example, in small particles, crystal lattice vibrations associated with the particle surface may lead to substantially different infrared absorption properties than bulk materials. We examine the wavelength dependence of absorption by the particles, which may lead to altered patterns of stratospheric radiative heating and equilibrium temperatures. Such temperature changes can lead to dynamical changes, with consequences for both stratospheric composition and tropospheric climate. We identify important uncertainties in the current state of understanding, investigate risks associated with these uncertainties, and survey potential approaches to quantitatively improving our knowledge of the relevant material properties.

CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

Science.gov (United States)

Mcbride, B.

1994-01-01

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

Transport parameters of thin, supported cathode layers in solid oxide fuel cells (SOFCs); Transportparameter duenner, getraegerter Kathodenschichten der oxidkeramischen Brennstoffzelle

Energy Technology Data Exchange (ETDEWEB)

Wedershoven, Christian

2010-12-22

The aim of this work was to determine the transport properties of thin cathode layers, which are part of the composite layer of a fabricated anode-supported solid oxide fuel cell (SOFC). The transport properties of the anode and cathode have a significant influence on the electrochemical performance of a fuel cell stack and therefore represent an important parameter when designing fuel cell stacks. In order to determine the transport parameters of the cathode layers in a fabricated SOFC, it is necessary to permeate the thin cathode layer deposited on the gas-tight electrolyte with a defined gas transport. These thin cathode layers cannot be fabricated as mechanically stable single layers and cannot therefore be investigated in the diffusion and permeation experiments usually used to determine transport parameters. The setup of these experiments - particularly the sample holder - was therefore altered in this work. The result of this altered setup was a three-dimensional flow configuration. Compared to the conventional setup, it was no longer possible to describe the gas transport in the experiments with an analytical one-dimensional solution. A numerical solution process had to be used to evaluate the measurements. The new setup permitted a sufficiently symmetrical gas distribution and thus allowed the description of the transport to be reduced to a two-dimensional description, which significantly reduced the computational effort required to evaluate the measurements. For pressure-induced transport, a parametrized coherent expression of transport could be derived. This expression is equivalent to the analytical description of the transport in conventional measurement setups, with the exception of parameters that describe the geometry of the gas diffusion. In this case, a numerical process is not necessary for the evaluation. Using the transport parameters of mechanically stable anode substrates, which can be measured both in the old and the new setups, the old and

Challenges and perspectives of garnet solid electrolytes for all solid-state lithium batteries

Science.gov (United States)

Liu, Qi; Geng, Zhen; Han, Cuiping; Fu, Yongzhu; Li, Song; He, Yan-bing; Kang, Feiyu; Li, Baohua

2018-06-01

Garnet Li7La3Zr2O12 (LLZO) solid electrolytes recently have attracted tremendous interest as they have the potential to enable all solid-state lithium batteries (ASSLBs) owing to high ionic conductivity (10-3 to 10-4 S cm-1), negligible electronic transport, wide potential window (up to 9 V), and good chemical stability. Here we present the key issues and challenges of LLZO in the aspects of ion conduction property, interfacial compatibility, and stability in air. First, different preparation methods of LLZO are reviewed. Then, recent progress about the improvement of ionic conductivity and interfacial property between LLZO and electrodes are presented. Finally, we list some emerging LLZO-based solid-state batteries and provide perspectives for further research. The aim of this review is to summarize the up-to-date developments of LLZO and lead the direction for future development which could enable LLZO-based ASSLBs.

Effective Mechanical Property Estimation of Composite Solid Propellants Based on VCFEM

Directory of Open Access Journals (Sweden)

Liu-Lei Shen

2018-01-01

Full Text Available A solid rocket motor is one of the critical components of solid missiles, and its life and reliability mostly depend on the mechanical behavior of a composite solid propellant (CSP. Effective mechanical properties are critical material constants to analyze the structural integrity of propellant grain. They are estimated by a numerical method that combines the Voronoi cell finite element method (VCFEM and the homogenization method in the present paper. The correctness of this combined method has been validated by comparing with a standard finite element method and conventional theoretical models. The effective modulus and the effective Poisson’s ratio of a CSP varying with volume fraction and component material properties are estimated. The result indicates that the variations of the volume fraction of inclusions and the properties of the matrix have obvious influences on the effective mechanical properties of a CSP. The microscopic numerical analysis method proposed in this paper can also be used to provide references for the design and the analysis of other large volume fraction composite materials.

Nonlinear transport properties of non-ideal systems

International Nuclear Information System (INIS)

Pavlov, G A

2009-01-01

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

Oxygen reduction kinetics and transport properties of (Ba,Sr)(Co,Fe)O3-δ solid oxide fuel cell cathode materials

International Nuclear Information System (INIS)

Wang, Lei; Merkle, Rotraut; Baumann, Frank S.; Maier, Joachim; Fleig, Juergen

2007-01-01

Full text: The oxygen reduction at the surface of cathode materials is crucial for the performance of solid oxide fuel cells (SOFC), but a detailed understanding of the mechanism is not available yet. (Ba x Sr 1-x )(Co 1-y Fe y )O 3-δ shows strongly improved oxygen reduction rates compared to previously applied perovskite cathode materials. In this work, surface rate constants as well as bulk transport properties are studied. (Ba x Sr 1-x )(Co 1-y Fe y )O 3-δ with 0≤x≤0.5, 0.2≤y≤1 was synthesized by the Pechini method. Oxygen stoichoimetry was obtained from thermo-gravimetric analysis, confirming that Ba 0.5 Sr 0.5 Co 0.8 Fe 0.2 O 3-δ has an exceptionally low oxygen content which is generally smaller than 2.5. Dense thin films were grown by pulsed laser deposition (PLD) and patterned into circular microelectrodes by photolithography. The surface resistance R s , which dominate the overall electrode resistance, were measured by impedance spectroscopy on individual microelectrodes at different T, pO 2 and applied electrical bias. PLD technique greatly helps to study the oxygen reduction kinetics since only measurements on dense thin films allow to record absolute R s values without interference from morphology effects. These R s values were found to be much lower than those for (La,Sr)(Co,Fe)O 3-δ . The variation of the surface reaction rates with A-site and B-site composition was studied and correlations with bulk materials properties such as oxygen nonstoichiometry, ionic mobility or oxidation enthalpy were examined. Plausible reaction mechanisms as well as possible reasons for the high absolute surface reaction rates will be discussed

Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

Science.gov (United States)

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

1973-01-01

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

Transport properties site descriptive model. Guidelines for evaluation and modelling

International Nuclear Information System (INIS)

Berglund, Sten; Selroos, Jan-Olof

2004-04-01

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

Solid oxide fuel cells for transportation: A clean, efficient alternative for propulsion

International Nuclear Information System (INIS)

Kumar, R.; Krumpelt, M.; Myles, K.M.

1993-01-01

Fuel cells show great promise for providing clean and efficient transportation power. Of the fuel cell propulsion systems under investigation, the solid oxide fuel cell (SOFC) is particularly attractive for heavy duty transportation applications that have a relatively long duty cycle, such as locomotives, trucks, and barges. Advantages of the SOFC include a simple, compact system configuration; inherent fuel flexibility for hydrocarbon and alternative fuels; and minimal water management. The specific advantages of the SOFC for powering a railroad locomotive are examined. Feasibility, practicality, and safety concerns regarding SOFCs in transportation applications are discussed, as am the major R ampersand D issues

Russian Containers for Transportation of Solid Radioactive Waste

International Nuclear Information System (INIS)

Petrushenko, V. G.; Baal, E. P.; Tsvetkov, D. Y.; Korb, V. R.; Nikitin, V. S.; Mikheev, A. A.; Griffith, A.; Schwab, P.; Nazarian, A.

2002-01-01

The Russian Shipyard ''Zvyozdochka'' has designed a new container for transportation and storage of solid radioactive wastes. The PST1A-6 container is cylindrical shaped and it can hold seven standard 200-liter (55-gallon) drums. The steel wall thickness is 6 mm, which is much greater than standard U.S. containers. These containers are fully certified to the Russian GOST requirements, which are basically identical to U.S. and IAEA standards for Type A containers. They can be transported by truck, rail, barge, ship, or aircraft and they can be stacked in 6 layers in storage facilities. The first user of the PST1A-6 containers is the Northern Fleet of the Russian Navy, under a program sponsored jointly by the U.S. DoD and DOE. This paper will describe the container design and show how the first 400 containers were fabricated and certified

Effect of ambient on electrical transport properties of ultra-thin Au nanowires

Science.gov (United States)

Amin, Kazi Rafsanjani; Kundu, Subhajit; Biswas, Sangram; Roy, Ahin; Singh, Abhishek Kumar; Ravishankar, N.; Bid, Aveek

2016-12-01

In this letter we present systematic studies of the dynamics of surface adsorption of various chemicals on ultra-thin single crystalline gold nanowires (AuNW) through sensitive resistance fluctuation spectroscopy measurements coupled with ab initio simulations. We show that, contrary to expectations, the adsorption of common chemicals like methanol and acetone has a profound impact on the electrical transport properties of the AuNW. Our measurements and subsequent calculations establish conclusively that in AuNW, semiconductor-like sensitivity to the ambient arises because of changes induced in its local density of states by the surface adsorbed molecules. The extreme sensitivity of the resistance fluctuations of the AuNW to ambient suggests their possible use as solid-state sensors.

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

Science.gov (United States)

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

2012-11-01

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

Prediction of transport phenomena in near and far field: interaction solid phase/fluid phase

International Nuclear Information System (INIS)

Mingarro, E.

1995-01-01

The prediction of transport phenomena in near and far field is presented in the present report. The study begins with the analysis of solid phases stability: solubility of storage waste: UO 2 and solubility of radionuclides the redox and sorption-desorption conditions are the last aspects studied to predict the transport phenomena

Transport Phenomena in Gel

Directory of Open Access Journals (Sweden)

Masayuki Tokita

2016-05-01

Full Text Available Gel becomes an important class of soft materials since it can be seen in a wide variety of the chemical and the biological systems. The unique properties of gel arise from the structure, namely, the three-dimensional polymer network that is swollen by a huge amount of solvent. Despite the small volume fraction of the polymer network, which is usually only a few percent or less, gel shows the typical properties that belong to solids such as the elasticity. Gel is, therefore, regarded as a dilute solid because its elasticity is much smaller than that of typical solids. Because of the diluted structure, small molecules can pass along the open space of the polymer network. In addition to the viscous resistance of gel fluid, however, the substance experiences resistance due to the polymer network of gel during the transport process. It is, therefore, of importance to study the diffusion of the small molecules in gel as well as the flow of gel fluid itself through the polymer network of gel. It may be natural to assume that the effects of the resistance due to the polymer network of gel depends strongly on the network structure. Therefore, detailed study on the transport processes in and through gel may open a new insight into the relationship between the structure and the transport properties of gel. The two typical transport processes in and through gel, that is, the diffusion of small molecules due to the thermal fluctuations and the flow of gel fluid that is caused by the mechanical pressure gradient will be reviewed.

Impact of solid state fermentation on nutritional, physical and flavor properties of wheat bran.

Science.gov (United States)

Zhao, Hui-Min; Guo, Xiao-Na; Zhu, Ke-Xue

2017-02-15

To improve the nutritional, physical and flavor properties of wheat bran, yeast and lactic acid bacteria (LAB) were used for fermenting wheat bran in solid state. Appearance properties, nutritional properties, microstructure, hydration properties and flavor of raw bran and fermented bran were evaluated. After treatments, water extractable arabinoxylans were 3-4 times higher than in raw bran. Total dietary fiber and soluble dietary fiber increased after solid state fermentation. Over 20% of phytic acid was degraded. Microstructure changes and protein degradation were observed in fermented brans. Water holding capacity and water retention capacity of fermented brans were improved. Results suggest that solid state fermentation is an effective way to improve the properties of wheat brans. Copyright © 2016 Elsevier Ltd. All rights reserved.

Sewage Solids Irradiator Transportation System (SSITS) cask: preliminary design description

International Nuclear Information System (INIS)

Eakes, R.G.; Kempka, S.N.; Lamoreaux, G.H.; Sutherland, S.H.

1983-02-01

The preliminary design of the Sewage Solids Irradiator Transportation System (SSITS) Cask is presented in this document. The SSITS cask is to be used for the transport of radioactive cesium chloride and strontium fluoride capsules which are of use in irradiators or as heat sources. The SSITS cask is approximately 1.4 m in diameter, 1.3 m high, weighs roughly 9 t, provides 33 cm of steel shielding, and can dissipate up to 5.2 kW of decay heat. The cask design criteria are identified and a description of the cask design and operation is provided. Detailed analyses of the design were performed to demonstrate licensability of the cask by the Nuclear Regulatory Commission (NRC). Results of the analyses indicate that the preliminary design is in compliance with the pertinent regulatory requirements for licensing of a radioactive material transportation container

A GIS based transportation model for solid waste disposal - A case study on Asansol municipality

International Nuclear Information System (INIS)

Ghose, M.K.; Dikshit, A.K.; Sharma, S.K.

2006-01-01

Uncontrolled growth of the urban population in developing countries in recent years has made solid waste management an important issue. Very often, a substantial amount of total expenditures is spent on the collection of solid waste by city authorities. Optimization of the routing system for collection and transport of solid waste thus constitutes an important component of an effective solid waste management system. This paper describes an attempt to design and develop an appropriate storage, collection and disposal plan for the Asansol Municipality Corporation (AMC) of West Bengal State (India). A GIS optimal routing model is proposed to determine the minimum cost/distance efficient collection paths for transporting the solid wastes to the landfill. The model uses information on population density, waste generation capacity, road network and the types of road, storage bins and collection vehicles, etc. The proposed model can be used as a decision support tool by municipal authorities for efficient management of the daily operations for transporting solid wastes, load balancing within vehicles, managing fuel consumption and generating work schedules for the workers and vehicles. The total cost of the proposed collection systems is estimated to be around 80 million rupees for the fixed cost of storage bins, collection vehicles and a sanitary landfill and around 8.4 million rupees for the annual operating cost of crews, vehicles and landfill maintenance. A substantial amount (25 million rupees/yr) is currently being spent by AMC on waste collection alone without any proper storage/collection system and sanitary landfill. Over a projected period of 15 yr, the overall savings is thus very significant

Simultaneous measurements of transport and poroelastic properties of rocks.

Science.gov (United States)

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

2017-12-01

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

Pharmaceutical cocrystals:formation mechanisms, solubility behaviour and solid-state properties

OpenAIRE

Alhalaweh, Amjad

2012-01-01

The primary aim of pharmaceutical materials engineering is the successful formulation and process development of pharmaceutical products. The diversity of solid forms available offers attractive opportunities for tailoring material properties. In this context, pharmaceutical cocrystals, multicomponent crystalline materials with definite stoichiometries often stabilised by hydrogen bonding, have recently emerged as interesting alternative solid forms with potential for improving the physical a...

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.

Unsaturated Zone and Saturated Zone Transport Properties (U0100)

International Nuclear Information System (INIS)

Conca, J.

2000-01-01

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

Effect of solid distribution on elastic properties of open-cell cellular solids using numerical and experimental methods.

Science.gov (United States)

Zargarian, A; Esfahanian, M; Kadkhodapour, J; Ziaei-Rad, S

2014-09-01

Effect of solid distribution between edges and vertices of three-dimensional cellular solid with an open-cell structure was investigated both numerically and experimentally. Finite element analysis (FEA) with continuum elements and appropriate periodic boundary condition was employed to calculate the elastic properties of cellular solids using tetrakaidecahedral (Kelvin) unit cell. Relative densities between 0.01 and 0.1 and various values of solid fractions were considered. In order to validate the numerical model, three scaffolds with the relative density of 0.08, but different amounts of solid in vertices, were fabricated via 3-D printing technique. Good agreement was observed between numerical simulation and experimental results. Results of numerical simulation showed that, at low relative densities (solid fraction in vertices. By fitting a curve to the data obtained from the numerical simulation and considering the relative density and solid fraction in vertices, empirical relations were derived for Young׳s modulus and Poisson׳s ratio. Copyright © 2014 Elsevier Ltd. All rights reserved.

Impurity transport studies by means of tracer-encapsulated solid pellet injection in neutral beam heated plasmas on LHD

International Nuclear Information System (INIS)

Tamura, N; Sudo, S; Khlopenkov, K V; Kato, S; Sergeev, V Yu; Muto, S; Sato, K; Funaba, H; Tanaka, K; Tokuzawa, T; Yamada, I; Narihara, K; Nakamura, Y; Kawahata, K; Ohyabu, N; Motojima, O

2003-01-01

The quantitative properties of impurity transport in large helical device (LHD) plasmas heated by neutral beam injection have been investigated by means of tracer-encapsulated solid pellet (TESPEL) injection. In the case of a titanium (Ti) tracer, the behaviour of the emission lines from the highly ionized Ti impurity, Ti Kα(E He-like ∼ 4.7 keV) and Ti XIX (λ = 16.959 nm), has been observed clearly by a soft x-ray pulse height analyzer and a vacuum ultraviolet spectrometer, respectively. A fairly longer decay time of the Ti Kα emission lines is obtained above the value of a line-averaged electron density, 3.0x10 19 m -3 . The dependence of the behaviour of the Ti tracer impurity on the line-averaged electron density below the value of that, 3.5x10 19 m -3 is in qualitative agreement with the characteristics obtained from the observation of the behaviour of an intrinsic metallic impurity in neutral beam heated plasmas on LHD. In order to estimate the properties of the Ti impurity transport quantitatively, the one-dimensional impurity transport code, MIST has been used. As a result of the transport analysis with the MIST code, even an small inward convection should be necessary to account for the experimental results with the value of the line-averaged electron density, 3.5x10 19 m -3 . In order to examine the experimentally obtained transport coefficients, neoclassical analysis with respect to the radial impurity flux has been performed. The inferred rise of the inward convection cannot be explained solely by neoclassical impurity transport. Therefore, in order to account for the inward convection, the effect of a radial electric field and/or some other effect must be taken into account additionally

Measurement of Thermal Radiation Properties of Solids

Science.gov (United States)

Richmond, J. C. (Editor)

1963-01-01

The overall objectives of the Symposium were to afford (1) an opportunity for workers in the field to describe the equipment and procedures currently in use for measuring thermal radiation properties of solids, (2) an opportunity for constructive criticism of the material presented, and (3) an open forum for discussion of mutual problems. It was also the hope of the sponsors that the published proceedings of the Symposium would serve as a valuable reference on measurement techniques for evaluating thermal radiation properties of solids, partic.ularly for those with limited experience in the field. Because of the strong dependence of emitted flux upon temperature, the program committee thought it advisable to devote the first session to a discussion of the problems of temperature measurement. All of the papers in Session I were presented at the request of and upon topics suggested by the Committee. Because of time and space limitations, it, was impossible to consider all temperature measurement problems that might arise--the objective was rather to call to the attention of the reader some of the problems that might be encountered, and to provide references that might provide solutions.

Synthesis and properties of hydroxy acrylic resin with high solid content

Science.gov (United States)

Yu, Zhen; Hu, Mingguang; Cui, Han; Xiao, Jijun

2017-10-01

Manufacturers of automotive repair finishes are tending to reduce more and more the level of volatile organic compounds in their paints in order to comply with increasingly strict environmental legislation. A high solid hydroxy acrylic resin was synthesised using CARDURA E10 and a type of hydroxyacrylic acid resin, its' acid value, hydroxylvalue, viscosity, structure, morphology was measured and film-forming properties after curing were characterised. The results show that the addition of CARDURA E10 in the copolymer composition significantly reduced the viscosity of the polymer system, improved the solid content of the resin and the physical properties of the coating. The hydroxyl acrylate resin with solid content of 90% and excellent comprehensive performance were successfully prepared by controlling the initiator dosage, polymerization temperature and monomer ratio.

Structural and dynamic properties of solid state ionics

International Nuclear Information System (INIS)

Sakuma, T.

1995-01-01

The structural and dynamic properties of solid state ionics are reviewed. The low temperature phase transition of the copper halide-chalcogen compounds by specific heat measurements, electrical conductivity measurements and x-ray diffraction measurements are explained. The structures of solid state ionics investigated by the usual x-ray diffraction method and the anomalous x-ray scattering (AXS) measurement are discussed. The expression of the diffuse scattering intensity including the correlations among the thermal displacements of atoms has been given and applied to α-AgI type solid state ionics and lithium sulphate. The presence of low-energy excitations in crystalline copper ion conductors and the superionic conducting glass is investigated by neutron inelastic scattering measurements. The relation between the excitation energy and the mass of the cations is discussed. (author). 141 refs., 21 figs., 7 tabs

Effect of decompression drying treatment on physical properties of solid foods.

Science.gov (United States)

Morikawa, Takuya; Takada, Norihisa; Miura, Makoto

2017-04-01

This study used a decompression drying instrument to investigate the effects of a drying treatment on the physical properties of solid foods. Commercial tofu was used as a model food and was treated at different temperature and pressure conditions in a drying chamber. Overall, high temperatures resulted in better drying. Additionally, pressure in the chamber influenced the drying conditions of samples. Differences in physical properties, such as food texture, shrinkage, and color were observed among some samples, even with similar moisture content. This was caused by differences in moisture distribution in the food, which seems to have manifested as a thin, dried film on the surfaces of samples. It caused inefficient drying and changes in physical properties. Control of the drying conditions (i.e. pressure and heat supply) has relations with not only physical properties, but also the drying efficiency of solid foods.

Physical properties of lead free solders in liquid and solid state

Energy Technology Data Exchange (ETDEWEB)

Mhiaoui, Souad

2007-04-17

The European legislation prohibits the use of lead containing solders in Europe. However, lead free solders have a higher melting point (typical 20%) and their mechanical characteristics are worse. Additional problems are aging and adhesion of the solder on the electronic circuits. Thus, research activities must focus on the optimization of the properties of Sn-Ag-Cu based lead free solders chosen by the industry. Two main objectives are treated in this work. In the center of the first one is the study of curious hysteresis effects of metallic cadmium-antimony alloys after thermal cycles by measuring electronic transport phenomena (thermoelectric power and electrical resistivity). The second objective, within the framework of ''cotutelle'' between the universities of Metz and of Chemnitz and supported by COST531, is to study more specifically lead free solders. A welding must well conduct electricity and well conduct and dissipate heat. In Metz, we determined the electrical conductivity, the thermoelectric power and the thermal conductivity of various lead free solders (Sn-Ag-Cu, Sn-Cu, Sn-Ag, Sn-Sb) as well in the liquid as well in the solid state. The results have been compared to classical lead-tin (Pb-Sn) solders. In Chemnitz we measured the surface tension, the interfacial tension and the density of lead free solders. We also measured the viscosity of these solders without and with additives, in particular nickel. These properties were related to the industrial problems of wettability and spreadability. Lastly, we solidified alloys under various conditions. We observed undercooling. We developed a technique of mixture of nanocrystalline powder with lead free solders ''to sow'' the liquid bath in order to obtain ''different'' solids which were examined using optical and electron microscopy. (orig.)

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

Energy Technology Data Exchange (ETDEWEB)

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

2011-07-01

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

Proceedings of Solid National Meeting 2011

International Nuclear Information System (INIS)

Comedi, D.; Ferreyra, J.; Nieva, N.; Heluani, S. Perez de; Simonelli, G.; Tirado, M.; Vilafuerte, M.

2011-01-01

The National University of Tucuman of Argentina has organized the 'Solid National Meeting', held in San Miguel de Tucuman in november 2011, in order to collaborate with the latest scientific advances in the field of solid state physics. The main topics covered were: magnetic properties of novel nanoparticle systems; decoherent many-body interactions in quantum transport from conducting polymers and giant magnetoresistance to quantum dynamical phase transitions in double dots and heterogeneous catalysis; characterisation of single nanowires; Imaging with synchrotron radiation in the x-ray and the infrared; electronic properties of Be and Al by scattering technique compton; structure and dynamics of network model polydimethylsiloxane; a study combining rheology and resonance nuclear magnetic,among others.

Modeling conversion and transport phenomena in solid-state fermentation: a review and perspectives

NARCIS (Netherlands)

Rahardjo, Y.S.P.; Tramper, J.; Rinzema, A.

2006-01-01

Solid-state fermentation (SSF) is accompanied inevitably by development of concentration and temperature gradients within the substrate particles and microbial biofilms. These gradients are needed for driving the transport of substrates and products. In addition, concentration gradients have been

Drug delivery properties of macroporous polystyrene solid foams.

Science.gov (United States)

Canal, Cristina; Aparicio, Rosa Maria; Vilchez, Alejandro; Esquena, Jordi; García-Celma, Maria José

2012-01-01

Polymeric porous foams have been evaluated as possible new pharmaceutical dosage forms. These materials were obtained by polymerization in the continuous phase of highly concentrated emulsions prepared by the phase inversion temperature method. Their porosity, specific surface and surface topography were characterized, and the incorporation and release of active principles was studied using ketoprofen as model lipophilic molecule. Solid foams with very high pore volume, mainly inside macropores, were obtained by this method. The pore morphology of the materials was characterized, and very rough topography was observed, which contributed to their nearly superhydrophobic properties. These solid foams could be used as delivery systems for active principles with pharmaceutical interest, and in the present work ketoprofen was used as a model lipophilic molecule. Drug incorporation and release was studied from solid foam disks, using different concentrations of the loading solutions, achieving a delayed release with short lag-time.

Transport properties of Nd0.67Sr0.33Mn0.85Co0.15O3 manganite

Science.gov (United States)

Bhargav, Abhinav; Tank, Tejas M.; Sanyal, Sankar P.

2018-05-01

We have studied the structural and electrical transport properties of Nd0.67Sr0.33Mn0.85Co0.15O3 manganite prepared through conventional solid state reaction technique. The investigation of X-ray diffraction data and rietvield refinement show that the synthesized sample is single phase in nature and crystallizes in orthorhombic perovskite structure with Pbnm space group. The resistivity versus temperature measurement for sample Nd0.67Sr0.33Mn0.85Co0.15O3 was performed in the range 0-300K and at 0T field. The electrical transport mechanism of the sample is analyzed by different theoretical models, for temperatures below and above TP.

Transport properties of chiral fermions

Energy Technology Data Exchange (ETDEWEB)

Puhr, Matthias

2017-04-26

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

Muonium formation via charge transport in solids and liquids

International Nuclear Information System (INIS)

Storchak, Vyacheslav G.; Brewer, Jess H.; Cox, Stephen F.J.

1997-01-01

We review our recent experimental studies on delayed muonium formation in insulators and semiconductors. This involves the positive muon capturing one of the excess electrons liberated in its own ionization track and competes with recombination or escape of the electrons. The muon is generally found to thermalise well 'downstream' from the center of the electron distribution, so that the transport mechanism of the electrons is a crucial factor. This is discussed in terms of the different tendencies to localization (as polarons in solids or in bubbles in liquids) vs. band-like propagation. Studies of Van der Waals cryocrystals and cryoliquids are reviewed and some preliminary results reported for sapphire and silicon. Transport distances and times are determined from the variation of μSR signal amplitudes with applied electric and magnetic fields, respectively, enabling the development of a new technique for measuring electron mobilities on a microscopic scale

Investigation of electronic transport properties of some liquid transition metals

Science.gov (United States)

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

2018-04-01

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

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

DEFF Research Database (Denmark)

Shapiro, Alexander

2004-01-01

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

Influence of industrial solid waste addition on properties of soil-cement bricks

Directory of Open Access Journals (Sweden)

F. B. Siqueira

Full Text Available Abstract The reuse of pollutant solid wastes produced in distinct industrial activities (avian eggshell waste and welding flux slag waste as a source of alternative raw material for producing soil-cement bricks for civil construction was investigated. Soil-cement bricks containing up to 30 wt% of industrial solid waste were uniaxially pressed and cured for 28 days. Special emphasis is given on the influence of solid waste addition on the technical properties (as such volumetric shrinkage, water absorption, bulk density, durability, and compressive strength, microstructure and mineral phases of soil-cement bricks. Microstructural evolution was evaluated via confocal microscopy. The experimental results showed that the solid wastes behave as charge material and influenced both technical properties and microstructure of the soil-cement bricks. It was found that up to 15 wt% of welding flux slag waste and up to 30 wt% of avian eggshell waste could be added into the soil-cement bricks for use as building material.

Quantum transport in semiconductor nanowires

NARCIS (Netherlands)

Van Dam, J.

2006-01-01

This thesis describes a series of experiments aimed at understanding the low-temperature electrical transport properties of semiconductor nanowires. The semiconductor nanowires (1-100 nm in diameter) are grown from nanoscale gold particles via a chemical process called vapor-liquid-solid (VLS)

Physical properties of highly active liquor containing molybdate solids

International Nuclear Information System (INIS)

Dunnett, B.; Ward, T.; Roberts, R.; Cheeseright, J.

2016-01-01

The reprocessing of irradiated nuclear fuel at Sellafield produces a nitric acid based Highly Active Liquor (HAL) waste. The liquor, containing fission products and process additives, is concentrated in an evaporator in order to reduce the volume and is then stored in Highly Active Storage Tanks (HASTs) prior to vitrification. Caesium phosphomolybdate (CPM) is precipitated during the evaporation process and can convert to zirconium molybdate (ZM) during storage. During Post Operational Clean Out (POCO) of the HASTs, it is expected that their highly active content will be reduced by repeated cycles of washing using nitric acid and other reagents. Initial washings are likely to have a chemical composition comparable to concentrated HAL, becoming more dilute during the wash-out process. It is expected that the wash-out process will also recover significant quantities of molybdate solids (ZM, CPM or a mixture) from the HASTs. In order to determine the processing challenges from such washings during POCO, the physical properties of varying concentrations of non-active HAL simulants containing molybdate solids have recently been measured by the UK's National Nuclear Laboratory. The following measurements are presented and discussed: Particle size distribution; Density; Settling behaviour of solids; Voidage of settled sediment beds; Viscosity; Yield stress; And influence of ZM morphology on physical properties. (authors)

Physical properties of highly active liquor containing molybdate solids

Energy Technology Data Exchange (ETDEWEB)

Dunnett, B.; Ward, T.; Roberts, R. [National Nuclear Laboratory, Sellafield, Seascale, Cumbria, CA20 1PG (United Kingdom); Cheeseright, J. [Sellafield Ltd, Sellafield, Seascale, Cumbria, CA20 1PG (United Kingdom)

2016-07-01

The reprocessing of irradiated nuclear fuel at Sellafield produces a nitric acid based Highly Active Liquor (HAL) waste. The liquor, containing fission products and process additives, is concentrated in an evaporator in order to reduce the volume and is then stored in Highly Active Storage Tanks (HASTs) prior to vitrification. Caesium phosphomolybdate (CPM) is precipitated during the evaporation process and can convert to zirconium molybdate (ZM) during storage. During Post Operational Clean Out (POCO) of the HASTs, it is expected that their highly active content will be reduced by repeated cycles of washing using nitric acid and other reagents. Initial washings are likely to have a chemical composition comparable to concentrated HAL, becoming more dilute during the wash-out process. It is expected that the wash-out process will also recover significant quantities of molybdate solids (ZM, CPM or a mixture) from the HASTs. In order to determine the processing challenges from such washings during POCO, the physical properties of varying concentrations of non-active HAL simulants containing molybdate solids have recently been measured by the UK's National Nuclear Laboratory. The following measurements are presented and discussed: Particle size distribution; Density; Settling behaviour of solids; Voidage of settled sediment beds; Viscosity; Yield stress; And influence of ZM morphology on physical properties. (authors)

Evaluating the transport of solids generated by shale instabilities in ERW drilling

Energy Technology Data Exchange (ETDEWEB)

Martins, A. L.; Santana, M.; Gaspari, E.; Campos, W. [petrobras S.A. (Brazil)

1998-12-31

Foundation for a new approach to understanding well bore problems are proposed. The new approach involves a computer-based time dependent mathematical model, based on the two-layer model approach. The model considers added amounts of solids that result from the crumbling and cave-in of the well bore, and advocates that for best results, cuttings transport, formation instabilities and differential sticking should be analyzed together. The results described in this paper confirm that the proposed formulation is an effective tool for the realistic simulation of drilled cuttings transport phenomena. The proposed approach shows a potential for drilling with lower mud weights, assuming that there is sufficient hydraulic capacity. In such cases it would be possible to continue drilling in the presence of instabilities and maintain hole cleaning at a satisfactory level. If on the other hand, there is already a considerable bed of solids in the annulus, any instability would be very risky. Further development of the model will include consideration of variable inclinations, analysis of different instability functions and validation by field studies. 17 refs., 12 figs.

Solid state synthesis, crystal growth and optical properties of urea and p-chloronitrobenzene solid solution

Energy Technology Data Exchange (ETDEWEB)

Rai, R.N., E-mail: rn_rai@yahoo.co.in [Department of Chemistry, Centre of Advanced Study, Banaras Hindu University, Varanasi 221005 (India); Kant, Shiva; Reddi, R.S.B. [Department of Chemistry, Centre of Advanced Study, Banaras Hindu University, Varanasi 221005 (India); Ganesamoorthy, S. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamilnadu (India); Gupta, P.K. [Laser Materials Development & Devices Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

2016-01-15

Urea is an attractive material for frequency conversion of high power lasers to UV (for wavelength down to 190 nm), but its usage is hindered due to its hygroscopic nature, though there is no alternative organic NLO crystal which could be transparent up to 190 nm. The hygroscopic character of urea has been modified by making the solid solution (UCNB) of urea (U) and p-chloronitrobenzene (CNB). The formation of the solid solution of CNB in U is explained on the basis of phase diagram, powder XRD, FTIR, elemental analysis and single crystal XRD studies. The solubility of U, CNB and UCNB in ethanol solution is evaluated at different temperatures. Transparent single crystals of UCNB are grown from its saturated solution in ethanol. Optical properties e.g., second harmonic generation (SHG), refractive index and the band gap for UCNB crystal were measured and their values were compared with the parent compounds. Besides modification in hygroscopic nature, UCNB has also shown the higher SHG signal and mechanical hardness in comparison to urea crystal. - Highlights: • The hygroscopic character of urea was modified by making the solid solution • Solid solution formation is support by elemental, powder- and single crystal XRD • Crystal of solid solution has higher SHG signal and mechanical stability. • Refractive index and band gap of solid solution crystal have determined.

Measurement of electromagnetic properties of powder and solid metal materials for additive manufacturing

Science.gov (United States)

Todorov, Evgueni Iordanov

2017-04-01

The lack of validated nondestructive evaluation (NDE) techniques for examination during and after additive manufacturing (AM) component fabrication is one of the obstacles in the way of broadening use of AM for critical applications. Knowledge of electromagnetic properties of powder (e.g. feedstock) and solid AM metal components is necessary to evaluate and deploy electromagnetic NDE modalities for examination of AM components. The objective of this research study was to develop and implement techniques for measurement of powder and solid metal electromagnetic properties. Three materials were selected - Inconel 625, duplex stainless steel 2205, and carbon steel 4140. The powder properties were measured with alternate current (AC) model based eddy current technique and direct current (DC) resistivity measurements. The solid metal properties were measured with DC resistivity measurements, DC magnetic techniques, and AC model based eddy current technique. Initial magnetic permeability and electrical conductivity were acquired for both powder and solid metal. Additional magnetic properties such as maximum permeability, coercivity, retentivity, and others were acquired for 2205 and 4140. Two groups of specimens were tested along the build length and width respectively to investigate for possible anisotropy. There was no significant difference or anisotropy when comparing measurements acquired along build length to those along the width. A trend in AC measurements might be associated with build geometry. Powder electrical conductivity was very low and difficult to estimate reliably with techniques used in the study. The agreement between various techniques was very good where adequate comparison was possible.

Physics of solids

CERN Document Server

Ketterson, John B

2016-01-01

This comprehensive text covers the basic physics of the solid state starting at an elementary level suitable for undergraduates but then advancing, in stages, to a graduate and advanced graduate level. In addition to treating the fundamental elastic, electrical, thermal, magnetic, structural, electronic, transport, optical, mechanical and compositional properties, we also discuss topics like superfluidity and superconductivity along with special topics such as strongly correlated systems, high-temperature superconductors, the quantum Hall effects, and graphene. Particular emphasis is given to so-called first principles calculations utilizing modern density functional theory which for many systems now allow accurate calculations of the electronic, magnetic, and thermal properties.

Pseudopotentials for calculating the bulk and surface properties of solids

International Nuclear Information System (INIS)

Cohen, M.L.

1983-01-01

A survey is presented describing research in condensed matter physics using pseudopotentials to calculate electronic, structural, and vibrational properties of solids. Semiconductors are emphasized, and both bulk and surface calculations are discussed. (author) [pt

Thermophysical properties of uranium dioxide

International Nuclear Information System (INIS)

Fink, J.K.

2000-01-01

Experimental data on thermodynamic and transport properties of solid and liquid UO 2 have been reviewed and analyzed to obtain consistent equations for the thermophysical properties. Thermodynamic properties that have been assessed include enthalpy, heat capacity, enthalpy of fusion, thermal expansion, density, surface tension and vapor pressure. Transport properties that have been assessed are thermal diffusivity, thermal conductivity, viscosity, emissivity and optical constants. The assessments include a review of the experiments and data, review of previous recommendations, analysis of data to obtain new recommendations, determination of uncertainties in the recommended values, and comparisons of new recommendations with data and previous recommendations

Hydrothermal synthesis of pollucite, analcime and their solid solutions and analysis of their properties

Energy Technology Data Exchange (ETDEWEB)

Jing, Zhenzi, E-mail: zzjing@tongji.edu.cn [Key Laboratory of Advanced Civil Engineering Materials, Ministry of Education, Tongji University, 4800 Cao' an Road, Shanghai 201804 (China); Cai, Kunchuan; Li, Yan; Fan, Junjie; Zhang, Yi; Miao, Jiajun; Chen, Yuqian [Key Laboratory of Advanced Civil Engineering Materials, Ministry of Education, Tongji University, 4800 Cao' an Road, Shanghai 201804 (China); Jin, Fangming [School of Environmental Science and Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240 (China)

2017-05-15

Pollucite, as a perfect long-term potential host for radioactive Cs immobilization, barely exists in pure form naturally but in an isomorphism form between pollucite and analcime due to coexistence of Cs and Na. Pollucite could be hydrothermally synthesized with Cs-polluted soil or clay minerals which contain Cs and Na, and it is necessary to study the properties of the synthesis if Cs and Na contained. Pure pollucite, analcime and their solid solutions were hydrothermally synthesized with chemicals, and it was found that the most formed pollucite analcime solid solutions with Cs/(Cs + Na) ratios of 2/6–5/6 had very similar properties in mineral composition, morphology and size, structural water (Cs cations) and coordination environment to pollucite. This also suggests that even coexistence of Cs and Na in nature, pollucite favors to form due to site preference for Cs over Na, which leads to the property and the structure of the most solid solutions similar to that of pollucite. - Highlights: •Pure pollucite barely exists in nature due to coexistence of Cs and Na. •Pollucite, analcime and their solid solutions could be hydrothermally synthesized. •Most formed solid solutions were found to have similar properties to pollucite. •Even coexistence in nature, pollucite favors to form due to site preference for Cs over Na.

Assaying the proton transport and regulation of UCP1 using solid supported membranes.

Science.gov (United States)

Blesneac, Iulia; Ravaud, Stéphanie; Machillot, Paul; Zoonens, Manuela; Masscheylen, Sandrine; Miroux, Bruno; Vivaudou, Michel; Pebay-Peyroula, Eva

2012-08-01

The uncoupling protein 1 (UCP1) is a mitochondrial protein that carries protons across the inner mitochondrial membrane. It has an important role in non-shivering thermogenesis, and recent evidence suggests its role in human adult metabolism. Using rapid solution exchange on solid supported membranes, we succeeded in measuring electrical currents generated by the transport activity of UCP1. The protein was purified from mouse brown adipose tissue, reconstituted in liposomes and absorbed on solid supported membranes. A fast pH jump activated the ion transport, and electrical signals could be recorded. The currents were characterized by a fast rise and a slow decay, were stable over time, inhibited by purine nucleotides and activated by fatty acids. This new assay permits direct observation of UCP1 activity in controlled cell-free conditions, and opens up new possibilities for UCP1 functional characterization and drug screening because of its robustness and its potential for automation.

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

Science.gov (United States)

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

2016-11-01

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

Transport properties and electronic structure of epitaxial tunnel junctions

Czech Academy of Sciences Publication Activity Database

Freyss, M.; Papanikolaou, N.; Bellini, V.; Zeller, R.; Dederichs, P.; Turek, Ilja

2002-01-01

Roč. 240, 1/3 (2002), s. 117-120 ISSN 0304-8853 R&D Projects: GA ČR GA106/02/0943; GA MŠk ME 374 Institutional research plan: CEZ:AV0Z2041904 Keywords : junctions * transport Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.046, year: 2002

Oxygen transport properties estimation by DSMC-CT simulations

Energy Technology Data Exchange (ETDEWEB)

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

2014-12-09

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

Transport properties of quasi-free Fermions

CERN Document Server

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

2006-01-01

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

Influence of industrial solid waste addition on properties of soil-cement bricks

OpenAIRE

Siqueira, F. B.; Amaral, M. C.; Bou-Issa, R. A.; Holanda, J. N. F.

2016-01-01

Abstract The reuse of pollutant solid wastes produced in distinct industrial activities (avian eggshell waste and welding flux slag waste) as a source of alternative raw material for producing soil-cement bricks for civil construction was investigated. Soil-cement bricks containing up to 30 wt% of industrial solid waste were uniaxially pressed and cured for 28 days. Special emphasis is given on the influence of solid waste addition on the technical properties (as such volumetric shrinkage, wa...

Proceedings of the DAE solid state physics symposium. V. 51

International Nuclear Information System (INIS)

Bhushan, K.G.; Gupta, S.K.

2006-01-01

DAE Solid State Physics Symposium, sponsored by the Board of Research in Nuclear Sciences, Department of Atomic Energy, is organized annually. The topics covered are phase transitions, soft condensed matter, nano-materials, experimental techniques, instrumentation and solid state devices, superconductivity, magnetism, electronic structure and phonons, semiconductor physics, transport properties, surface - interface and thin films, liquids, glasses and amorphous systems, etc. Papers relevant to INIS are indexed separately

Using reweighting and free energy surface interpolation to predict solid-solid phase diagrams

Science.gov (United States)

Schieber, Natalie P.; Dybeck, Eric C.; Shirts, Michael R.

2018-04-01

Many physical properties of small organic molecules are dependent on the current crystal packing, or polymorph, of the material, including bioavailability of pharmaceuticals, optical properties of dyes, and charge transport properties of semiconductors. Predicting the most stable crystalline form at a given temperature and pressure requires determining the crystalline form with the lowest relative Gibbs free energy. Effective computational prediction of the most stable polymorph could save significant time and effort in the design of novel molecular crystalline solids or predict their behavior under new conditions. In this study, we introduce a new approach using multistate reweighting to address the problem of determining solid-solid phase diagrams and apply this approach to the phase diagram of solid benzene. For this approach, we perform sampling at a selection of temperature and pressure states in the region of interest. We use multistate reweighting methods to determine the reduced free energy differences between T and P states within a given polymorph and validate this phase diagram using several measures. The relative stability of the polymorphs at the sampled states can be successively interpolated from these points to create the phase diagram by combining these reduced free energy differences with a reference Gibbs free energy difference between polymorphs. The method also allows for straightforward estimation of uncertainties in the phase boundary. We also find that when properly implemented, multistate reweighting for phase diagram determination scales better with the size of the system than previously estimated.

Properties of molecular solids and fluids at high pressures and temperatures. [Final report

International Nuclear Information System (INIS)

Etters, R.D.

1985-01-01

Equilibrium structures and orientations, lattice vibrational and librational model frequencies, intramolecular vibron mode frequencies, sound velocities, equations of state, compressibilities, and structural and orientational phase transitions in molecular solids are determined over a wide range of pressures and temperatures. In the high temperature fluid phase the equations of state, vibron frequencies, the melting transition, specific heats, compressibilities, second virial coefficients, viscosities and other transport properties, and the nature of orientational and magnetic correlations are determined. The techniques used include several strategies to optimize multi-dimensional functions as a means to determine equilibrium structures and orientations, self consistent phonon lattice dynamics methods, constant pressure and constant volume Monte-Carlo strategies with continuously deformable boundary conditions, mean field approximations, and classical perturbation methods. Systems studied include N 2 , O 2 , CO, CO 2 , F 2 , N 2 O, benzine, nitromethane, HCL, HBr, and H 2 . 50 refs., 4 figs

Characterization and Design of Zeolite Catalysts Solid Acidity, Shape Selectivity and Loading Properties

CERN Document Server

Niwa, Miki; Okumura, Kazu

2010-01-01

Zeolites are microporous, aluminosilicate minerals commonly used as commercial adsorbents. Zeolite-based catalysts are used by industrial chemical companies in the interconversion of hydrocarbons and the alkylation of aromatic compounds. The current book deals with the characterization of specific properties of Zeolites and calculations for the design of catalysts. Measurements and utilization of solid acidity, shape selectivity, and loading properties, that are three prominent properties of a Zeolite catalyst, are treated in detail. These features concern chemical vapor deposition of silica, shape selectivity, loading properties, solid activity, Brønsted or Lewis character, ammonia temperature programmed desorption, control of the pore-opening size by chemical vapor deposition of silica and XAFS analysis of metals being highly dispersed inside and outside a framework.

129Xe NMR spectroscopy in microporous solids: The effect of bulk properties

International Nuclear Information System (INIS)

Ripmeester, John A.; Ratcliffe, Christopher I.

1993-01-01

In this contribution we point out a number of factors related to the bulk properties of microporous solids which must be taken into account in order first of all to obtain meaningful 129 Xe NMR spectral data, and secondly to interpret the data properly. This sensitivity to bulk properties is especially important for microporous solids where there is little or no barrier to xenon passage from inside the particle to the interparticle space. We examine the effect of particle size, powder bulk density and particle anisotropy, and also the effect of low thermal conductivity of low density powders

Molecular and solid-state properties of tris-(8-hydroxyquinolate)-aluminum

International Nuclear Information System (INIS)

Martin, Richard L.; Kress, Joel D.; Campbell, I. H.; Smith, D. L.

2000-01-01

We use a hybrid density-functional-theory approach to calculate ground-state electronic properties and a time-dependent density-functional-theory approach to investigate the excited state electronic properties of molecular tris-(8-hydroxyquinolate)-aluminum, Alq. The calculated molecular results are compared with measurements on dense solid-state films of Alq. We specifically consider: the optical absorption spectrum near the fundamental absorption threshold, the ionization potential, the single-particle energy gap, the static dielectric constant, and the electric-field dependence of the electron mobility. We find that the molecular calculations can describe the optical absorption spectrum near the fundamental absorption threshold without significant corrections for solid-state effects. The energies of the triplet excited states are computed and the lowest triplet is found to lie 0.64 eV below the lowest excited singlet state. In contrast, large dielectric corrections must be included for the molecular calculations to describe the ionization potential and single-particle energy gap. When these dielectric corrections are made, using the calculated molecular polarizability, which accurately gives the measured static dielectric constant, both the ionization potential and single-particle energy gap are well described. The calculated molecular dipole moment can be used to interpret the electric-field dependence of the electron mobility. The solid-state properties, determined from the molecular calculations, are then used in a device model to describe the measured current-voltage characteristics in Alq diodes. (c) 2000 The American Physical Society

Magnetic and transport properties of Ni2MnGa-BaTiO3 metal-insulator particulate composite with percolation threshold

International Nuclear Information System (INIS)

Won, C.J.; Kambale, R.C.; Hur, N.

2011-01-01

Highlights: → The Ni 2 MnGa-BaTiO 3 type composites were first time prepared by solid state reaction. → Temperature dependent magnetic properties reveal two kinds of transitions in these composite. → The present materials show negative magnetoresistance effect. → The present studies on magnetic and electrical transport of metal/insulator (NMG/BTO) composites shows the resistivity change associated to filamentary conducting path at percolation threshold. - Abstract: Here we report the magnetic and transport properties of the metal/insulator (f NMG )Ni 2 MnGa/(1 - f NMG )BaTiO 3 composites. The X-ray diffraction study confirms the formation of both the phases in composite. The microstructure reveals that the conducting Ni 2 MnGa particles are well dispersed in an insulating BaTiO 3 matrix. Temperature dependent magnetization shows two transitions one above 300 K and other below 150 K. The temperature dependence resistivity near the percolation threshold f NMG = 0.4 had drastic changes which is higher than the f NMG = 0.5. Also the negative magnetoresistance effect was observed for the studied materials. We suggest that magnetic and transport properties at the percolation threshold can be adjusted by the strain from the surrounding insulator particle.

Structural properties of the Chinese air transportation multilayer network

International Nuclear Information System (INIS)

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

2016-01-01

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

Multi-length scale tomography for the determination and optimization of the effective microstructural properties in novel hierarchical solid oxide fuel cell anodes

Science.gov (United States)

Lu, Xuekun; Taiwo, Oluwadamilola O.; Bertei, Antonio; Li, Tao; Li, Kang; Brett, Dan J. L.; Shearing, Paul R.

2017-11-01

Effective microstructural properties are critical in determining the electrochemical performance of solid oxide fuel cells (SOFCs), particularly when operating at high current densities. A novel tubular SOFC anode with a hierarchical microstructure, composed of self-organized micro-channels and sponge-like regions, has been fabricated by a phase inversion technique to mitigate concentration losses. However, since pore sizes span over two orders of magnitude, the determination of the effective transport parameters using image-based techniques remains challenging. Pioneering steps are made in this study to characterize and optimize the microstructure by coupling multi-length scale 3D tomography and modeling. The results conclusively show that embedding finger-like micro-channels into the tubular anode can improve the mass transport by 250% and the permeability by 2-3 orders of magnitude. Our parametric study shows that increasing the porosity in the spongy layer beyond 10% enhances the effective transport parameters of the spongy layer at an exponential rate, but linearly for the full anode. For the first time, local and global mass transport properties are correlated to the microstructure, which is of wide interest for rationalizing the design optimization of SOFC electrodes and more generally for hierarchical materials in batteries and membranes.

Generalized Kubo formulas for the transport properties of incommensurate 2D atomic heterostructures

Science.gov (United States)

Cancès, Eric; Cazeaux, Paul; Luskin, Mitchell

2017-06-01

We give an exact formulation for the transport coefficients of incommensurate two-dimensional atomic multilayer systems in the tight-binding approximation. This formulation is based upon the C* algebra framework introduced by Bellissard and collaborators [Coherent and Dissipative Transport in Aperiodic Solids, Lecture Notes in Physics (Springer, 2003), Vol. 597, pp. 413-486 and J. Math. Phys. 35(10), 5373-5451 (1994)] to study aperiodic solids (disordered crystals, quasicrystals, and amorphous materials), notably in the presence of magnetic fields (quantum Hall effect). We also present numerical approximations and test our methods on a one-dimensional incommensurate bilayer system.

Free energy of formation of Mo2C and the thermodynamic properties of carbon in solid molybdenum

Science.gov (United States)

Seigle, L. L.; Chang, C. L.; Sharma, T. P.

1979-01-01

As part of a study of the thermodynamical properties of interstitial elements in refractory metals, the free energy of formation of Mo2C is determined, and the thermodynamical properties of C in solution in solid Mo evaluated. The activity of C in the two-phase region Mo + Mo2C is obtained from the C content of iron rods equilibrated with metal + carbide powder mixtures. The free energy of formation of alpha-Mo2C is determined from the activity data. The thermodynamic properties of C in the terminal solid solution are calculated from available data on the solid solubility of C in Mo. Lattice distortion due to misfit of the C atoms in the interstitial sites appears to play a significant role in determining the thermodynamic properties of C in solid Mo.

Anisotropic bias dependent transport property of defective phosphorene layer

Science.gov (United States)

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

2015-01-01

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

A Quantitative Property-Property Relationship for the Internal Diffusion Coefficients of Organic Compounds in Solid Materials

DEFF Research Database (Denmark)

Huang, Lei; Fantke, Peter; Jolliet, Olivier

2017-01-01

of chemical-material combinations. This paper develops and evaluates a quantitative property-property relationship (QPPR) to predict diffusion coefficients for a wide range of organic chemicals and materials. We first compiled a training dataset of 1103 measured diffusion coefficients for 158 chemicals in 32......Indoor releases of organic chemicals encapsulated in solid materials are major contributors to human exposures and are directly related to the internal diffusion coefficient in solid materials. Existing correlations to estimate the diffusion coefficient are only valid for a limited number...... consolidated material types. Following a detailed analysis of the temperature influence, we developed a multiple linear regression model to predict diffusion coefficients as a function of chemical molecular weight (MW), temperature, and material type (adjusted R2 of 0.93). The internal validations showed...

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

International Nuclear Information System (INIS)

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

1996-01-01

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

Cathode and electrolyte materials for solid oxide fuel cells and ion transport membranes

Science.gov (United States)

Jacobson, Allan J; Wang, Shuangyan; Kim, Gun Tae

2014-01-28

Novel cathode, electrolyte and oxygen separation materials are disclosed that operate at intermediate temperatures for use in solid oxide fuel cells and ion transport membranes based on oxides with perovskite related structures and an ordered arrangement of A site cations. The materials have significantly faster oxygen kinetics than in corresponding disordered perovskites.

Thermodynamic properties of solid deuterium in premelting region

International Nuclear Information System (INIS)

Udovichenko, B.G.; Esel'son, V.B.; Manzhelij, V.G.

1984-01-01

Thermal expansion and isothermal compressibility of solid normal deuterium are measured near the melting line under pressures up to 500 atm. The earlier measurement method is improved to operate in a wider range of working pressures. The effects are discussed which are produced by zero trranslational oscillations in the thermodynamic properties of deuterium. The change in the molar volume in the range from T=0 to the melting temperature is considered as a quantum characteristic of the crystal. The molar volumes of solid deuterium observed at the melting line at moderate P are compared and specified. At P=O and T=0 the molar volume of o-D 2 is found to be V 00 =(20.03+-0.07) cm 3 /mole which follows from the thermodynamic experiment

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

Science.gov (United States)

Obregon, Bibiana; Guzman, Lev

2011-03-01

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

Electro-Thermal Transport in Nanotube Based Composites for Macroelectronic Applications

OpenAIRE

Kumar, Satish

2007-01-01

Dispersions of particles of different shapes and sizes in fluids or solids modify the transport properties of the underlying matrix. A remarkable enhancement in the electrical, thermal and other transport properties of the matrix due to the long aspect ratio dispersions like nanotube/nanowires has been observed my many research groups. This has motivated tremendous research to explore these composites for various macro-electronic and micro-electronic applications in the last decade. Carbon na...

Numerical modelling of solid transport caused by an extreme flood: Case of the Hamiz dam failure (Algeria

Directory of Open Access Journals (Sweden)

Haddad Ali

2017-07-01

Full Text Available Study of solid transport caused by the flow of an extreme flood such as the propagation of dam failure wave aims to simulate the hydrodynamics behaviour of the solid particles contained in the valley during the flood passage. With this intention, we have developed a numerical model which is based on the resolution of the one-dimensional Saint Venant–Exner equations by the implicit finite difference scheme. Numerical stability of liquid phase calculation is checked by the Courant number and De Vries condition for the solid phase. The model has been applied to the Hamiz dam (Algeria which is built in the semi arid zone and presents a major risk of failure. The simulation of several scenarios of dam failure has allowed us to trace the cartography of sediment transport in the valley which is induced by the flood of dam failure.

Effects of Sublattice Symmetry and Frustration on Ionic Transport in Garnet Solid Electrolytes

Science.gov (United States)

Kozinsky, Boris; Akhade, Sneha A.; Hirel, Pierre; Hashibon, Adham; Elsässer, Christian; Mehta, Prateek; Logeat, Alan; Eisele, Ulrich

2016-02-01

We use rigorous group-theoretic techniques and molecular dynamics to investigate the connection between structural symmetry and ionic conductivity in the garnet family of solid Li-ion electrolytes. We identify new ordered phases and order-disorder phase transitions that are relevant for conductivity optimization. Ionic transport in this materials family is controlled by the frustration of the Li sublattice caused by incommensurability with the host structure at noninteger Li concentrations, while ordered phases explain regions of sharply lower conductivity. Disorder is therefore predicted to be optimal for ionic transport in this and other conductor families with strong Li interaction.

Attosecond photoelectron spectroscopy of electron transport in solids

International Nuclear Information System (INIS)

Magerl, Elisabeth

2011-01-01

Time-resolved photoelectron spectroscopy of condensed matter systems in the attosecond regime promises new insights into excitation mechanisms and transient dynamics of electrons in solids. This timescale became accessible directly only recently with the development of the attosecond streak camera and of laser systems providing few-cycle, phase-controlled laser pulses in the near-infrared, which are used to generate isolated, sub-femtosecond extreme-ultraviolet pulses with a well-defined timing with respect to the near-infrared pulse. Employing these pulses, the attosecond streak camera offers time resolutions as short as a few 10 attoseconds. In the framework of this thesis, a new, versatile experimental apparatus combining attosecond pulse generation in gases with state of the art surface science techniques is designed, constructed, and commissioned. Employing this novel infrastructure and the technique of the attosecond transient recorder, we investigate transport phenomena occurring after photoexcitation of electrons in tungsten and rhenium single crystals and show that attosecond streaking is a unique method for resolving extremely fast electronic phenomena in solids. It is demonstrated that electrons originating from different energy levels, i.e. from the conduction band and the 4f core level, are emitted from the crystal surface at different times. The origin of this time delay, which is below 150 attoseconds for all studied systems, is investigated by a systematic variation of several experimental parameters, in particular the photon energy of the employed attosecond pulses. These experimental studies are complemented by theoretical studies of the group velocity of highly-excited electrons based on ab initio calculations. While the streaking technique applied on single crystals can provide only information about the relative time delay between two types of photoelectrons, the absolute transport time remains inaccessible. We introduce a scheme of a reference

Attosecond photoelectron spectroscopy of electron transport in solids

Energy Technology Data Exchange (ETDEWEB)

Magerl, Elisabeth

2011-03-31

Time-resolved photoelectron spectroscopy of condensed matter systems in the attosecond regime promises new insights into excitation mechanisms and transient dynamics of electrons in solids. This timescale became accessible directly only recently with the development of the attosecond streak camera and of laser systems providing few-cycle, phase-controlled laser pulses in the near-infrared, which are used to generate isolated, sub-femtosecond extreme-ultraviolet pulses with a well-defined timing with respect to the near-infrared pulse. Employing these pulses, the attosecond streak camera offers time resolutions as short as a few 10 attoseconds. In the framework of this thesis, a new, versatile experimental apparatus combining attosecond pulse generation in gases with state of the art surface science techniques is designed, constructed, and commissioned. Employing this novel infrastructure and the technique of the attosecond transient recorder, we investigate transport phenomena occurring after photoexcitation of electrons in tungsten and rhenium single crystals and show that attosecond streaking is a unique method for resolving extremely fast electronic phenomena in solids. It is demonstrated that electrons originating from different energy levels, i.e. from the conduction band and the 4f core level, are emitted from the crystal surface at different times. The origin of this time delay, which is below 150 attoseconds for all studied systems, is investigated by a systematic variation of several experimental parameters, in particular the photon energy of the employed attosecond pulses. These experimental studies are complemented by theoretical studies of the group velocity of highly-excited electrons based on ab initio calculations. While the streaking technique applied on single crystals can provide only information about the relative time delay between two types of photoelectrons, the absolute transport time remains inaccessible. We introduce a scheme of a reference

Logistic Principles Application for Managing the Extraction and Transportation of Solid Minerals

Directory of Open Access Journals (Sweden)

Tyurin Alexey

2017-01-01

Full Text Available Reducing the cost of resources in solid mineral extraction is an urgent task. For its solution the article proposes logistic approach use to management of mining company all resources, including extraction processes, transport, mineral handling and storage. The account of the uneven operation of mining, transport units and complexes for processing and loading coal into railroad cars allows you to identify the shortcomings in the work of the entire enterprise and reduce resources use at the planned production level. In the article the mining planning model taking into account the dynamics of the production, transport stations and export coal to consumers rail transport on example of Krasnoyarsk region Nazarovo JSC «Razrez Sereul'skiy». Rolling planning methods use and data aggregation allows you to split the planning horizon (month on equal periods and to use of dynamic programming method for building mining optimal production programme for the month. Coal mining production program definition technique will help align the work of all enterprise units, to optimize resources of all areas, to establish a flexible relationship between manufacturer and consumer, to take into account the irregularity of rail transport.

Logistic Principles Application for Managing the Extraction and Transportation of Solid Minerals

Science.gov (United States)

Tyurin, Alexey

2017-11-01

Reducing the cost of resources in solid mineral extraction is an urgent task. For its solution the article proposes logistic approach use to management of mining company all resources, including extraction processes, transport, mineral handling and storage. The account of the uneven operation of mining, transport units and complexes for processing and loading coal into railroad cars allows you to identify the shortcomings in the work of the entire enterprise and reduce resources use at the planned production level. In the article the mining planning model taking into account the dynamics of the production, transport stations and export coal to consumers rail transport on example of Krasnoyarsk region Nazarovo JSC «Razrez Sereul'skiy». Rolling planning methods use and data aggregation allows you to split the planning horizon (month) on equal periods and to use of dynamic programming method for building mining optimal production programme for the month. Coal mining production program definition technique will help align the work of all enterprise units, to optimize resources of all areas, to establish a flexible relationship between manufacturer and consumer, to take into account the irregularity of rail transport.

Colour-rendition properties of solid-state lamps

Energy Technology Data Exchange (ETDEWEB)

Zukauskas, A [Institute of Applied Research, Vilnius University, Sauletekio al. 9, bldg. III, Vilnius, LT-10222 (Lithuania); Vaicekauskas, R [Department of Computer Science, Vilnius University, Naugarduko g. 24, Vilnius, LT-03225 (Lithuania); Shur, M S, E-mail: arturas.zukauskas@ff.vu.l [Department of Electrical, Computer, and System Engineering, Rensselaer Polytechnic Institute, 110 8th Street, Troy, NY 12180 (United States)

2010-09-08

The applicability of colour-quality metrics to solid-state light sources is validated and the results of the assessment of colour-rendition characteristics of various lamps are presented. The standard colour-rendering index metric or a refined colour-quality scale metric fails to distinguish between two principle colour-rendition properties of illumination: the ability to render object colours with high fidelity and the ability to increase chromatic contrast, especially when the spectra of light sources contain a few narrow-band electroluminescence components. Supplementing these metrics by the known figures of merit that measure the gamut area of a small number of test colour samples does not completely resolve this issue. In contrast, the statistical approach, which is based on sorting a very large number of test colour samples in respect of just-perceivable colour distortions of several kinds, offers a comprehensive assessment of colour-rendition properties of solid-state light sources. In particular, two statistical indices, colour-fidelity index (CFI) and colour-saturation index (CSI), which are the relative numbers of object colours rendered with high fidelity and increased saturation, respectively, are sufficient to reveal and assess three distinct types of solid-state light sources. These are (i) high-fidelity lamps, which cover the entire spectrum with the spectral components present in the wavelength ranges of both 530-610 nm and beyond 610 nm (e.g. trichromatic warm white phosphor-converted (pc) light-emitting diodes (LEDs), red-amber-green-blue LED clusters, complementary clusters of white and coloured LEDs); (ii) colour-saturating lamps, which lack power in the 530-610 nm wavelength range (e.g. red-green-blue or red-cyan-blue LED clusters) and (iii) colour-dulling lamps, which lack power for wavelengths longer than 610 nm (dichromatic daylight pc LEDs and amber-green-blue LED clusters). Owing to a single statistical format, CSI and CFI can be used for

Colour-rendition properties of solid-state lamps

International Nuclear Information System (INIS)

Zukauskas, A; Vaicekauskas, R; Shur, M S

2010-01-01

The applicability of colour-quality metrics to solid-state light sources is validated and the results of the assessment of colour-rendition characteristics of various lamps are presented. The standard colour-rendering index metric or a refined colour-quality scale metric fails to distinguish between two principle colour-rendition properties of illumination: the ability to render object colours with high fidelity and the ability to increase chromatic contrast, especially when the spectra of light sources contain a few narrow-band electroluminescence components. Supplementing these metrics by the known figures of merit that measure the gamut area of a small number of test colour samples does not completely resolve this issue. In contrast, the statistical approach, which is based on sorting a very large number of test colour samples in respect of just-perceivable colour distortions of several kinds, offers a comprehensive assessment of colour-rendition properties of solid-state light sources. In particular, two statistical indices, colour-fidelity index (CFI) and colour-saturation index (CSI), which are the relative numbers of object colours rendered with high fidelity and increased saturation, respectively, are sufficient to reveal and assess three distinct types of solid-state light sources. These are (i) high-fidelity lamps, which cover the entire spectrum with the spectral components present in the wavelength ranges of both 530-610 nm and beyond 610 nm (e.g. trichromatic warm white phosphor-converted (pc) light-emitting diodes (LEDs), red-amber-green-blue LED clusters, complementary clusters of white and coloured LEDs); (ii) colour-saturating lamps, which lack power in the 530-610 nm wavelength range (e.g. red-green-blue or red-cyan-blue LED clusters) and (iii) colour-dulling lamps, which lack power for wavelengths longer than 610 nm (dichromatic daylight pc LEDs and amber-green-blue LED clusters). Owing to a single statistical format, CSI and CFI can be used for

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

OpenAIRE

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

1997-01-01

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

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

OpenAIRE

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

1997-01-01

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

Advanced methods of solid oxide fuel cell modeling

CERN Document Server

Milewski, Jaroslaw; Santarelli, Massimo; Leone, Pierluigi

2011-01-01

Fuel cells are widely regarded as the future of the power and transportation industries. Intensive research in this area now requires new methods of fuel cell operation modeling and cell design. Typical mathematical models are based on the physical process description of fuel cells and require a detailed knowledge of the microscopic properties that govern both chemical and electrochemical reactions. ""Advanced Methods of Solid Oxide Fuel Cell Modeling"" proposes the alternative methodology of generalized artificial neural networks (ANN) solid oxide fuel cell (SOFC) modeling. ""Advanced Methods

In Situ Generated Colloid Transport of Cu and Zn in Reclaimed Mine Soil Profiles Associated with Bio solids Application

International Nuclear Information System (INIS)

Miller, J.O.; Karathanasis, A.D.; Matocha, C.J.

2011-01-01

Areas reclaimed for agricultural uses following coal mining often receive bio solids applications to increase organic matter and fertility. Transport of heavy metals within these soils may be enhanced by the additional presence of bio solids colloids. Intact monoliths from reclaimed and undisturbed soils in Virginia and Kentucky were leached to observe Cu and Zn mobility with and without bio solids application. Transport of Cu and Zn was observed in both solution and colloid associated phases in reclaimed and undisturbed forest soils, where the presence of unweathered spoil material and bio solids amendments contributed to higher metal release in solution fractions. Up to 81% of mobile Cu was associated with the colloid fraction, particularly when gabbiest was present, while only up to 18% of mobile Zn was associated with the colloid fraction. The colloid bound Cu was exchangeable by ammonium acetate, suggesting that it will release into groundwater resources.

In Situ Generated Colloid Transport of Cu and Zn in Reclaimed Mine Soil Profiles Associated with Bio solids Application

International Nuclear Information System (INIS)

Miller, J.O.; Karathanasis, A.D.; Matocha, C.J.

2011-01-01

Areas reclaimed for agricultural uses following coal mining often receive bio solids applications to increase organic matter and fertility. Transport of heavy metals within these soils may be enhanced by the additional presence of bio solids colloids. Intact monoliths from reclaimed and undisturbed soils in Virginia and Kentucky were leached to observe Cu and Zn mobility with and without bio solids application. Transport of Cu and Zn was observed in both solution and colloid associated phases in reclaimed and undisturbed forest soils, where the presence of unweathered spoil material and bio solids amendments contributed to higher metal release in solution fractions. Up to 81% of mobile Cu was associated with the colloid fraction, particularly when gibbsite was present, while only up to 18% of mobile Zn was associated with the colloid fraction. The colloid bound Cu was exchangeable by ammonium acetate, suggesting that it will release into groundwater resources.

Deposition of hole-transport materials in solid-state dye-sensitized solar cells by doctor-blading

KAUST Repository

Ding, I-Kang; Melas-Kyriazi, John; Cevey-Ha, Ngoc-Le; Chittibabu, Kethinni G.; Zakeeruddin, Shaik M.; Grä tzel, Michael; McGehee, Michael D.

2010-01-01

We report using doctor-blading to replace conventional spin coating for the deposition of the hole-transport material spiro-OMeTAD (2,20,7,70-tetrakis-(N, N-di-p-methoxyphenylamine)- 9,90-spirobifluorene) in solid-state dye-sensitized solar cells

Thermodynamic and transport properties of sodium liquid and vapor

International Nuclear Information System (INIS)

Fink, J.K.; Leibowitz, L.

1995-01-01

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

Proceedings of the solid state physics symposium. Vol. 34C

International Nuclear Information System (INIS)

1991-12-01

This volume contains the proceedings of the Solid State Physics Symposium held at Varanasi during December 21 to 24, 1991. The topics discussed in the symposium were : (a) Phonon physics, (b) Electron states and electronic properties, (c) Magnetism and magnetic properties, (d) Semiconductor physics, (e) Physics of defects and disordered materials, (f) Transport properties, (g) Superconductivity and superfluidity, (h) Liquid crystals and plastic crystals, (i) Phase transitions and critical phenomena, (j) Surface and interface physics, (k) Non-linear dynamics, instabilities and chaos, (l) Resonance studies and relaxation phenomena, (m) Solid state devices, techniques and instrumentation. Three seminars on topics : (i) High T c superconductors, (ii) Soft matter, and (iii) Physics and technology of interfaces were also held during the symposium. (M.K.V.N.)

Prediction of transport and other physical properties of fluids

CERN Document Server

Bretsznajder, S

1971-01-01

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

Electronic contributions to the transport properties and specific heat of solid UO2: an empirical, self-consistent analysis

International Nuclear Information System (INIS)

Hyland, G.J.; Ralph, J.

1982-07-01

From an empirical, self-consistent analysis of new high temperature data on the thermo-electric Seebeck coefficient and d.c. electrical conductivity, the value of the free energy controlling the equilibrium of the thermally induced reaction, 2U 4+ reversible U 3+ + U 5+ is determined (treating the U 3+ and U 5+ as small polarons) and used to calculate the contribution of the process to the high temperature thermal conductivity and specific heat of UO 2 . It is found that the transport properties can be completely accounted for in this way, but not the anomalous rise in specific heat - the origin of which remains obscure. (U.K.)

Ultrasonic detection of solid phase mass flow ratio of pneumatic conveying fly ash

Science.gov (United States)

Duan, Guang Bin; Pan, Hong Li; Wang, Yong; Liu, Zong Ming

2014-04-01

In this paper, ultrasonic attenuation detection and weight balance are adopted to evaluate the solid mass ratio in this paper. Fly ash is transported on the up extraction fluidization pneumatic conveying workbench. In the ultrasonic test. McClements model and Bouguer-Lambert-Beer law model were applied to formulate the ultrasonic attenuation properties of gas-solid flow, which can give the solid mass ratio. While in the method of weigh balance, the averaged mass addition per second can reveal the solids mass flow ratio. By contrast these two solid phase mass ratio detection methods, we can know, the relative error is less.

Thermoelectric and Transport Properties of N-Type Bi{sub 2−x}Sb{sub x}Te{sub 3−y}Se{sub y} Solid Solutions

Energy Technology Data Exchange (ETDEWEB)

Eum, A-Young; Kim, Il-Ho [Korea National University of Transportation, Chungju (Korea, Republic of)

2017-03-15

Bi{sub 2−x}Sb{sub x}Te{sub 3−y}Se{sub y} (x = 0.1, 0.2 and y = 0.15, 0.3) solid solutions were prepared using encapsulated melting and hot pressing. The lattice constants decreased with increases in the Sb and the Se contents, which revealed the successful formation of solid solutions. The relative densities of the hot-pressed specimens were 95 - 98%. All specimens exhibited n-type conduction at temperatures from 323 K to 523 K, and the electrical conductivity slightly decreased with increasing temperature. With an increase in the Se content, the Seebeck coefficient increased while the electrical and the thermal conductivities decreased; thus, the dimensionless figure of merit could be improved. The maximum dimensionless figure of merit ZT{sub max} = 0.89 was obtained at 423 K for Bi{sub 1.8}Sb{sub 0.2}Te{sub 2.7}Se{sub 0.3}. An increase in the Sb content resulted in a decrease in the lattice thermal conductivity because of an increase in alloy scattering, but its effect on the electrical properties was not superior to the effect of Se substitution. Therefore, Sb substitution could effectively control the thermal properties while Se substitution could effectively control the electrical properties.

Interaction of Degradation, Deformation and Transport Processes in Municipal Solid Waste Landfills

OpenAIRE

Bente, Sonja

2010-01-01

In this thesis a model for the complex interactions between deformation, degradation and transport processe in municipal solid waste landfills is presented. Key aspects of the model are a joint continuum mechanical framework and a monolithic solution of the governing equations within the Theory of Porous Media. Interactions are considered by coupling the governing physical fields over the domain of a representative elementary volume via selected state variables. A simplified two-stage degrada...

EquilTheTA: Thermodynamic and transport properties of complex equilibrium plasmas

International Nuclear Information System (INIS)

Colonna, G.; D'Angola, A.

2012-01-01

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

Physical properties of organic fullerene cocrystals

Science.gov (United States)

Macovez, Roberto

2017-12-01

The basic facts and fundamental properties of binary fullerene cocrystals are reviewed, focusing especially on solvates and salts of Buckminsterfullerene (C60), and hydrates of hydrophilic C60 derivatives. The examined properties include the lattice structure and the presence of orientational disorder and/or rotational dynamics (of both fullerenes and cocrystallizing moieties), thermodynamic properties such as decomposition enthalpies, and charge transport properties. Both thermodynamic properties and molecular orientational disorder shed light on the extent of intermolecular interactions in these binary solid-state systems. Comparison is carried out also with pristine fullerite and with the solid phases of functionalized C60. Interesting experimental findings on binary fullerene cocrystals include the simultaneous occurrence of rotations of both constituent molecular species, crystal morphologies reminiscent of quasi-crystalline behaviour, the observation of proton conduction in hydrate solids of hydrophilic fullerene derivatives, and the production of super-hard carbon materials by application of high pressures on solvated fullerene crystals.

A model problem concerning ionic transport in microstructured solid electrolytes

Science.gov (United States)

Curto Sillamoni, Ignacio J.; Idiart, Martín I.

2015-11-01

We consider ionic transport by diffusion and migration through microstructured solid electrolytes. The assumed constitutive relations for the constituent phases follow from convex energy and dissipation potentials which guarantee thermodynamic consistency. The effective response is determined by homogenizing the relevant field equations via the notion ofmulti-scale convergence. The resulting homogenized response involves several effective tensors, but they all require the solution of just one standard conductivity problem over the representative volume element. A multi-scale model for semicrystalline polymer electrolytes with spherulitic morphologies is derived by applying the theory to a specific class of two-dimensional microgeometries for which the effective response can be computed exactly. An enriched model accounting for a random dispersion of filler particles with interphases is also derived. In both cases, explicit expressions for the effective material parameters are provided. The models are used to explore the effect of crystallinity and filler content on the overall response. Predictions support recent experimental observations on doped poly-ethylene-oxide systems which suggest that the anisotropic crystalline phase can actually support faster ion transport than the amorphous phase along certain directions dictated by the morphology of the polymeric chains. Predictions also support the viewpoint that ceramic fillers improve ionic conductivity and cation transport number via interphasial effects.

Density functional theory calculations of charge transport properties ...

Indian Academy of Sciences (India)

ZIRAN CHEN

2017-08-04

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

Application of gamma-ray absorptiometry in the hydraulic transport of solids

International Nuclear Information System (INIS)

Fanger, H.U.; Michaelis, W.; Pepelnik, R.; The, H.L.

1978-01-01

The paper describes the development and application of advanced γ-ray absorptiometry techniques that may successfully be applied for the non-contact determination of medium density, local space concentrations, particle drift speeds and mass flows in transport systems. This improves the accuracy of density analysis and allows the measurement of the individual solid fraction contents in three-component flows, such as coal and rock or sediment and brine in water. Likewise, solid-air-water mixtures in air-lift systems may be analysed. Sufficient differences in the attenuation coefficients (i.e. mass density and/or chemical Z number) are requisites of this technique. The chemical composition of the components should be constant, more or less, and has to be known. The particle size does not affect the measurement up to a critical value which depends strongly on the material composition and the γ-ray energies used. For measuring the mean drift velocity of particles, a γ-ray transmission device with two equivalent radioactive sources and detectors is utilized. Both gamma-ray gates are arranged in a properly chosen distance, one after the other in the direction of flow. By using cross-correlation analysis, phase shift and mean velocity can be deduced from the dc-current modulations at the detector outputs. At the same time this measuring principle delivers the mean particle size and the size distribution in conveyor flows. Combination of space concentration and drift velocity yields the mass transport per unit time. (HP) [de

Charge Transport Processes in Molecular Junctions

Science.gov (United States)

Smith, Christopher Eugene

Molecular electronics (ME) has evolved into a rich area of exploration that combines the fields of chemistry, materials, electronic engineering and computational modeling to explore the physics behind electronic conduction at the molecular level. Through studying charge transport properties of single molecules and nanoscale molecular materials the field has gained the potential to bring about new avenues for the miniaturization of electrical components where quantum phenomena are utilized to achieve solid state molecular device functionality. Molecular junctions are platforms that enable these studies and consist of a single molecule or a small group of molecules directly connected to electrodes. The work presented in this thesis has built upon the current understanding of the mechanisms of charge transport in ordered junctions using self-assembled monolayer (SAM) molecular thin films. Donor and acceptor compounds were synthesized and incorporated into SAMs grown on metal substrates then the transport properties were measured with conducting probe atomic force microscopy (CP-AFM). In addition to experimentally measured current-voltage (I-V) curves, the transport properties were addressed computationally and modeled theoretically. The key objectives of this project were to 1) investigate the impact of molecular structure on hole and electron charge transport, 2) understand the nature of the charge carriers and their structure-transport properties through long (chemically gated to modulate the transport. These results help advance our understanding of transport behavior in semiconducting molecular thin films, and open opportunities to engineer improved electronic functionality into molecular devices.

Transport properties and specific heat of UTe and USb

International Nuclear Information System (INIS)

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

1994-01-01

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

The Effects of Solid Phase Additives on Sintering Properties of Alumina Bioceramic

Institute of Scientific and Technical Information of China (English)

WANG Xin-yu; LI Shi-pu; HE Jian-hua; JIANG Xin; LI Jian-hua

2003-01-01

In order to reduce the sintering temperature and improve the preparing conditions of alumina bioceramics,the Mg-Zr-Y composite solid phase additives were added into high purity Al2O3 micro-powder by chemical coprecipitation method.The powder was shaped under 200MPa cold isostatic pressure,and then the biscuits were sintered at 1600℃ under normal pressure.The sintered alumina materials were tested and the sintering mechanism was discussed.The results show that physical properties of the material were improved comparatively.The Mg-Zr-Y composite solid additives could promote the sintering of alumina bioceramics and the mechanism is solid phase sintering.

Theory of normal and superconducting properties of fullerene-based solids

International Nuclear Information System (INIS)

Cohen, M.L.

1992-10-01

Recent experiments on the normal-state and superconducting properties of fullerene-based solids are used to constrain the proposal theories of the electronic nature of these materials. In general, models of superconductivity based on electron pairing induced by phonons are consistent with electronic band theory. The latter experiments also yield estimates of the parameters characterizing these type H superconductors. It is argued that, at this point, a ''standard model'' of phonons interacting with itinerant electrons may be a good first approximation for explaining the properties of the metallic fullerenes

Tribological properties of solid lubricants filled glass fiber reinforced polyamide 6 composites

International Nuclear Information System (INIS)

Li, Du-Xin; You, Yi-Lan; Deng, Xin; Li, Wen-Juan; Xie, Ying

2013-01-01

Highlights: ► The tribological properties of GF/PA6 improved by the incorporation of PTFE. ► PTFE and UHMWPE exhibited a synergism effect on reducing friction coefficient. ► Solid lubricants enlarged the range of applied velocity for GF/PA6 composite. - Abstract: The main purpose of this paper is to further optimize the tribological properties of the glass fiber reinforced PA6 (GF/PA6,15/85 by weight) for high performance friction materials using single or combinative solid lubricants such as Polytetrafluroethylene (PTFE), ultra-high molecular weight polyethylene (UHMWPE) and the combination of both of them. Various polymer blends, where GF/PA6 acts as the polymer matrix and solid lubricants as the dispersed phase were prepared by injection molding. The tribological properties of these materials and the synergism as a result of the incorporation of both PTFE and UHMWPE were investigated. The results showed that, at a load of 40 N and a velocity of 200 rpm, PTFE was effective in improving the tribological capabilities of matrix material. On the contrary, UHMWPE was not conductive to maintain the structure integrity of GF/PA6 composite and harmful to the friction and wear properties. The combination of PTFE and UHMWPE showed synergism on further reducing the friction coefficient of the composites filled with either PTFE or UHMWPE only. Effects of load and velocity on tribological behavior were also discussed. To further understand the wear mechanism, the worn surfaces were examined by scanning electron microscopy

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

International Nuclear Information System (INIS)

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

2012-01-01

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

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

DEFF Research Database (Denmark)

Poulsen, Tjalfe

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

Synthesis, magnetic and transport properties of oxygen-free CrN ceramics

Czech Academy of Sciences Publication Activity Database

Jankovský, O.; Sedmidubský, D.; Huber, Štěpán; Šimek, P.; Šofer, Z.

2014-01-01

Roč. 34, č. 16 (2014), s. 4131-4136 ISSN 0955-2219 R&D Projects: GA ČR GA13-20507S Institutional support: RVO:68378271 Keywords : chromium nitride * nitride ceramics * magnetotransport properties * thermoelectric properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.947, year: 2014

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

International Nuclear Information System (INIS)

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

1994-01-01

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

Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

Energy Technology Data Exchange (ETDEWEB)

De Julian Fernandez, C; Novak, R L; Bogani, L; Caneschi, A [INSTM RU at the Department of Chemistry of the University of Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino (Italy); Mattei, G; Mazzoldi, P [Department of Physics, CNISM and University of Padova, via Marzolo 8, 35131 Padova (Italy); Paz, E; Palomares, F J [Instituto de Ciencia de Materiales de Madrid (CSIC), Cantoblanco, 28049 Madrid (Spain); Cavigli, L, E-mail: cesar.dejulian@unifi.it [Department of Physics-LENS, University of Florence, via Sansone 1, 50019 Sesto Fiorentino (Italy)

2010-04-23

Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO{sub 2} matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

International Nuclear Information System (INIS)

De Julian Fernandez, C; Novak, R L; Bogani, L; Caneschi, A; Mattei, G; Mazzoldi, P; Paz, E; Palomares, F J; Cavigli, L

2010-01-01

Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO 2 matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

Science.gov (United States)

de Julián Fernández, C.; Mattei, G.; Paz, E.; Novak, R. L.; Cavigli, L.; Bogani, L.; Palomares, F. J.; Mazzoldi, P.; Caneschi, A.

2010-04-01

Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO2 matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

Thermophysical properties of stainless steels

International Nuclear Information System (INIS)

Kim, C.S.

1975-09-01

Recommended values of the thermodynamic and transport properties of stainless steels Type 304L and Type 316L are given for temperatures from 300 to 3000 0 K. The properties in the solid region were obtained by extrapolating available experimental data to the melting range, while appropriate correlations were used to estimate the properties in the liquid region. The properties evaluated include the enthalpy, entropy, specific heat, vapor pressure, density, thermal expansion coefficient, thermal conductivity, thermal diffusivity, and viscosity. (9 fig, 11 tables)

Space Geodesy Monitoring Mass Transport in Global Geophysical Fluids

Science.gov (United States)

Chao, Benjamin F.

2004-01-01

Mass transports occurring in the atmosphere-hydrosphere-cryosphere-solid Earth-core system (the 'global geophysical fluids') are important geophysical phenomena. They occur on all temporal and spatial scales. Examples include air mass and ocean circulations, oceanic and solid tides, hydrological water and idsnow redistribution, mantle processes such as post-glacial rebound, earthquakes and tectonic motions, and core geodynamo activities. The temporal history and spatial pattern of such mass transport are often not amenable to direct observations. Space geodesy techniques, however, have proven to be an effective tool in monitorihg certain direct consequences of the mass transport, including Earth's rotation variations, gravitational field variations, and the geocenter motion. Considerable advances have been made in recent years in observing and understanding of these geodynamic effects. This paper will use several prominent examples to illustrate the triumphs in research over the past years under a 'Moore's law' in space geodesy. New space missions and projects promise to further advance our knowledge about the global mass transports. The latter contributes to our understanding of the geophysical processes that produce and regulate the mass transports, as well as of the solid Earth's response to such changes in terms of Earth's mechanical properties.

Asymmetric ion transport through ion-channel-mimetic solid-state nanopores.

Science.gov (United States)

Guo, Wei; Tian, Ye; Jiang, Lei

2013-12-17

Both scientists and engineers are interested in the design and fabrication of synthetic nanofluidic architectures that mimic the gating functions of biological ion channels. The effort to build such structures requires interdisciplinary efforts at the intersection of chemistry, materials science, and nanotechnology. Biological ion channels and synthetic nanofluidic devices have some structural and chemical similarities, and therefore, they share some common features in regulating the traverse ionic flow. In the past decade, researchers have identified two asymmetric ion transport phenomena in synthetic nanofluidic structures, the rectified ionic current and the net diffusion current. The rectified ionic current is a diode-like current-voltage response that occurs when switching the voltage bias. This phenomenon indicates a preferential direction of transport in the nanofluidic system. The net diffusion current occurs as a direct product of charge selectivity and is generated from the asymmetric diffusion through charged nanofluidic channels. These new ion transport phenomena and the elaborate structures that occur in biology have inspired us to build functional nanofluidic devices for both fundamental research and practical applications. In this Account, we review our recent progress in the design and fabrication of biomimetic solid-state nanofluidic devices with asymmetric ion transport behavior. We demonstrate the origin of the rectified ionic current and the net diffusion current. We also identify several influential factors and discuss how to build these asymmetric features into nanofluidic systems by controlling (1) nanopore geometry, (2) surface charge distribution, (3) chemical composition, (4) channel wall wettability, (5) environmental pH, (6) electrolyte concentration gradient, and (7) ion mobility. In the case of the first four features, we build these asymmetric features directly into the nanofluidic structures. With the final three, we construct

Fully Relativistic Temperature-Dependent Electronic Transport Properties of Magnetic Alloys From the First Principles.

Czech Academy of Sciences Publication Activity Database

Wagenknecht, David; Carva, K.; Turek, Ilja

2017-01-01

Roč. 53, č. 11 (2017), č. článku 1700205. ISSN 0018-9464 R&D Projects: GA ČR GA15-13436S Institutional support: RVO:68081723 Keywords : electronic transport * magnetic alloys * ab initio theory Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.243, year: 2016

Gas-Solid Reaction Properties of Fluorine Compounds and Solid Adsorbents for Off-Gas Treatment from Semiconductor Facility

Directory of Open Access Journals (Sweden)

Shinji Yasui

2012-01-01

Full Text Available We have been developing a new dry-type off-gas treatment system for recycling fluorine from perfluoro compounds present in off-gases from the semiconductor industry. The feature of this system is to adsorb the fluorine compounds in the exhaust gases from the decomposition furnace by using two types of solid adsorbents: the calcium carbonate in the upper layer adsorbs HF and converts it to CaF2, and the sodium bicarbonate in the lower layer adsorbs HF and SiF4 and converts them to Na2SiF6. This paper describes the fluorine compound adsorption properties of both the solid adsorbents—calcium carbonate and the sodium compound—for the optimal design of the fixation furnace. An analysis of the gas-solid reaction rate was performed from the experimental results of the breakthrough curve by using a fixed-bed reaction model, and the reaction rate constants and adsorption capacity were obtained for achieving an optimal process design.

Computer program for calculating thermodynamic and transport properties of fluids

Science.gov (United States)

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

1975-01-01

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

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 Van Der Waals Hybrid Heterostructures.

Science.gov (United States)

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

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

Molecular electronics with single molecules in solid-state devices.

Science.gov (United States)

Moth-Poulsen, Kasper; Bjørnholm, Thomas

2009-09-01

The ultimate aim of molecular electronics is to understand and master single-molecule devices. Based on the latest results on electron transport in single molecules in solid-state devices, we focus here on new insights into the influence of metal electrodes on the energy spectrum of the molecule, and on how the electron transport properties of the molecule depend on the strength of the electronic coupling between it and the electrodes. A variety of phenomena are observed depending on whether this coupling is weak, intermediate or strong.

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

International Nuclear Information System (INIS)

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

2015-01-01

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

Transport properties of a discrete helical electrostatic quadrupole

International Nuclear Information System (INIS)

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

1991-01-01

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

Investigation of transport properties of colossal magnetoresistive materials

International Nuclear Information System (INIS)

Kaurav, Netram

2006-01-01

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

Transport processes in partially saturate concrete: Testing and liquid properties

Science.gov (United States)

Villani, Chiara

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

Thermochemical Stability and Friction Properties of Soft Organosilica Networks for Solid Lubrication

Directory of Open Access Journals (Sweden)

Pablo Gonzalez Rodriguez

2018-01-01

Full Text Available In view of their possible application as high temperature solid lubricants, the tribological and thermochemical properties of several organosilica networks were investigated over a range of temperatures between 25 and 580 °C. Organosilica networks, obtained from monomers with terminal and bridging organic groups, were synthesized by a sol-gel process. The influence of carbon content, crosslink density, rotational freedom of incorporated hydrocarbon groups, and network connectivity on the high temperature friction properties of the polymer was studied for condensed materials from silicon alkoxide precursors with terminating organic groups, i.e., methyltrimethoxysilane, propyltrimethoxysilane, diisopropyldimethoxysilane, cyclohexyltrimethoxysilane, phenyltrimethoxysilane and 4-biphenylyltriethoxysilane networks, as well as precursors with organic bridging groups between Si centers, i.e., 1,4-bis(triethoxysilylbenzene and 4,4′-bis(triethoxysilyl-1,1′-biphenyl. Pin-on-disc measurements were performed using all selected solid lubricants. It was found that materials obtained from phenyltrimethoxysilane and cyclohexyltrimethoxysilane precursors showed softening above 120 °C and performed best in terms of friction reduction, reaching friction coefficients as low as 0.01. This value is lower than that of graphite films (0.050 ± 0.005, a common bench mark for solid lubricants.

Structure and transport properties of nanostructured materials.

Science.gov (United States)

Sonwane, C G; Li, Q

2005-03-31

In the present manuscript, we have presented the simulation of nanoporous aluminum oxide using a molecular-dynamics approach with recently developed dynamic charge transfer potential using serial/parallel programming techniques (Streitz and Mintmire Phys. Rev. B 1994, 50, 11996). The structures resembling recently invented ordered nanoporous crystalline material, MCM-41/SBA-15 (Kresge et al. Nature 1992, 359, 710), and inverted porous solids (hollow nanospheres) with up to 10 000 atoms were fabricated and studied in the present work. These materials have been used for separation of gases and catalysis. On several occasions including the design of the reactor, the knowledge of surface diffusion is necessary. In the present work, a new method for estimating surface transport of gases based on a hybrid Monte Carlo method with unbiased random walk of tracer atom on the pore surface has been introduced. The nonoverlapping packings used in the present work were fabricated using an algorithm of very slowly settling rigid spheres from a dilute suspension into a randomly packed bed. The algorithm was modified to obtain unimodal, homogeneous Gaussian and segregated bimodal porous solids. The porosity of these solids was varied by densification using an arbitrary function or by coarsening from a highly densified pellet. The surface tortuosity for the densified solids indicated an inverted bell shape curve consistent with the fact that at very high porosities there is a reduction in the connectivity while at low porosities the pores become inaccessible or dead-end. The first passage time distribution approach was found to be more efficient in terms of computation time (fewer tracer atoms needed for the linearity of Einstein's plot). Results by hybrid discrete-continuum simulations were close to the discrete simulations for a boundary layer thickness of 5lambda.

Studies on electronic properties of solids in Japan. Traces toward microscopic world

International Nuclear Information System (INIS)

Ishiguro, Takehiko

2005-01-01

Properties of solids are determined by the microscopic structure where quantum mechanics stands. Throughout the 20th century physicists have made progress in developing the methods to explore the microscopic world of materials. In the latter half of the 20th century, starting with catching-up modes, Japanese solid-state physicists have been at some leading edges in the last decade. Trace towards the frontiers are briefly reviewed placing emphasis upon the material development and the investigation, and ways to go are mentioned. (author)

Liquid-like thermal conduction in intercalated layered crystalline solids

Science.gov (United States)

Li, B.; Wang, H.; Kawakita, Y.; Zhang, Q.; Feygenson, M.; Yu, H. L.; Wu, D.; Ohara, K.; Kikuchi, T.; Shibata, K.; Yamada, T.; Ning, X. K.; Chen, Y.; He, J. Q.; Vaknin, D.; Wu, R. Q.; Nakajima, K.; Kanatzidis, M. G.

2018-03-01

As a generic property, all substances transfer heat through microscopic collisions of constituent particles1. A solid conducts heat through both transverse and longitudinal acoustic phonons, but a liquid employs only longitudinal vibrations2,3. As a result, a solid is usually thermally more conductive than a liquid. In canonical viewpoints, such a difference also serves as the dynamic signature distinguishing a solid from a liquid. Here, we report liquid-like thermal conduction observed in the crystalline AgCrSe2. The transverse acoustic phonons are completely suppressed by the ultrafast dynamic disorder while the longitudinal acoustic phonons are strongly scattered but survive, and are thus responsible for the intrinsically ultralow thermal conductivity. This scenario is applicable to a wide variety of layered compounds with heavy intercalants in the van der Waals gaps, manifesting a broad implication on suppressing thermal conduction. These microscopic insights might reshape the fundamental understanding on thermal transport properties of matter and open up a general opportunity to optimize performances of thermoelectrics.

Bio solids Application on Banana Production: Soil Chemical Properties and Plant Nutrition

International Nuclear Information System (INIS)

Teixeira, L.A.J; Berton, R.S.B; Coscione, A.R; Saes, L.A

2011-01-01

Bio solids are relatively rich in N, P, and S and could be used to substitute mineral fertilization for banana crop. A field experiment was carried out in a Yellow Oxisol to investigate the effects of bio solids application on soil chemical properties and on banana leaf's nutrient concentration during the first cropping cycle. Soil analysis (ph, organic matter, resin P, exchangeable Ca and K, available B, DTPA-extracted micro nutrients, and heavy metals) and index-leaf analysis (B, Cu, Fe, Mn, Zn, Cd, Cr, Ni, and Pb) were evaluated. Bio solids can completely substitute mineral N and P fertilizer to banana growth. Soil exchangeable K and leaf-K concentration must be monitored in order to avoid K deficiency in banana plants. No risk of heavy metal (Cr, Ni, Pb, and Cd) concentration increase in the index leaf was observed when bio solids were applied at the recommended N rate.

First-Principles Calculations of Electronic, Optical, and Transport Properties of Materials for Energy Applications

Science.gov (United States)

Shi, Guangsha

Solar electricity is a reliable and environmentally friendly method of sustainable energy production and a realistic alternative to conventional fossil fuels. Moreover, thermoelectric energy conversion is a promising technology for solid-state refrigeration and efficient waste-heat recovery. Predicting and optimizing new photovoltaic and thermoelectric materials composed of Earth-abundant elements that exceed the current state of the art, and understanding how nanoscale structuring and ordering improves their energy conversion efficiency pose a challenge for materials scientists. I approach this challenge by developing and applying predictive high-performance computing methods to guide research and development of new materials for energy-conversion applications. Advances in computer-simulation algorithms and high-performance computing resources promise to speed up the development of new compounds with desirable properties and significantly shorten the time delay between the discovery of new materials and their commercial deployment. I present my calculated results on the extraordinary properties of nanostructured semiconductor materials, including strong visible-light absorbance in nanoporous silicon and few-layer SnSe and GeSe. These findings highlight the capability of nanoscale structuring and ordering to improve the performance of Earth-abundant materials compared to their bulk counterparts for solar-cell applications. I also successfully identified the dominant mechanisms contributing to free-carrier absorption in n-type silicon. My findings help evaluate the impact of the energy loss from this absorption mechanism in doped silicon and are thus important for the design of silicon solar cells. In addition, I calculated the thermoelectric transport properties of p-type SnSe, a bulk material with a record thermoelectric figure of merit. I predicted the optimal temperatures and free-carrier concentrations for thermoelectric energy conversion, as well the

Development of the plastic solid-dye cell for tunable solid-state dye lasers and study on its optical properties

Energy Technology Data Exchange (ETDEWEB)

Ko, Do Kyeong; Lee, Jong Min; Cha, Byung Heon; Yi, Jong Hoon; Lee, Kang Soo; Kim, Sung Ho; Lim, Gwon

2000-01-01

We have fabricated solid-state dyes with Copolex NK-55, which is the base element of plastic lens, and PMMA. We have measured the longevity of solid-state dyes doped in both polymers and found that PMMA has better properties than Coploex NK-55. We have realized the tuning range of 560-620 nm by doping rhodamine 6Gand rhodamin B in the manufactured solid-state dye laser oscillators. In the standing-wave cavity we achieved the slop efficiency of 10.8 percent and in the grazing incidence cavity, 1.2 percent. We have constructed a very compact grazing- incidence cavity which is only 6 cm long and the linewidth of the laser was less than 1.5 GHz with 3-ns pulse duration. And we have fabricated disk-type solid-state dye cell and installed it in the cavity in which the dye cell can be translated and rotated with the help of the two steeping motors. By this we could constantly changed the illuminated area of the dye cell and , therefore, were able to achieve long time operation and to use almost the entire region of the solid-state dye cell. (author)

Development of the plastic solid-dye cell for tunable solid-state dye lasers and study on its optical properties

International Nuclear Information System (INIS)

Ko, Do Kyeong; Lee, Jong Min; Cha, Byung Heon; Yi, Jong Hoon; Lee, Kang Soo; Kim, Sung Ho; Lim, Gwon

2000-01-01

We have fabricated solid-state dyes with Copolex NK-55, which is the base element of plastic lens, and PMMA. We have measured the longevity of solid-state dyes doped in both polymers and found that PMMA has better properties than Coploex NK-55. We have realized the tuning range of 560-620 nm by doping rhodamine 6G and rhodamin B in the manufactured solid-state dye laser oscillators. In the standing-wave cavity we achieved the slop efficiency of 10.8 percent and in the grazing incidence cavity, 1.2 percent. We have constructed a very compact grazing- incidence cavity which is only 6 cm long and the linewidth of the laser was less than 1.5 GHz with 3-ns pulse duration. And we have fabricated disk-type solid-state dye cell and installed it in the cavity in which the dye cell can be translated and rotated with the help of the two steeping motors. By this we could constantly changed the illuminated area of the dye cell and , therefore, were able to achieve long time operation and to use almost the entire region of the solid-state dye cell. (author)

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.

Determination of the mechanical properties of solid and cellular polymeric dosage forms by diametral compression.

Science.gov (United States)

Blaesi, Aron H; Saka, Nannaji

2016-07-25

At present, the immediate-release solid dosage forms, such as the oral tablets and capsules, are granular solids. They release drug rapidly and have adequate mechanical properties, but their manufacture is fraught with difficulties inherent in processing particulate matter. Such difficulties, however, could be overcome by liquid-based processing. Therefore, we have recently introduced polymeric cellular (i.e., highly porous) dosage forms prepared from a melt process. Experiments have shown that upon immersion in a dissolution medium, the cellular dosage forms with polyethylene glycol (PEG) as excipient and with predominantly open-cell topology disintegrate by exfoliation, thus enabling rapid drug release. If the volume fraction of voids of the open-cell structures is too large, however, their mechanical strength is adversely affected. At present, the common method for determining the tensile strength of brittle, solid dosage forms (such as select granular forms) is the diametral compression test. In this study, the theory of diametral compression is first refined to demonstrate that the relevant mechanical properties of ductile and cellular solids (i.e., the elastic modulus and the yield strength) can also be extracted from this test. Diametral compression experiments are then conducted on PEG-based solid and cellular dosage forms. It is found that the elastic modulus and yield strength of the open-cell structures are about an order of magnitude smaller than those of the non-porous solids, but still are substantially greater than the stiffness and strength requirements for handling the dosage forms manually. This work thus demonstrates that melt-processed polymeric cellular dosage forms that release drug rapidly can be designed and manufactured to have adequate mechanical properties. Copyright © 2016. Published by Elsevier B.V.

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

Science.gov (United States)

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

2011-03-01

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

Anisotropic intermolecular interactions and rotational ordering in hydrogen containing solids. Final report, January 1, 1972--June 30, 1978

International Nuclear Information System (INIS)

White, D.

1978-01-01

Thermodynamic properties, order-disorder phenomena, optical, electric and magnetic properties of hydrogen-containing molecular solids have been investigated. A summary of the findings of this 6 year research program is presented here. The approach in these studies was (a) thermodynamic and transport studies extending to very low temperatures, (b) pulsed NMR studies for determination of structural parameters important to spin-lattice relaxation, and (c) pulsed laser studies for the investigation of excitations and energy transfer mechanisms in solids

Special symposium issue 2: proceedings of the ninth symposium on thermophysical properties

International Nuclear Information System (INIS)

Hanley, H.J.M.; Cezairliyan, A.

1986-01-01

The topics covered in this issue include transport properties of polyatomic gases; measurements of the critical properties of sulfur hexafluoride by laser interferometry; measurements of vapor-liquid coexistence curves and critical loci for refrigerant mixtures; a crossover description of the thermodynamic properties of fluids in the critical region; thermal diffusion in ionic systems; thermal transport behavior of van der Waals solids and liquids; a heating system for the investigation of thermophysical properties of metals; high-pressure and high-temperature thermophysical measurements on rhenium, tantalum, and tungsten; and the therodynamic properties of vanadium

Electrode property of single-walled carbon nanotubes in all-solid-state lithium ion battery using polymer electrolyte

International Nuclear Information System (INIS)

Sakamoto, Y.; Ishii, Y.; Kawasaki, S.

2016-01-01

Electrode properties of single-walled carbon nanotubes (SWCNTs) in an all-solid-state lithium ion battery were investigated using poly-ethylene oxide (PEO) solid electrolyte. Charge-discharge curves of SWCNTs in the solid electrolyte cell were successfully observed. It was found that PEO electrolyte decomposes on the surface of SWCNTs.

Electrode property of single-walled carbon nanotubes in all-solid-state lithium ion battery using polymer electrolyte

Energy Technology Data Exchange (ETDEWEB)

Sakamoto, Y.; Ishii, Y.; Kawasaki, S., E-mail: kawasaki.shinji@nitech.ac.jp [Nagoya Institute of Technology, Gokiso, Showa, Nagoya, Aichi (Japan)

2016-07-06

Electrode properties of single-walled carbon nanotubes (SWCNTs) in an all-solid-state lithium ion battery were investigated using poly-ethylene oxide (PEO) solid electrolyte. Charge-discharge curves of SWCNTs in the solid electrolyte cell were successfully observed. It was found that PEO electrolyte decomposes on the surface of SWCNTs.

Calculations of the transport properties within the PAW formalism

Energy Technology Data Exchange (ETDEWEB)

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

2010-07-01

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

Chemical transport reactions

CERN Document Server

Schäfer, Harald

2013-01-01

Chemical Transport Reactions focuses on the processes and reactions involved in the transport of solid or liquid substances to form vapor phase reaction products. The publication first offers information on experimental and theoretical principles and the transport of solid substances and its special applications. Discussions focus on calculation of the transport effect of heterogeneous equilibria for a gas motion between equilibrium spaces; transport effect and the thermodynamic quantities of the transport reaction; separation and purification of substances by means of material transport; and

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

Directory of Open Access Journals (Sweden)

Le Bescop P.

2013-07-01

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

Photoelectron transport in the surface region of solids: universal analytical formalism for quantitative applications of electron spectroscopies

International Nuclear Information System (INIS)

Jablonski, A

2015-01-01

An advanced analytical theory describing electron transport in the surface region of solids may have accuracy comparable to Monte Carlo simulations of electron trajectories, however such an approach requires knowledge of a parameter called the single scattering albedo. This parameter is material dependent and can be calculated from the elastic mean free path and transport mean free path for signal electrons. An attempt is made to derive a simple expression that accurately describes the energy dependence of single scattering albedo in a wide energy range from 50 eV to 30 keV for 78 elemental solids. For these solids and the considered energy range, the mean percentage deviations between the reference values and values calculated from the fitted function were found to be generally well below 1%; the largest value of this deviation was equal to 0.86% (europium). Calculation of the single scattering albedo with high accuracy requires only five fitted coefficients for a given element. Recommendations are also given for calculations of this parameter for compounds. Different predictive formulas expressed in terms of the single scattering albedo are briefly discussed. (paper)

Measurement of gas transport properties for chemical vapor infiltration

Energy Technology Data Exchange (ETDEWEB)

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

1996-12-01

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

Analysis of suspended solids transport processes in primary settling tanks.

Science.gov (United States)

Patziger, Miklós; Kiss, Katalin

2015-01-01

The paper shows the results of a long-term research comprising FLUENT-based numerical modeling, in situ measurements and laboratory tests to analyze suspended solids (SS) transport processes in primary settling tanks (PSTs). The investigated PST was one of the rectangular horizontal flow PSTs at a large municipal wastewater treatment plant (WWTP) of a capacity of 500,000 population equivalent. Many middle-sized and large WWTPs are equipped with such PSTs. The numerical PST model was calibrated and validated based on the results of comprehensive in situ flow and SS concentration measurements from low (5 m/h) up to quite high surface overflow rates of 9.5 and 13.0 m/h and on settling and other laboratory tests. The calibrated and validated PST model was also successfully used for evaluation of some slight modifications of the inlet geometry (removing lamellas, installing a flocculation 'box', shifting the inlet into a 'bottom-near' or into a 'high' position), which largely affect PST behavior and performance. The investigations provided detailed insight into the flow and SS transport processes within the investigated PST, which strongly contributes to hydrodynamically driven design and upgrading of PSTs.

Advancement in tritium transport simulations for solid breeding blanket system

Energy Technology Data Exchange (ETDEWEB)

Ying, Alice, E-mail: ying@fusion.ucla.edu [Mechanical and Aerospace Engineering Department, UCLA, Los Angeles, CA 90095 (United States); Zhang, Hongjie [Mechanical and Aerospace Engineering Department, UCLA, Los Angeles, CA 90095 (United States); Merrill, Brad J. [Idaho National Laboratory, Idaho Falls, ID 83415 (United States); Ahn, Mu-Young [National Fusion Research Institute, Daejeon (Korea, Republic of)

2016-11-01

In this paper, advancement on tritium transport simulations was demonstrated for a solid breeder blanket HCCR TBS, where multi-physics and detailed engineering descriptions are considered using a commercial simulation code. The physics involved includes compressible purge gas fluid flow, heat transfer, chemical reaction, isotope swamping effect, and tritium isotopes mass transport. The strategy adopted here is to develop numerical procedures and techniques that allow critical details of material, geometric and operational heterogeneity in a most complete engineering description of the TBS being incorporated into the simulation. Our application focuses on the transient assessment in view of ITER being pulsed operations. An immediate advantage is a more realistic predictive and design analysis tool accounting pulsed operations induced temperature variations which impact helium purge gas flow as well as Q{sub 2} composition concentration time and space evolutions in the breeding regions. This affords a more accurate prediction of tritium permeation into the He coolant by accounting correct temperature and partial pressure effects and realistic diffusion paths. The analysis also shows that by introducing by-pass line to accommodate ITER pulsed operations in the TES loop allows tritium extraction design being more cost effective.

Wentzel-Bardeen singularity in coupled Luttinger liquids: Transport properties

International Nuclear Information System (INIS)

Martin, T.

1994-01-01

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

Bioinspired Ultrastrong Solid Electrolytes with Fast Proton Conduction along 2D Channels.

Science.gov (United States)

He, Guangwei; Xu, Mingzhao; Zhao, Jing; Jiang, Shengtao; Wang, Shaofei; Li, Zhen; He, Xueyi; Huang, Tong; Cao, Moyuan; Wu, Hong; Guiver, Michael D; Jiang, Zhongyi

2017-07-01

Solid electrolytes have attracted much attention due to their great prospects in a number of energy- and environment-related applications including fuel cells. Fast ion transport and superior mechanical properties of solid electrolytes are both of critical significance for these devices to operate with high efficiency and long-term stability. To address a common tradeoff relationship between ionic conductivity and mechanical properties, electrolyte membranes with proton-conducting 2D channels and nacre-inspired architecture are reported. An unprecedented combination of high proton conductivity (326 mS cm -1 at 80 °C) and superior mechanical properties (tensile strength of 250 MPa) are achieved due to the integration of exceptionally continuous 2D channels and nacre-inspired brick-and-mortar architecture into one materials system. Moreover, the membrane exhibits higher power density than Nafion 212 membrane, but with a comparative weight of only ≈0.1, indicating potential savings in system weight and cost. Considering the extraordinary properties and independent tunability of ion conduction and mechanical properties, this bioinspired approach may pave the way for the design of next-generation high-performance solid electrolytes with nacre-like architecture. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Relaxation and transport properties of liquid n-triacontane

International Nuclear Information System (INIS)

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

2015-01-01

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

Transport properties in GaTe under hydrostatic pressure

International Nuclear Information System (INIS)

Gouskov, L.; Carvalho, M.

1980-01-01

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

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

Indian Academy of Sciences (India)

Unknown

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

Ab Initio Calculations of Transport Properties of Vanadium Oxides

Science.gov (United States)

Lamsal, Chiranjivi; Ravindra, N. M.

2018-04-01

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

Nanoscale thermal transport

Science.gov (United States)

Cahill, David G.; Ford, Wayne K.; Goodson, Kenneth E.; Mahan, Gerald D.; Majumdar, Arun; Maris, Humphrey J.; Merlin, Roberto; Phillpot, Simon R.

2003-01-01

Rapid progress in the synthesis and processing of materials with structure on nanometer length scales has created a demand for greater scientific understanding of thermal transport in nanoscale devices, individual nanostructures, and nanostructured materials. This review emphasizes developments in experiment, theory, and computation that have occurred in the past ten years and summarizes the present status of the field. Interfaces between materials become increasingly important on small length scales. The thermal conductance of many solid-solid interfaces have been studied experimentally but the range of observed interface properties is much smaller than predicted by simple theory. Classical molecular dynamics simulations are emerging as a powerful tool for calculations of thermal conductance and phonon scattering, and may provide for a lively interplay of experiment and theory in the near term. Fundamental issues remain concerning the correct definitions of temperature in nonequilibrium nanoscale systems. Modern Si microelectronics are now firmly in the nanoscale regime—experiments have demonstrated that the close proximity of interfaces and the extremely small volume of heat dissipation strongly modifies thermal transport, thereby aggravating problems of thermal management. Microelectronic devices are too large to yield to atomic-level simulation in the foreseeable future and, therefore, calculations of thermal transport must rely on solutions of the Boltzmann transport equation; microscopic phonon scattering rates needed for predictive models are, even for Si, poorly known. Low-dimensional nanostructures, such as carbon nanotubes, are predicted to have novel transport properties; the first quantitative experiments of the thermal conductivity of nanotubes have recently been achieved using microfabricated measurement systems. Nanoscale porosity decreases the permittivity of amorphous dielectrics but porosity also strongly decreases the thermal conductivity. The

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

Directory of Open Access Journals (Sweden)

Y. N. Wu

2017-09-01

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

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

Science.gov (United States)

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

2017-09-01

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

Transport of temperature-velocity covariance in gas-solid flow and its relation to the axial dispersion coefficient

Science.gov (United States)

Subramaniam, Shankar; Sun, Bo

2015-11-01

The presence of solid particles in a steady laminar flow generates velocity fluctuations with respect to the mean fluid velocity that are termed pseudo-turbulence. The level of these pseudo-turbulent velocity fluctuations has been characterized in statistically homogeneous fixed particle assemblies and freely evolving suspensions using particle-resolved direct numerical simulation (PR-DNS) by Mehrabadi et al. (JFM, 2015), and it is found to be a significant contribution to the total kinetic energy associated with the flow. The correlation of these velocity fluctuations with temperature (or a passive scalar) generates a flux term that appears in the transport equation for the average fluid temperature (or average scalar concentration). The magnitude of this transport of temperature-velocity covariance is quantified using PR-DNS of thermally fully developed flow past a statistically homogeneous fixed assembly of particles, and the budget of the average fluid temperature equation is presented. The relation of this transport term to the axial dispersion coefficient (Brenner, Phil. Trans. Roy. Soc. A, 1980) is established. The simulation results are then interpreted in the context of our understanding of axial dispersion in gas-solid flow. NSF CBET 1336941.

Magnetothermoelectric transport properties in phosphorene

Science.gov (United States)

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

2018-02-01

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

Impact of isotopic disorders on thermal transport properties of nanotubes and nanowires

Energy Technology Data Exchange (ETDEWEB)

Sun, Tao [State Key Laboratory for Turbulence and Complex Systems, Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871 (China); Kang, Wei [HEDPS, Center for Applied Physics and Technology, College of Engineering, Peking University, Beijing 100871 (China); Wang, Jianxiang, E-mail: jxwang@pku.edu.cn [State Key Laboratory for Turbulence and Complex Systems, Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871 (China); HEDPS, Center for Applied Physics and Technology, College of Engineering, Peking University, Beijing 100871 (China)

2015-01-21

We present a one-dimensional lattice model to describe thermal transport in isotopically doped nanotubes and nanowires. The thermal conductivities thus predicted, as a function of isotopic concentration, agree well with recent experiments and other simulations. Our results display that for any given concentration of isotopic atoms in a lattice without sharp atomic interfaces, the maximum thermal conductivity is attained when isotopic atoms are placed regularly with an equal space, whereas the minimum is achieved when they are randomly inserted with a uniform distribution. Non-uniformity of disorder can further tune the thermal conductivity between the two values. Moreover, the dependence of the thermal conductivity on the nanoscale feature size becomes weak at low temperature when disorder exists. In addition, when self-consistent thermal reservoirs are included to describe diffusive nanomaterials, the thermal conductivities predicted by our model are in line with the results of macroscopic theories with an interfacial effect. Our results suggest that the disorder provides an additional freedom to tune the thermal properties of nanomaterials in many technological applications including nanoelectronics, solid-state lighting, energy conservation, and conversion.

Impact of isotopic disorders on thermal transport properties of nanotubes and nanowires

International Nuclear Information System (INIS)

Sun, Tao; Kang, Wei; Wang, Jianxiang

2015-01-01

We present a one-dimensional lattice model to describe thermal transport in isotopically doped nanotubes and nanowires. The thermal conductivities thus predicted, as a function of isotopic concentration, agree well with recent experiments and other simulations. Our results display that for any given concentration of isotopic atoms in a lattice without sharp atomic interfaces, the maximum thermal conductivity is attained when isotopic atoms are placed regularly with an equal space, whereas the minimum is achieved when they are randomly inserted with a uniform distribution. Non-uniformity of disorder can further tune the thermal conductivity between the two values. Moreover, the dependence of the thermal conductivity on the nanoscale feature size becomes weak at low temperature when disorder exists. In addition, when self-consistent thermal reservoirs are included to describe diffusive nanomaterials, the thermal conductivities predicted by our model are in line with the results of macroscopic theories with an interfacial effect. Our results suggest that the disorder provides an additional freedom to tune the thermal properties of nanomaterials in many technological applications including nanoelectronics, solid-state lighting, energy conservation, and conversion

Transport properties of organic liquids

CERN Document Server

Latini, G; Passerini, G

2006-01-01

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

Nanometric solid solutions of the fluorite and perovskite type crystal structures: Synthesis and properties

Directory of Open Access Journals (Sweden)

Snežana Bošković

2012-09-01

Full Text Available In this paper a short review of our results on the synthesis of nanosized CeO2, CaMnO3 and BaCeO3 solid solutions are presented. The nanopowders were prepared by two innovative methods: self propagating room temperature synthesis (SPRT and modified glycine/nitrate procedure (MGNP. Different types of solid solutions with rare earth dopants in concentrations ranging from 0–0.25 mol% were synthesized. The reactions forming solid solutions were studied. In addition, the characteristics of prepared nanopowders, phenomena during sintering and the properties of sintered samples are discussed.

Experimental investigation of the effect of latex solid/water ratio on latex modified co-matrix mechanical properties

Directory of Open Access Journals (Sweden)

Ahmed M. Diab

2013-03-01

Full Text Available Numerous researches were performed on latex modified concretes and associated properties, however; some vital factors were not given attention in previous works. This study focus on new factor which significantly affects the properties of latex modified cement paste, mortar or concrete. This factor is termed as ‘latex solid/water ratio’ which is defined herein as the ratio of weight of solid latex to weight of total water content of cement composite including the water in latex itself. The effect of this factor on some properties of cement paste, mortar and concrete were experimentally evaluated. Properties of cement paste include the produced calcium hydroxide and ettringite content during hydration process, while those of cement mortar take account of absorption and effect of temperature on compressive strength. Furthermore, the effect of this factor on the compressive and flexural strengths, modulus of elasticity, water penetration depth and drying shrinkage of concrete were explored. Based on experimental evidences, and spite of using different cement contents, sources of latex, water–cement ratios and slump values, it can be generally concluded that the latex solid/water ratio is a dominant factor affecting different properties of latex modified mortars and concrete.

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

Science.gov (United States)

Sekeroglu, Koray

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

Impact of carbonation on water transport properties of cementitious materials

International Nuclear Information System (INIS)

Auroy, Martin

2014-01-01

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

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

NARCIS (Netherlands)

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

1997-01-01

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

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

NARCIS (Netherlands)

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

1997-01-01

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

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

NARCIS (Netherlands)

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

2011-01-01

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

Effect of water unextractable solids on gluten formation and properties: Mechanistic considerations

NARCIS (Netherlands)

Wang, M.; Hamer, R.J.; Vliet, T. van; Gruppen, H.; Marseille, H.; Weegels, P.L.

2003-01-01

A miniaturised set-up for gluten-starch separation was used to systematically study the effect of water unextractable solids (WUS) on the formation and properties of gluten. The results showed that WUS not only have a negative effect on gluten yield, but also affect gluten and glutenin macropolymer

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

Science.gov (United States)

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

2018-05-01

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

Reactive transport in a partially molten system with binary solid solution

Science.gov (United States)

Jordan, J.; Hesse, M. A.

2017-12-01

Melt extraction from the Earth's mantle through high-porosity channels is required to explain the composition of the oceanic crust. Feedbacks from reactive melt transport are thought to localize melt into a network of high-porosity channels. Recent studies invoke lithological heterogeneities in the Earth's mantle to seed the localization of partial melts. Therefore, it is necessary to understand the reaction fronts that form as melt flows across the lithological interface of a heterogeneity and the background mantle. Simplified melting models of such systems aide in the interpretation and formulation of larger scale mantle models. Motivated by the aforementioned facts, we present a chromatographic analysis of reactive melt transport across lithological boundaries, using theory for hyperbolic conservation laws. This is an extension of well-known linear trace element chromatography to the coupling of major elements and energy transport. Our analysis allows the prediction of the feedbacks that arise in reactive melt transport due to melting, freezing, dissolution and precipitation for frontal reactions. This study considers the simplified case of a rigid, partially molten porous medium with binary solid solution. As melt traverses a lithological contact-modeled as a Riemann problem-a rich set of features arise, including a reacted zone between an advancing reaction front and partial chemical preservation of the initial contact. Reactive instabilities observed in this study originate at the lithological interface rather than along a chemical gradient as in most studies of mantle dynamics. We present a regime diagram that predicts where reaction fronts become unstable, thereby allowing melt localization into high-porosity channels through reactive instabilities. After constructing the regime diagram, we test the one-dimensional hyperbolic theory against two-dimensional numerical experiments. The one-dimensional hyperbolic theory is sufficient for predicting the

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

International Nuclear Information System (INIS)

Valdez, G.D.

1988-12-01

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

A coupled transport and solid mechanics formulation with improved reaction kinetics parameters for modeling oxidation and decomposition in a uranium hydride bed.

Energy Technology Data Exchange (ETDEWEB)

Salloum, Maher N.; Shugard, Andrew D.; Kanouff, Michael P.; Gharagozloo, Patricia E.

2013-03-01

Modeling of reacting flows in porous media has become particularly important with the increased interest in hydrogen solid-storage beds. An advanced type of storage bed has been proposed that utilizes oxidation of uranium hydride to heat and decompose the hydride, releasing the hydrogen. To reduce the cost and time required to develop these systems experimentally, a valid computational model is required that simulates the reaction of uranium hydride and oxygen gas in a hydrogen storage bed using multiphysics finite element modeling. This SAND report discusses the advancements made in FY12 (since our last SAND report SAND2011-6939) to the model developed as a part of an ASC-P&EM project to address the shortcomings of the previous model. The model considers chemical reactions, heat transport, and mass transport within a hydride bed. Previously, the time-varying permeability and porosity were considered uniform. This led to discrepancies between the simulated results and experimental measurements. In this work, the effects of non-uniform changes in permeability and porosity due to phase and thermal expansion are accounted for. These expansions result in mechanical stresses that lead to bed deformation. To describe this, a simplified solid mechanics model for the local variation of permeability and porosity as a function of the local bed deformation is developed. By using this solid mechanics model, the agreement between our reacting bed model and the experimental data is improved. Additionally, more accurate uranium hydride oxidation kinetics parameters are obtained by fitting the experimental results from a pure uranium hydride oxidation measurement to the ones obtained from the coupled transport-solid mechanics model. Finally, the coupled transport-solid mechanics model governing equations and boundary conditions are summarized and recommendations are made for further development of ARIA and other Sandia codes in order for them to sufficiently implement the model.

Transport and solid state battery characteristic studies of silver based super ion conducting glasses

International Nuclear Information System (INIS)

Jayaseelan, S.; Muralidharan, P.; Venkateswarlu, M.; Satyanarayana, N.

2005-01-01

Silverarsenotellurite (SAT), silverphosphotellurite (SPT) and silvervanadotellurite (SVT) quaternary glass systems were prepared with various formers compositions by a melt quenching method. Glass nature, glass transition temperature (T g ) and structure of the prepared glasses were identified respectively by X-ray diffraction (XRD), differential scanning calorimetric (DSC) and Fourier transform infrared (FT-IR) technique. Electrical conductivity studies were carried out by impedance measurement in the frequency range 40 Hz to 100 KHz at different temperatures for all three sets of AgI-Ag 2 O-[TeO 2 -M 2 O 5 ] (M 2 O 5 = As 2 O 5 , P 2 O 5 , V 2 O 5 ) glasses. The high conducting compositions of SAT, SPT and SVT glass samples were fixed from the results of total conductivity (σ t ). Electronic conductivity (σ e ) studies were made on high conducting composition of each glass system by Wagner's polarization method. Total current (i t ) is due to ion and electron. Electronic current (i e ) due to electron were estimated through mobility studies. Ionic conductivity (σ i ) and ionic current (i i ) were calculated respectively using the conductivity (σ t and σ e ) and current (i t and i e ) results for the SAT, SPT and SVT glasses. Transport numbers due to ion (t i ) and electron (t e ) were calculated using the conductivity and mobility results for each glass system. The high conducting composition of the SAT, SPT and SVT glasses were used as solid electrolytes with silver metal as an anode and iodine:graphite (I:C) as a cathode for the fabrication of solid state batteries (SSBs). All the fabricated batteries were characterized by measuring the open circuit voltage (OCV) and polarization properties and estimated the batteries performances

Fabrication and Transport Properties of Manganite-Polyacrylamide-Based Composites

Directory of Open Access Journals (Sweden)

Viorel Sandu

2009-01-01

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

Co-pyrolysis of coal with organic solids

Energy Technology Data Exchange (ETDEWEB)

Straka, P.; Buchtele, J. [Inst. of Rock Structure and Mechanics, Prague (Czechoslovakia)

1995-12-01

The co-pyrolysis of high volatile A bituminous coal with solid organic materials (proteins, cellulose, polyisoprene, polystyrene, polyethylene-glycolterephtalate-PEGT) at a high temperature conditions was investigated. Aim of the work was to evaluate, firstly, the changes of the texture and of the porous system of solid phase after high temperature treatment in presence of different types of macromolecular solids, secondly, properties and composition of the tar and gas. Considered organic solids are important waste components. During their co-pyrolysis the high volatile bituminous coal acts as a hydrogen donor in the temperature rank 220-480{degrees}C. In the rank 500- 1000{degrees}C the solid phase is formed. The co-pyrolysis was carried out at heating rate 3 K/min. It was found that an amount of organic solid (5-10%) affects important changes in the optical texture forms of solid phase, in the pore distribution and in the internal surface area. Transport large pores volume decreases in presence of PEGT, polystyrene and cellulose and increases in presence of proteins and polyisoprene. (image analysis measurements show that the tendency of coal to create coarse pores during co-pyrolysis is very strong and increases with increasing amount of organic solid in blend). An addition of considered materials changes the sorption ability (methylene blue test, iodine adsorption test), moreover, the reactivity of the solid phase.

Prediction of Thermal Transport Properties of Materials with Microstructural Complexity

Energy Technology Data Exchange (ETDEWEB)

Chen, Youping

2017-10-10

This project aims at overcoming the major obstacle standing in the way of progress in dynamic multiscale simulation, which is the lack of a concurrent atomistic-continuum method that allows phonons, heat and defects to pass through the atomistic-continuum interface. The research has led to the development of a concurrent atomistic-continuum (CAC) methodology for multiscale simulations of materials microstructural, mechanical and thermal transport behavior. Its efficacy has been tested and demonstrated through simulations of dislocation dynamics and phonon transport coupled with microstructural evolution in a variety of materials and through providing visual evidences of the nature of phonon transport, such as showing the propagation of heat pulses in single and polycrystalline solids is partially ballistic and partially diffusive. In addition to providing understanding on phonon scattering with phase interface and with grain boundaries, the research has contributed a multiscale simulation tool for understanding of the behavior of complex materials and has demonstrated the capability of the tool in simulating the dynamic, in situ experimental studies of nonequilibrium transient transport processes in material samples that are at length scales typically inaccessible by atomistically resolved methods.

Structural and electrical transport properties of La2Mo2O9 thin films prepared by pulsed laser deposition

Science.gov (United States)

Paul, T.; Ghosh, A.

2017-04-01

We have studied the structure and electrical properties of La2Mo2O9 thin films of different thicknesses prepared by the laser deposition technique at different substrate temperatures. The structural properties of the thin films have been investigated using XRD, XPS, AFM, TEM, SEM, and Raman spectroscopy. The electrical transport properties of the thin films have been investigated in wide temperature and frequency ranges. The cubic nature of the thin films has been confirmed from structural analysis. An enhancement of the oxygen ion conductivity of the films up to five orders of magnitude is obtained compared to that of the bulk La2Mo2O9, suggesting usefulness of the thin films as electrolytes in micro-solid oxide fuel cells. The enhanced dc ionic conductivity of the thin films has been interpreted using the rule of the mixture model, while a power law model has been used to investigate the frequency and temperature dependences of the conductivity. The analysis of the results predicts the three-dimensional oxygen ion conduction in the thin films.

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

Indian Academy of Sciences (India)

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

Properties and potential application of modern adsorbents in formulation of solid drug delivery systems

OpenAIRE

Krstić, Marko; Milović, Mladen; Ibrić, Svetlana

2016-01-01

In latest years, many natural and synthetic solid carriers attract increasing attention, due to theirs biocompatibility, acceptable ecological and toxicological properties, possible modification of physico-chemical properties, simple production, high stability and relatively low price. These carriers have similar chemical structure, mostly based on silicon-dioxide, magnesium aluminometasilicate and calcium phosphate, and differ from each other in structure porosity, specific surface area, siz...

Influence of deformation on the fluid transport properties of salt rocks

NARCIS (Netherlands)

Peach, C.J.

1991-01-01

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

Subsurface transport with emphasis on hydrology: research needs. Subsurface Transport Program

International Nuclear Information System (INIS)

Zachara, J.M.; Wildung, R.E.

1982-03-01

A number of energy technologies presently in operation or under development generate solid wastes in large quantities as a major byproduct. These wastes will, for the most part, be disposed to the ground in landfills or inactive mine sites. Although the waste materials differ significantly among technologies, most contain residual, water-soluble chemical components which are of ecological and human health concern. Thus, in ground disposal may have a significant long-term impact on water supplies and human health if not properly conducted. With the growing magnitude of solid waste disposal operations, it becomes imperative to establish common ground between technologies such that research in this complex area can be efficiently managed to benefit a variety of users. This report develops the concept of multitechnology or generic research in subsurface transport with emphasis on hydrogeochemistry. Initially, a generic research approach was developed independent of waste characteristics. This approach both identified and prioritized the research information or experimentation and data management tools (models) required to resolve major technical concerns for in ground disposal. Waste characteristics were then evaluated to identify the common, cross-technology information needs. This evaluation indicated that solid wastes from energy producing technologies have physiocochemical properties in common which serve as a useful basis for identification of fundamental, generic research needs. Priority research projects are suggested for addressing contaminant identification, solubilization, transformation and transport. 38 references, 3 tables

Tribological properties of rice starch in liquid and semi-solid food model systems

NARCIS (Netherlands)

Liu, K.; Stieger, M.A.; Linden, van der E.; Velde, van de Fred

2016-01-01

This study investigated the tribological and rheological properties of liquid and semi-solid food model systems containing micro-granular rice starch. Native (uncooked) and gelatinized rice starch dispersions, o/w emulsions and emulsion-filled gelatin gels were studied as food model systems. Native

Municipal solid waste conversion to transportation fuels: a life-cycle estimation of global warming potential and energy consumption

DEFF Research Database (Denmark)

Pressley, Phillip N.; Aziz, Tarek N.; DeCarolis, Joseph F.

2014-01-01

This paper utilizes life cycle assessment (LCA) methodology to evaluate the conversion of U.S. municipal solid waste (MSW) to liquid transportation fuels via gasification and Fischer-Tropsch (FT). The model estimates the cumulative energy demand and global warming potential (GWP) associated...

Electrical Transport Properties of Polycrystalline Monolayer Molybdenum Disulfide

Science.gov (United States)

2014-07-14

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

Influence of deformation on the fluid transport properties of salt rocks

NARCIS (Netherlands)

Peach, C.J.

1991-01-01

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

Electronic transport properties of pentacene single crystals upon exposure to air

NARCIS (Netherlands)

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

2005-01-01

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

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

Science.gov (United States)

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

2010-03-01

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

Methods for using novel cathode and electrolyte materials for solid oxide fuel cells and ion transport membranes

Science.gov (United States)

Jacobson, Allan J.; Wang, Shuangyan; Kim, Gun Tae

2016-01-12

Methods using novel cathode, electrolyte and oxygen separation materials operating at intermediate temperatures for use in solid oxide fuel cells and ion transport membranes include oxides with perovskite related structures and an ordered arrangement of A site cations. The materials have significantly faster oxygen kinetics than in corresponding disordered perovskites.

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

International Nuclear Information System (INIS)

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

2015-01-01

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

Block Copolymer Electrolytes: Thermodynamics, Ion Transport, and Use in Solid- State Lithium/Sulfur Cells

Science.gov (United States)

Teran, Alexander Andrew

Nanostructured block copolymer electrolytes containing an ion-conducting block and a modulus-strengthening block are of interest for applications in solid-state lithium metal batteries. These materials can self-assemble into well-defined microstructures, creating conducting channels that facilitate ion transport. The overall objective of this dissertation is to gain a better understanding of the behavior of salt-containing block copolymers, and evaluate their potential for use in solid-state lithium/sulfur batteries. Anionically synthesized polystyrene-b-poly(ethylene oxide) (SEO) copolymers doped with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt were used as a model system. This thesis investigates the model system on several levels: from fundamental thermodynamic studies to bulk characterization and finally device assembly and testing. First, the thermodynamics of neat and salt-containing block copolymers was studied. The addition of salt to these materials is necessary to make them conductive, however even small amounts of salt can have significant effects on their phase behavior, and consequently their iontransport and mechanical properties. As a result, the effect of salt addition on block copolymer thermodynamics has been the subject of significant interest over the last decade. A comprehensive study of the thermodynamics of block copolymer/salt mixtures over a wide range of molecular weights, compositions, salt concentrations and temperatures was conducted. Next, the effect of molecular weight on ion transport in both homopolymer and copolymer electrolytes were studied over a wide range of chain lengths. Homopolymer electrolytes show an inverse relationship between conductivity and chain length, with a plateau in the infinite molecular weight limit. This is due to the presence of two mechanisms of ion conduction in homopolymers; the first mechanism is a result of the segmental motion of the chains surrounding the salt ions, 2 creating a liquid

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-03-15

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

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

Science.gov (United States)

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

2013-03-01

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

77 FR 69769 - Solid Waste Rail Transfer Facilities

Science.gov (United States)

2012-11-21

...] Solid Waste Rail Transfer Facilities AGENCY: Surface Transportation Board, DOT. ACTION: Final rules. SUMMARY: These final rules govern land-use-exemption permits for solid waste rail transfer facilities. The... Transportation Board over solid waste rail transfer facilities. The Act also added three new statutory provisions...

Thermodynamic and transport properties of two-temperature SF6 plasmas

International Nuclear Information System (INIS)

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

2012-01-01

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

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

KAUST Repository

Hanna, Amir

2012-01-01

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

First-principles simulations of heat transport

Science.gov (United States)

Puligheddu, Marcello; Gygi, Francois; Galli, Giulia

2017-11-01

Advances in understanding heat transport in solids were recently reported by both experiment and theory. However an efficient and predictive quantum simulation framework to investigate thermal properties of solids, with the same complexity as classical simulations, has not yet been developed. Here we present a method to compute the thermal conductivity of solids by performing ab initio molecular dynamics at close to equilibrium conditions, which only requires calculations of first-principles trajectories and atomic forces, thus avoiding direct computation of heat currents and energy densities. In addition the method requires much shorter sequential simulation times than ordinary molecular dynamics techniques, making it applicable within density functional theory. We discuss results for a representative oxide, MgO, at different temperatures and for ordered and nanostructured morphologies, showing the performance of the method in different conditions.

Optical and transport properties of polyaniline films

International Nuclear Information System (INIS)

Tzamalis, Georgios

2002-01-01

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

Processing and properties of a solid energy fuel from municipal solid waste (MSW) and recycled plastics

International Nuclear Information System (INIS)

Gug, JeongIn; Cacciola, David; Sobkowicz, Margaret J.

2015-01-01

Highlights: • Briquetting was used to produce solid fuels from municipal solid waste and recycled plastics. • Optimal drying, processing temperature and pressure were found to produce stable briquettes. • Addition of waste plastics yielded heating values comparable with typical coal feedstocks. • This processing method improves utilization of paper and plastic diverted from landfills. - Abstract: Diversion of waste streams such as plastics, woods, papers and other solid trash from municipal landfills and extraction of useful materials from landfills is an area of increasing interest especially in densely populated areas. One promising technology for recycling municipal solid waste (MSW) is to burn the high-energy-content components in standard coal power plant. This research aims to reform wastes into briquettes that are compatible with typical coal combustion processes. In order to comply with the standards of coal-fired power plants, the feedstock must be mechanically robust, free of hazardous contaminants, and moisture resistant, while retaining high fuel value. This study aims to investigate the effects of processing conditions and added recyclable plastics on the properties of MSW solid fuels. A well-sorted waste stream high in paper and fiber content was combined with controlled levels of recyclable plastics PE, PP, PET and PS and formed into briquettes using a compression molding technique. The effect of added plastics and moisture content on binding attraction and energy efficiency were investigated. The stability of the briquettes to moisture exposure, the fuel composition by proximate analysis, briquette mechanical strength, and burning efficiency were evaluated. It was found that high processing temperature ensures better properties of the product addition of milled mixed plastic waste leads to better encapsulation as well as to greater calorific value. Also some moisture removal (but not complete) improves the compacting process and results in

Processing and properties of a solid energy fuel from municipal solid waste (MSW) and recycled plastics

Energy Technology Data Exchange (ETDEWEB)

Gug, JeongIn, E-mail: Jeongin_gug@student.uml.edu; Cacciola, David, E-mail: david_cacciola@student.uml.edu; Sobkowicz, Margaret J., E-mail: Margaret_sobkowiczkline@uml.edu

2015-01-15

Highlights: • Briquetting was used to produce solid fuels from municipal solid waste and recycled plastics. • Optimal drying, processing temperature and pressure were found to produce stable briquettes. • Addition of waste plastics yielded heating values comparable with typical coal feedstocks. • This processing method improves utilization of paper and plastic diverted from landfills. - Abstract: Diversion of waste streams such as plastics, woods, papers and other solid trash from municipal landfills and extraction of useful materials from landfills is an area of increasing interest especially in densely populated areas. One promising technology for recycling municipal solid waste (MSW) is to burn the high-energy-content components in standard coal power plant. This research aims to reform wastes into briquettes that are compatible with typical coal combustion processes. In order to comply with the standards of coal-fired power plants, the feedstock must be mechanically robust, free of hazardous contaminants, and moisture resistant, while retaining high fuel value. This study aims to investigate the effects of processing conditions and added recyclable plastics on the properties of MSW solid fuels. A well-sorted waste stream high in paper and fiber content was combined with controlled levels of recyclable plastics PE, PP, PET and PS and formed into briquettes using a compression molding technique. The effect of added plastics and moisture content on binding attraction and energy efficiency were investigated. The stability of the briquettes to moisture exposure, the fuel composition by proximate analysis, briquette mechanical strength, and burning efficiency were evaluated. It was found that high processing temperature ensures better properties of the product addition of milled mixed plastic waste leads to better encapsulation as well as to greater calorific value. Also some moisture removal (but not complete) improves the compacting process and results in

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

Science.gov (United States)

Torres, V.; Faria, D.; Latgé, A.

2018-04-01

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

Regulation and roles of bicarbonate transport in cancer

Directory of Open Access Journals (Sweden)

Andrej eGorbatenko

2014-04-01

Full Text Available A unifying feature of solid tumors is a markedly altered pH profile compared to normal tissues. This reflects that solid tumors, despite completely different origins, often share several phenotypic properties with implications for intra- and extracellular pH. These include: a metabolic shift in most cancer cells towards more acid-producing pathways, reflecting both oncogenic signaling and the development of hypoxia in poorly perfused regions of the tumors; the poorly perfused and often highly dense tumor microenvironment, reducing the diffusive flux of acid equivalents compared to that in normal tissues; and the markedly altered regulation of the expression and activity of pH-regulatory transport proteins in the cancer cells. While some of these properties of tumors have been well described in recent years, the great majority of the research in this clinically important area has focused on proton transport, in particular via the Na+/H+-exchanger 1 (SLC9A1, NHE1 and various H+ ATPases. We have, however, recently demonstrated that at least under some conditions, including in vitro models of HER2 positive breast cancer, and measurements obtained directly in freshly dissected human mammary tumors, bicarbonate transporters such as the electroneutral Na+,HCO3--cotransporter (SLC4A7, NBCn1, are upregulated and play central roles in pH regulation. In this review, we summarize and discuss the current knowledge regarding the regulation and roles of bicarbonate transport in cancer.

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

Science.gov (United States)

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

2017-09-01

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

Electronic structure and optical properties of solid C60

International Nuclear Information System (INIS)

Mattesini, M.; Ahuja, R.; Sa, L.; Hugosson, H.W.; Johansson, B.; Eriksson, O.

2009-01-01

The electronic structure and the optical properties of face-centered-cubic C 60 have been investigated by using an all-electron full-potential method. Our ab initio results show that the imaginary dielectric function for high-energy values looks very similar to that of graphite, revealing close electronic structure similarities between the two systems. We have also identified the origin of different peaks in the dielectric function of fullerene by means of the calculated electronic density of states. The computed optical spectrum compares fairly well with the available experimental data for the Vis-UV absorption spectrum of solid C 60 .

Impact of sludge properties on solid-liquid separation of activated sludge

DEFF Research Database (Denmark)

Christensen, Morten Lykkegaard

2016-01-01

Solid-liquid separation of activated sludge is important both directly after the biological treatment of wastewater and for sludge dewatering. The separation of solid from the treated wastewater can be done by clarifiers (conventional plants) or membrane (MBR). Further, part of the sludge is taken...... out from the proces and usually dewatered before further handling. The separation process is costly. Moreover, the separation process depends on the composition and the properties of the sludge. The best separation is obtained for sludge that contains strong, compact flocs without single cells...... and dissolved extracellular polymeric substances (EPS). Polyvalent ions improve the floc strangth and improve the separation whereas monovalent ions (e.g. from road salt, sea water intrusion and industry) reduces impair the separation. Further high pH impairs the separation process due to floc disintegration...

The influence of precipitation temperature on the properties of ceria–zirconia solid solution composites

International Nuclear Information System (INIS)

Cui, Yajuan; Fang, Ruimei; Shang, Hongyan; Shi, Zhonghua; Gong, Maochu; Chen, Yaoqiang

2015-01-01

Highlights: • The crystallite size of precipitate increases as the precipitation temperature rises. • The stack of large crystallite can form nanoparticles with big pore size. • Big pore sizes are advantageous to improve the thermal stability. • Phase segregation is restricted in CZ solid solution precipitated at 70 °C. • The reducibility and OSC of the solid solution precipitated at 70 °C are improved. - Abstract: The ceria–zirconia composites (CZ) with a Ce/Zr mass ratio of 1/1 were synthesized by a back-titration method, in which the influence of precipitation temperature on the properties of ceria–zirconia precipitates was investigated. The resulting precipitation and mixed oxides at different precipitation temperatures were then characterized by a range of techniques, including textural properties, X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), H 2 -temperature programmed reduction (H 2 -TPR) as well as oxygen storage capacity (OSC) measurement. The results revealed that ceria–zirconia composites were formed as solid solution and such structure is favored of thermostability and texture properties. In particular, the composite CZ-70 synthesized at 70 °C exhibited prominent thermostability with a surface area of 32 m 2 /g as well as a pore volume of 0.15 cc/g after aging treatment at 1000 °C for 5 h. And this was found to be associated with the wider pore size distribution which maybe owed to the formation of large crystal at the primary stage of precipitation. Additionally, the composite CZ-70 showed excellent reduction property and OSC benefiting from stable texture and structure

Bridging micro to macroscale fracture properties in highly heterogeneous brittle solids: weak pinning versus fingering

Science.gov (United States)

Vasoya, Manish; Lazarus, Véronique; Ponson, Laurent

2016-10-01

The effect of strong toughness heterogeneities on the macroscopic failure properties of brittle solids is investigated in the context of planar crack propagation. The basic mechanism at play is that the crack is locally slowed down or even trapped when encountering tougher material. The induced front deformation results in a selection of local toughness values that reflect at larger scale on the material resistance. To unravel this complexity and bridge micro to macroscale in failure of strongly heterogeneous media, we propose a homogenization procedure based on the introduction of two complementary macroscopic properties: An apparent toughness defined from the loading required to make the crack propagate and an effective fracture energy defined from the rate of energy released by unit area of crack advance. The relationship between these homogenized properties and the features of the local toughness map is computed using an iterative perturbation method. This approach is applied to a circular crack pinned by a periodic array of obstacles invariant in the radial direction, which gives rise to two distinct propagation regimes: A weak pinning regime where the crack maintains a stationary shape after reaching an equilibrium position and a fingering regime characterized by the continuous growth of localized regions of the fronts while the other parts remain trapped. Our approach successfully bridges micro to macroscopic failure properties in both cases and illustrates how small scale heterogeneities can drastically affect the overall failure response of brittle solids. On a broader perspective, we believe that our approach can be used as a powerful tool for the rational design of heterogeneous brittle solids and interfaces with tailored failure properties.

Physicochemical properties and thermal stability of quercetin hydrates in the solid state

Energy Technology Data Exchange (ETDEWEB)

Borghetti, G.S., E-mail: greicefarm@yahoo.com.br [Programa de Pos-Graduacao em Ciencias Farmaceuticas, Faculdade de Farmacia, Universidade Federal do Rio Grande do Sul, Av. Ipiranga 2752, CEP 90.610-000, Porto Alegre, RS (Brazil); Carini, J.P. [Programa de Pos-Graduacao em Ciencias Farmaceuticas, Faculdade de Farmacia, Universidade Federal do Rio Grande do Sul, Av. Ipiranga 2752, CEP 90.610-000, Porto Alegre, RS (Brazil); Honorato, S.B.; Ayala, A.P. [Departamento de Fisica, Universidade Federal do Ceara, Caixa Postal 6030, CEP 60.455-970, Fortaleza, CE (Brazil); Moreira, J.C.F. [Departamento de Bioquimica, Instituto de Ciencias Basicas da Saude, Universidade Federal do Rio Grande do Sul, Rua Ramiro Barcelos 2600, CEP 90035-003, Porto Alegre, RS (Brazil); Bassani, V.L. [Programa de Pos-Graduacao em Ciencias Farmaceuticas, Faculdade de Farmacia, Universidade Federal do Rio Grande do Sul, Av. Ipiranga 2752, CEP 90.610-000, Porto Alegre, RS (Brazil)

2012-07-10

Highlights: Black-Right-Pointing-Pointer Quercetin raw materials may present different degree of hydration. Black-Right-Pointing-Pointer Thermal stability of quercetin in the solid state depends on its degree of hydration. Black-Right-Pointing-Pointer Quercetin dehydrate is thermodynamically more stable than the other crystal forms. - Abstract: In the present work three samples of quercetin raw materials (QCTa, QCTb and QCTc), purchased from different Brazilian suppliers, were characterized employing scanning electron microscopy, Raman spectroscopy, simultaneous thermogravimetry and infrared spectroscopy, differential scanning calorimetry, and variable temperature-powder X-ray diffraction, in order to know their physicochemical properties, specially the thermal stability in solid state. The results demonstrated that the raw materials of quercetin analyzed present distinct crystalline structures, ascribed to the different degree of hydration of their crystal lattice. The thermal stability of these quercetin raw materials in the solid state was highly dependent on their degree of hydration, where QCTa (quercetin dihydrate) was thermodynamically more stable than the other two samples.

Domestic horses (Equus ferus caballus) fail to intuitively reason about object properties like solidity and weight.

Science.gov (United States)

Haemmerli, Sarah; Thill, Corinne; Amici, Federica; Cacchione, Trix

2018-05-01

From early infancy, humans reason about the external world in terms of identifiable, solid, cohesive objects persisting in space and time. This is one of the most fundamental human skills, which may be part of our innate conception of object properties. Although object permanence has been extensively studied across a variety of taxa, little is known about how non-human animals reason about other object properties. In this study, we therefore tested how domestic horses (Equus ferus caballus) intuitively reason about object properties like solidity and height, to locate hidden food. Horses were allowed to look for a food reward behind two opaque screens, only one of which had either the proper height or inclination to hide food rewards. Our results suggest that horses could not intuitively reason about physical object properties, but rather learned to select the screen with the proper height or inclination from the second set of 5 trials.

State-specific transport properties of electronically excited Ar and C

Science.gov (United States)

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

2018-05-01

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

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

Science.gov (United States)

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

2015-11-01

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

Control of microstructure and mechanical properties of laser solid formed Inconel 718 superalloy by electromagnetic stirring

Science.gov (United States)

Liu, Fencheng; Cheng, Hongmao; Yu, Xiaobin; Yang, Guang; Huang, Chunping; Lin, Xin; Chen, Jing

2018-02-01

The coarse columnar grains and special interface in laser solid formed (LSFed) Inconel 718 superalloy workpieces seriously affect their mechanical properties. To improve the microstructure and mechanical properties of LSFed Inconel 718 superalloy, electromagnetic stirring (EMS) was introduced to alter the solidification process of the molten pool during LSF. The results show that EMS could not completely eliminate the epitaxially growing columnar grains, however, the strong convection of liquid metals can effectively influence the solid-liquid interface growing mode. The segregation of alloying elements on the front of solid-liquid interface is inhibited and the degree of constitutional supercooling decreases correspondingly. Comparing the microstructures of samples formed under different process parameters, the size and amount of the γ+Laves eutectic phases formed in interdendritic area decrease along with the increasing magnetic field intensity, resulting in more uniformly distributed alloying elements. The residual stress distribution is proved to be more uniform, which is beneficial to the grain refinement after recrystallilzaiton. Mechanical properties testing results show an improvement of 100 MPa in tensile strength and 22% in elongation was obtained after EMS was used. The high cycle fatigue properties at room temperature was also improved from 4.09 × 104 cycles to 8.21 × 104 cycles for the as-deposited samples, and from 5.45 × 104 cycles to 12.73 × 104 cycles for the heat treated samples respectively.

Deposition of hole-transport materials in solid-state dye-sensitized solar cells by doctor-blading

KAUST Repository

Ding, I-Kang

2010-07-01

We report using doctor-blading to replace conventional spin coating for the deposition of the hole-transport material spiro-OMeTAD (2,20,7,70-tetrakis-(N, N-di-p-methoxyphenylamine)- 9,90-spirobifluorene) in solid-state dye-sensitized solar cells. Doctor-blading is a roll-to-roll compatible, large-area coating technique, is capable of achieving the same spiro-OMeTAD pore filling fraction as spin coating, and uses much less material. The average power conversion efficiency of solid-state dye-sensitized solar cells made from doctorblading is 3.0% for 2-lm thick films and 2.0% for 5-lm thick films, on par with devices made with spin coating. Directions to further improve the filling fraction are also suggested. © 2010 Elsevier B.V. All rights reserved.

Solid - solid and solid - liquid phase transitions of iron and iron alloys under laser shock compression

Science.gov (United States)

Harmand, M.; Krygier, A.; Appel, K.; Galtier, E.; Hartley, N.; Konopkova, Z.; Lee, H. J.; McBride, E. E.; Miyanishi, K.; Nagler, B.; Nemausat, R.; Vinci, T.; Zhu, D.; Ozaki, N.; Fiquet, G.

2017-12-01

An accurate knowledge of the properties of iron and iron alloys at high pressures and temperatures is crucial for understanding and modelling planetary interiors. While Earth-size and Super-Earth Exoplanets are being discovered in increasingly large numbers, access to detailed information on liquid properties, melting curves and even solid phases of iron and iron at the pressures and temperatures of their interiors is still strongly limited. In this context, XFEL sources coupled with high-energy lasers afford unique opportunities to measure microscopic structural properties at far extreme conditions. Also the achievable time resolution allows the shock history and phase transition mechanisms to be followed during laser compression, improving our understanding of the high pressure and high strain experiments. Here we present recent studies devoted to investigate the solid-solid and solid-liquid transition in laser-shocked iron and iron alloys (Fe-Si, Fe-C and Fe-O alloys) using X-ray diffraction and X-ray diffuse scattering. Experiment were performed at the MEC end-station of the LCLS facility at SLAC (USA). Detection of the diffuse scattering allowed the identification of the first liquid peak position along the Hugoniot, up to 4 Mbar. The time resolution shows ultrafast (between several tens and several hundreds of picoseconds) solid-solid and solid-liquid phase transitions. Future developments at XFEL facilities will enable detailed studies of the solid and liquid structures of iron and iron alloys as well as out-of-Hugoniot studies.

Concept of Quantum Geometry in Optoelectronic Processes in Solids: Application to Solar Cells.

Science.gov (United States)

Nagaosa, Naoto; Morimoto, Takahiro

2017-07-01

The concept of topology is becoming more and more relevant to the properties and functions of electronic materials including various transport phenomena and optical responses. A pedagogical introduction is given here to the basic ideas and their applications to optoelectronic processes in solids. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Unipolar time-differential charge sensing in non-dispersive amorphous solids

International Nuclear Information System (INIS)

Goldan, A. H.; Rowlands, J. A.; Tousignant, O.; Karim, K. S.

2013-01-01

The use of high resistivity amorphous solids as photodetectors, especially amorphous selenium, is currently of great interest because they are readily produced over large area at substantially lower cost compared to grown crystalline solids. However, amorphous solids have been ruled out as viable radiation detection media for high frame-rate applications, such as single-photon-counting imaging, because of low carrier mobilities, transit-time-limited photoresponse, and consequently, poor time resolution. To circumvent the problem of poor charge transport in amorphous solids, we propose unipolar time-differential charge sensing by establishing a strong near-field effect using an electrostatic shield within the material. For the first time, we have fabricated a true Frisch grid inside a solid-state detector by evaporating amorphous selenium over photolithographically prepared multi-well substrates. The fabricated devices are characterized with optical, x-ray, and gamma-ray impulse-like excitations. Results prove the proposed unipolar time-differential property and show that time resolution in non-dispersive amorphous solids can be improved substantially to reach the theoretical limit set by spatial spreading of the collected Gaussian carrier cloud.

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

Science.gov (United States)

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

2015-01-28

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

Thermoelectric transport properties of polycrystalline titanium diselenide co-intercalated with nickel and titanium using spark plasma sintering

Energy Technology Data Exchange (ETDEWEB)

Holgate, T.C. [Department of Energy Storage and Conversion, Technical University of Denmark, Riso Campus, 4000 Roskilde (Denmark); Zhu, S.; Zhou, M. [Department of Physics and Astronomy, Clemson University, Clemson, SC 29634 (United States); Bangarigadu-Sanasy, S.; Kleinke, H. [Department of Chemistry, University of Waterloo, Waterloo, Ontario, N2L 3G1 (Canada); He, J. [Department of Physics and Astronomy, Clemson University, Clemson, SC 29634 (United States); Tritt, T.M., E-mail: ttritt@clemson.edu [Department of Physics and Astronomy, Clemson University, Clemson, SC 29634 (United States)

2013-01-15

Polycrystalline samples of nickel intercalated (0-5%) TiSe{sub 2} were attempted via solid-state reaction in evacuated quartz tubes followed by densification using a spark plasma sintering process. X-ray diffraction data indicated that mixed NiSe{sub 2} and TiSe{sub 2} phases were present after initial synthesis by solid-state reaction, but a pure TiSe{sub 2} phase was present after the spark plasma sintering. While EPMA data reveals the stoichiometry to be near 1:1.8 (Ti:Se) for all samples, comparisons of the measured bulk densities to the theoretical densities suggest that the off stoichiometry is a result of the co-intercalation of both Ni and Ti rather than Se vacancies. Due to the presence of excess Ti (0.085-0.130 per formula) in the van der Waals gap of all the samples, the sensitive electron-hole balance is offset by the additional Ti-3d electrons, leading to an increase in the thermopower (n-type) over pristine, stoichiometric TiSe{sub 2}. The effects of the co-intercalation of both Ni and Ti in TiSe{sub 2} on the structural, thermal, and electrical properties are discussed herein. - Graphical abstract: Co-intercalation of nickel and excess titanium into the van der Waals gap of TiSe{sub 2} via solid state synthesis followed by spark plasma sintering results in a systematic shift in the ratio of hole and electron carrier concentration, which is close to unity for pristine TiSe{sub 2}. This directly affects the electrical transport properties, and as the structural disorder induced by intercalation suppresses the lattice thermal conductivity, co-intercalation is an effective route to enhance the thermoelectric properties of transition metal diselenides. Highlights: Black-Right-Pointing-Pointer Single phase bulk Ni and Ti co-intercalated TiSe{sub 2} samples prepared by spark plasma sintering. Black-Right-Pointing-Pointer Density and X-ray diffraction suggest that the Ni and excess Ti are ordered in the Van der Waals gap. Black-Right-Pointing-Pointer Co

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

Czech Academy of Sciences Publication Activity Database

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

2012-01-01

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

Influence of biofilms on transport properties in porous media

Science.gov (United States)

Davit, Y.

2015-12-01

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

Use of neutrals backscattering for studying the vibrational properties of solid surfaces

International Nuclear Information System (INIS)

Lapujoulade, J.

1975-01-01

The neutrals (rare gases) elastic scattering may be used for studying some interesting properties of surfaces. However, an analysis of inelastic phenomena is mostly to be performed when vibrational properties of metallic surfaces are investigated. The dispersion relation of surface phonons has not yet been experimentally obtained from neutrals backscattering from solid surfaces, but the quasi-elastic scattering of helium should give this information on condition that velocity measurements are refined in view of directly obtained the distribution function rather than its moments and determining the preponderance of one-phonon transitions, or obtaining a detailed description of many-phonon exchanges [fr

Thermophysical Properties of Solid and Liquid Ti-6Al-4V (TA6V) Alloy

Science.gov (United States)

Boivineau, M.; Cagran, C.; Doytier, D.; Eyraud, V.; Nadal, M.-H.; Wilthan, B.; Pottlacher, G.

2006-03-01

Ti-6Al-4V (TA6V) titanium alloy is widely used in industrial applications such as aeronautic and aerospace due to its good mechanical properties at high temperatures. Experiments on two different resistive pulse heating devices (CEA Valduc and TU-Graz) have been carried out in order to study thermophysical properties (such as electrical resistivity, volume expansion, heat of fusion, heat capacity, normal spectral emissivity, thermal diffusivity, and thermal conductivity) of both solid and liquid Ti-6Al-4V. Fast time-resolved measurements of current, voltage, and surface radiation and shadowgraphs of the volume have been undertaken. At TU-Graz, a fast laser polarimeter has been used for determining the emissivity of liquid Ti-6Al-4V at 684.5 nm and a differential scanning calorimeter (DSC) for measuring the heat capacity of solid Ti-6Al-4V. This study deals with the specific behavior of the different solid phase transitions (effect of heating rate) and the melting region, and emphasizes the liquid state ( T > 2000 K).

Sorption-capacity limited retardation of radionuclides transport in water-saturated packing materials

International Nuclear Information System (INIS)

Pescatore, C.; Sullivan, T.

1984-01-01

Radionuclides breakthrough times as calculated through constant retardation factors obtained in dilute solutions are non-conservative. The constant retardation approach regards the solid as having infinite sorption capacity throughout the solid. However, as the solid become locally saturated, such as in the proximity of the waste form-packing materials interface, it will exhibit no retardation properties, and transport will take place as if the radionuclides were locally non-reactive. The magnitude of the effect of finite sorption capacity of the packing materials on radionuclide transport is discussed with reference to high-level waste package performance. An example based on literature sorption data indicated that the breakthrough time may be overpredicted by orders of magnitude using a constant retardation factor as compared to using the entire sorption isotherm to obtain a concentration-dependent retardation factor. 8 refs., 3 figs., 3 tabs

Sorption-capacity limited retardation of radionuclides transport in water-saturated packing materials

International Nuclear Information System (INIS)

Pescatore, C.; Sullivan, T.

1984-01-01

Radionuclides breakthrough times as calculated through constant retardation factors obtained in dilute solutions are non-conservative. The constant retardation approach regards the solid as having infinite sorption capacity throughout the solid. However, as the solid becomes locally saturated, such as in the proximity of the waste form-packing materials interface, it will exhibit no retardation properties, and transport will take place as if the radionuclides were locally non-reactive. The magnitude of the effect of finite sorption capacity of the packing materials on radionuclide transport is discussed with reference to high-level waste package performance. An example based on literature sorption data indicates that the breakthrough time may be overpredicted by orders of magnitude using a constant retardation factor as compared to using the entire sorption isotherm to obtain a concentration-dependent retardation factor. 8 references, 3 figures, 3 tables

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

Directory of Open Access Journals (Sweden)

Samujlov E.

2013-04-01

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

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

Science.gov (United States)

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

2018-04-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Hussain, Afzal

2010-12-16

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

Low-temperature properties of single-crystal CrB.sub.2./sub

Czech Academy of Sciences Publication Activity Database

Bauer, A.; Regnat, A.; Blum, C.G.F.; Gottlieb-Schönmeyer, S.; Pedersen, B.; Meven, M.; Wurmehl, S.; Kuneš, Jan; Pfleiderer, C.

2014-01-01

Roč. 90, č. 6 (2014), "064414-1"-"064414-14" ISSN 1098-0121 Institutional support: RVO:68378271 Keywords : CrB 2 * magnetism * transport properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

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

International Nuclear Information System (INIS)

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

1995-01-01

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

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

Science.gov (United States)

Choi, Garam; Lee, Won Bo

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

Solid State Ionic Materials - Proceedings of the 4th Asian Conference on Solid State Ionics

Science.gov (United States)

Chowdari, B. V. R.; Yahaya, M.; Talib, I. A.; Salleh, M. M.

1994-07-01

The Table of Contents for the full book PDF is as follows: * Preface * I. INVITED PAPERS * Diffusion of Cations and Anions in Solid Electrolytes * Silver Ion Conductors in the Crystalline State * NMR Studies of Superionic Conductors * Hall Effect and Thermoelectric Power in High Tc Hg-Ba-Ca-Cu-O Ceramics * Solid Electrolyte Materials Prepared by Sol-Gel Chemistry * Preparation of Proton-Conducting Gel Films and their Application to Electrochromic Devices * Thin Film Fuel Cells * Zirconia based Solid Oxide Ion Conductors in Solid Oxide Fuel Cells * The Influence of Anion Substitution on Some Phosphate-based Ion Conducting Glasses * Lithium Intercalation in Carbon Electrodes and its Relevance in Rocking Chair Batteries * Chemical Sensors using Proton Conducting Ceramics * NMR/NQR Studies of Y-Ba-Cu-O Superconductors * Silver Molybdate Glasses and Battery Systems * New Highly Conducting Polymer Ionics and their Application in Electrochemical Devices * Study of Li Electrokinetics on Oligomeric Electrolytes using Microelectrodes * Calculation of Conductivity for Mixed-Phase Electrolytes PEO-MX-Immiscible Additive by Means of Effective Medium Theory * II. CONTRIBUTED PAPERS * Phase Relationship and Electrical Conductivity of Sr-V-O System with Vanadium Suboxide * Amorphous Li+ Ionic Conductors in Li2SO4-Li2O-P2O5 System * Fast Ion Transport in KCl-Al2O3 Composites * The Effect of the Second Phase Precipitation on the Ionic Conductivity of Zr0.85Mg0.15O1.85 * Conductivity Measurements and Phase Relationships in CaCl2-CaHCl Solid Electrolyte * Relationships Between Crystal Structure and Sodium Ion Conductivity in Na7Fe4(AsO4)6 and Na3Al2(AsO4)3 * Electrical Conductivity and Solubility Limit of Ti4+ Ion in Na1+x TiyZr2-ySixP3-xO12 System * Study on Sodium Fast Ion Conductors of Na1+3xAlxTi2-xSi2xP3-2xO12 System * Influences of Zirconia on the Properties of β''-Alumina Ceramics * Decay of Luminescence from Cr3+ Ions in β-Alumina * Lithium Ion Conductivity in the Li4XO4-Li2

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

International Nuclear Information System (INIS)

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

2010-01-01

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

Parametric study of anodic microstructures to cell performance of planar solid oxide fuel cell using measured porous transport properties

Energy Technology Data Exchange (ETDEWEB)

Huang, C.M.; Shy, S.S.; Chien, C.W. [Department of Mechanical Engineering, National Central University, 300 Jhong-da Road, Jhong-li 32001 (China); Lee, C.H. [Institute of Nuclear Energy Research, Lung-tan, Tao-yuan 32546 (China)

2010-04-15

This study reports effects of porosity ({epsilon}), permeability (k) and tortuosity ({tau}) of anodic microstructures to peak power density (PPD) of a single-unit planar anode-supported SOFC based on 3D electrochemical flow models using measured porous transport properties. Applying particle image velocimetry, a transparent porous rib-channel with different {epsilon} is applied to measure an effective viscosity ({mu}{sub e}) in the Brinkman equation commonly used to predict flow properties in porous electrodes. It is found that, contrary to the popular scenario, {mu}{sub e} is not equal to the fluid viscosity ({mu}{sub f}), but it is several orders in magnitude smaller than {mu}{sub f} resulting in more than 10% difference on values of PPD. Numerical analyses show: (1) while keeping k and {tau} fixed with {epsilon} varying from 0.2 to 0.6, the highest PPD occurs at {epsilon} = 0.3 where the corresponding triple-phase-boundary length is a maximum; (2) PPD increases slightly with k when k{<=}10{sup -11} m{sup 2} due to the diffusion limitation in anode; and (3) PPD decreases with {tau} when {tau}>1.5 due to the accumulation of non-depleted products. Hence, a combination of {epsilon}=0.3, k=10{sup -11}m{sup 2}, and {tau}=1.5 is suggested for achieving higher cell performance of planar SOFC. (author)

Robust Modelling of Heat and Mass Transfer in Processing of Solid Foods

DEFF Research Database (Denmark)

Feyissa, Aberham Hailu

The study is focused on combined heat and mass transfer during processing of solid foods such as baking and frying processes. Modelling of heat and mass transfer during baking and frying is a significant scientific challenge. During baking and frying, the food undergoes several changes...... in microstructure and other physical properties of the food matrix. The heat and water transport inside the food is coupled in a complex way, which for some food systems it is not yet fully understood. A typical example of the latter is roasting of meat in convection oven, where the mechanism of water transport...... is unclear. Establishing the robust mathematical models describing the main mechanisms reliably is of great concern. A quantitative description of the heat and mass transfer during the solid food processing, in the form of mathematical equations, implementation of the solution techniques, and the value...

Molecular Clusters: Nanoscale Building Blocks for Solid-State Materials.

Science.gov (United States)

Pinkard, Andrew; Champsaur, Anouck M; Roy, Xavier

2018-04-17

The programmed assembly of nanoscale building blocks into multicomponent hierarchical structures is a powerful strategy for the bottom-up construction of functional materials. To develop this concept, our team has explored the use of molecular clusters as superatomic building blocks to fabricate new classes of materials. The library of molecular clusters is rich with exciting properties, including diverse functionalization, redox activity, and magnetic ordering, so the resulting cluster-assembled solids, which we term superatomic crystals (SACs), hold the promise of high tunability, atomic precision, and robust architectures among a diverse range of other material properties. Molecular clusters have only seldom been used as precursors for functional materials. Our team has been at the forefront of new developments in this exciting research area, and this Account focuses on our progress toward designing materials from cluster-based precursors. In particular, this Account discusses (1) the design and synthesis of molecular cluster superatomic building blocks, (2) their self-assembly into SACs, and (3) their resulting collective properties. The set of molecular clusters discussed herein is diverse, with different cluster cores and ligand arrangements to create an impressive array of solids. The cluster cores include octahedral M 6 E 8 and cubane M 4 E 4 (M = metal; E = chalcogen), which are typically passivated by a shell of supporting ligands, a feature upon which we have expanded upon by designing and synthesizing more exotic ligands that can be used to direct solid-state assembly. Building from this library, we have designed whole families of binary SACs where the building blocks are held together through electrostatic, covalent, or van der Waals interactions. Using single-crystal X-ray diffraction (SCXRD) to determine the atomic structure, a remarkable range of compositional variability is accessible. We can also use this technique, in tandem with vibrational

Novel Energy Sources -Material Architecture and Charge Transport in Solid State Ionic Materials for Rechargeable Li ion Batteries

Energy Technology Data Exchange (ETDEWEB)

Katiyar, Ram S; Gómez, M; Majumder, S B; Morell, G; Tomar, M S; Smotkin, E; Bhattacharya, P; Ishikawa, Y

2009-01-19

Since its introduction in the consumer market at the beginning of 1990s by Sony Corporation ‘Li-ion rechargeable battery’ and ‘LiCoO2 cathode’ is an inseparable couple for highly reliable practical applications. However, a separation is inevitable as Li-ion rechargeable battery industry demand more and more from this well serving cathode. Spinel-type lithium manganate (e.g., LiMn2O4), lithium-based layered oxide materials (e.g., LiNiO2) and lithium-based olivine-type compounds (e.g., LiFePO4) are nowadays being extensively studied for application as alternate cathode materials in Li-ion rechargeable batteries. Primary goal of this project was the advancement of Li-ion rechargeable battery to meet the future demands of the energy sector. Major part of the research emphasized on the investigation of electrodes and solid electrolyte materials for improving the charge transport properties in Li-ion rechargeable batteries. Theoretical computational methods were used to select electrodes and electrolyte material with enhanced structural and physical properties. The effect of nano-particles on enhancing the battery performance was also examined. Satisfactory progress has been made in the bulk form and our efforts on realizing micro-battery based on thin films is close to give dividend and work is progressing well in this direction.

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

Nonlinear ionic transport through microstructured solid electrolytes: homogenization estimates

Science.gov (United States)

Curto Sillamoni, Ignacio J.; Idiart, Martín I.

2016-10-01

We consider the transport of multiple ionic species by diffusion and migration through microstructured solid electrolytes in the presence of strong electric fields. The assumed constitutive relations for the constituent phases follow from convex energy and dissipation potentials which guarantee thermodynamic consistency. The effective response is heuristically deduced from a multi-scale convergence analysis of the relevant field equations. The resulting homogenized response involves an effective dissipation potential per species. Each potential is mathematically akin to that of a standard nonlinear heterogeneous conductor. A ‘linear-comparison’ homogenization technique is then used to generate estimates for these nonlinear potentials in terms of available estimates for corresponding linear conductors. By way of example, use is made of the Maxwell-Garnett and effective-medium linear approximations to generate estimates for two-phase systems with power-law dissipation. Explicit formulas are given for some limiting cases. In the case of threshold-type behavior, the estimates exhibit non-analytical dilute limits and seem to be consistent with fields localized in low energy paths.

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

International Nuclear Information System (INIS)

He, Jun; Chen, Ke-Qiu

2012-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2004-12-08

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

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

International Nuclear Information System (INIS)

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

2004-01-01

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

High-pressure transport properties of CrB{sub 2}

Energy Technology Data Exchange (ETDEWEB)

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

2015-07-01

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

Transient deformational properties of high temperature alloys used in solid oxide fuel cell stacks

DEFF Research Database (Denmark)

Tadesse Molla, Tesfaye; Kwok, Kawai; Frandsen, Henrik Lund

2017-01-01

Stresses and probability of failure during operation of solid oxide fuel cells (SOFCs) is affected by the deformational properties of the different components of the SOFC stack. Though the overall stress relaxes with time during steady state operation, large stresses would normally appear through...... to describe the high temperature inelastic deformational behaviors of Crofer 22 APU used for metallic interconnects in SOFC stacks.......Stresses and probability of failure during operation of solid oxide fuel cells (SOFCs) is affected by the deformational properties of the different components of the SOFC stack. Though the overall stress relaxes with time during steady state operation, large stresses would normally appear through...... transients in operation including temporary shut downs. These stresses are highly affected by the transient creep behavior of metallic components in the SOFC stack. This study investigates whether a variation of the so-called Chaboche's unified power law together with isotropic hardening can represent...

Electrochemical Approach for Analyzing Electrolyte Transport Properties and Their Effect on Protonic Ceramic Fuel Cell Performance.

Science.gov (United States)

Danilov, Nikolay; Lyagaeva, Julia; Vdovin, Gennady; Medvedev, Dmitry; Demin, Anatoly; Tsiakaras, Panagiotis

2017-08-16

The design and development of highly conductive materials with wide electrolytic domain boundaries are among the most promising means of enabling solid oxide fuel cells (SOFCs) to demonstrate outstanding performance across low- and intermediate-temperature ranges. While reducing the thickness of the electrolyte is an extensively studied means for diminishing the total resistance of SOFCs, approaches involving an improvement in the transport behavior of the electrolyte membranes have been less-investigated. In the present work, a strategy for analyzing the electrolyte properties and their effect on SOFC output characteristics is proposed. To this purpose, a SOFC based on a recently developed BaCe 0.5 Zr 0.3 Dy 0.2 O 3-δ proton-conducting ceramic material was fabricated and tested. The basis of the strategy consists of the use of traditional SOFC testing techniques combined with the current interruption method and electromotive force measurements with a modified polarization-correction assessment. This allows one to determine simultaneously such important parameters as maximal power density; ohmic and polarization resistances; average ion transport numbers; and total, ionic, and electronic film conductivities and their activation energies. The proposed experimental procedure is expected to expand both fundamental and applied basics that could be further adopted to improve the technology of electrochemical devices based on proton-conducting electrolytes.

Tilts, dopants, vacancies and non-stoichiometry: Understanding and designing the properties of complex solid oxide perovskites from first principles

Science.gov (United States)

Bennett, Joseph W.

Perovskite oxides of formula ABO3 have a wide range of structural, electrical and mechanical properties, making them vital materials for many applications, such as catalysis, ultrasound machines and communication devices. Perovskite solid solutions with high piezoelectric response, such as ferroelectrics, are of particular interest as they can be employed as sensors in SONAR devices. Ferroelectric materials are unique in that their chemical and electrical properties can be non-invasively and reversibly changed, by switching the bulk polarization. This makes ferroelectrics useful for applications in non-volatile random access memory (NVRAM) devices. Perovskite solid solutions with a lower piezoelectric response than ferroelectrics are important for communication technology, as they function well as electroceramic capacitors. Also of interest is how these materials act as a component in a solid oxide fuel cell, as they can function as an efficient source of energy. Altering the chemical composition of these solid oxide materials offers an opportunity to change the desired properties of the final ceramic, adding a degree of flexibility that is advantageous for a variety of applications. These solid oxides are complex, sometimes disordered systems that are a challenge to study experimentally. However, as it is their complexity which produces favorable properties, highly accurate modeling which captures the essential features of the disordered structure is necessary to explain the behavior of current materials and predict favorable compositions for new materials. Methodological improvements and faster computer speeds have made first-principles and atomistic calculations a viable tool for understanding these complex systems. Offering a combination of accuracy and computational speed, the density functional theory (DFT) approach can reveal details about the microscopic structure and interactions of complex systems. Using DFT and a combination of principles from both

Kinetic theory and transport phenomena

CERN Document Server

Soto, Rodrigo

2016-01-01

This textbook presents kinetic theory, which is a systematic approach to describing nonequilibrium systems. The text is balanced between the fundamental concepts of kinetic theory (irreversibility, transport processes, separation of time scales, conservations, coarse graining, distribution functions, etc.) and the results and predictions of the theory, where the relevant properties of different systems are computed. The book is organised in thematic chapters where different paradigmatic systems are studied. The specific features of these systems are described, building and analysing the appropriate kinetic equations. Specifically, the book considers the classical transport of charges, the dynamics of classical gases, Brownian motion, plasmas, and self-gravitating systems, quantum gases, the electronic transport in solids and, finally, semiconductors. Besides these systems that are studied in detail, concepts are applied to some modern examples including the quark–gluon plasma, the motion of bacterial suspen...

Municipal solid waste transportation optimisation with vehicle routing approach: case study of Pontianak City, West Kalimantan

Science.gov (United States)

Kamal, M. A.; Youlla, D.

2018-03-01

Municipal solid waste (MSW) transportation in Pontianak City becomes an issue that need to be tackled by the relevant agencies. The MSW transportation service in Pontianak City currently requires very high resources especially in vehicle usage. Increasing the number of fleets has not been able to increase service levels while garbage volume is growing every year along with population growth. In this research, vehicle routing optimization approach was used to find optimal and efficient routes of vehicle cost in transporting garbage from several Temporary Garbage Dump (TGD) to Final Garbage Dump (FGD). One of the problems of MSW transportation is that there is a TGD which exceed the the vehicle capacity and must be visited more than once. The optimal computation results suggest that the municipal authorities only use 3 vehicles from 5 vehicles provided with the total minimum cost of IDR. 778,870. The computation time to search optimal route and minimal cost is very time consuming. This problem is influenced by the number of constraints and decision variables that have are integer value.

Tuning the thermoelectric properties by manipulating copper in Cu2SnSe3 system

DEFF Research Database (Denmark)

Prasad K, Shyam; Rao, Ashok; Christopher, Benedict

2018-01-01

Cu2+xSnSe3 (0 ≤ x ≤ 0.08) compounds were synthesized by conventional solid-state reaction followed by spark plasma sintering (SPS) technique. Transport properties of the samples were measured as a function of temperature in the temperature range 323–773 K. As compared to Cu2SnSe3 sample, the elec......Cu2+xSnSe3 (0 ≤ x ≤ 0.08) compounds were synthesized by conventional solid-state reaction followed by spark plasma sintering (SPS) technique. Transport properties of the samples were measured as a function of temperature in the temperature range 323–773 K. As compared to Cu2SnSe3 sample...

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

International Nuclear Information System (INIS)

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

2014-01-01

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

Thermoelectric transport properties of high mobility organic semiconductors

Science.gov (United States)

Venkateshvaran, Deepak; Broch, Katharina; Warwick, Chris N.; Sirringhaus, Henning

2016-09-01

Transport in organic semiconductors has traditionally been investigated using measurements of the temperature and gate voltage dependent mobility of charge carriers within the channel of organic field-effect transistors (OFETs). In such measurements, the behavior of charge carrier mobility with temperature and gate voltage, studied together with carrier activation energies, provide a metric to quantify the extent of disorder within these van der Waals bonded materials. In addition to the mobility and activation energy, another potent but often-overlooked transport coefficient useful in understanding disorder is the Seebeck coefficient (also known as thermoelectric power). Fundamentally, the Seebeck coefficient represents the entropy per charge carrier in the solid state, and thus proves powerful in distinguishing materials in which charge carriers move freely from those where a high degree of disorder causes the induced carriers to remain trapped. This paper briefly covers the recent highlights in the field of organic thermoelectrics, showing how significant strides have been made both from an applied standpoint as well as from a viewpoint of fundamental thermoelectric transport physics. It shall be illustrated how thermoelectric transport parameters in organic semiconductors can be tuned over a significant range, and how this tunability facilitates an enhanced performance for heat-to-electricity conversion as well as quantifies energetic disorder and the nature of the density of states (DOS). The work of the authors shall be spotlighted in this context, illustrating how Seebeck coefficient measurements in the polymer indacenodithiophene-co-benzothiadiazole (IDTBT) known for its ultra-low degree of torsion within the polymer backbone, has a trend consistent with low disorder. 1 Finally, using examples of the small molecules C8-BTBT and C10-DNTT, it shall be discussed how the Seebeck coefficient can aid the estimation of the density and distribution of trap states

Solid-state characterization and dissolution properties of meloxicam-moringa coagulant-PVP ternary solid dispersions.

Science.gov (United States)

Noolkar, Suhail B; Jadhav, Namdeo R; Bhende, Santosh A; Killedar, Suresh G

2013-06-01

The effect of ternary solid dispersions of poor water-soluble NSAID meloxicam with moringa coagulant (obtained by salt extraction of moringa seeds) and polyvinylpyrrolidone on the in vitro dissolution properties has been investigated. Binary (meloxicam-moringa and meloxicam-polyvinylpyrrolidone (PVP)) and ternary (meloxicam-moringa-PVP) systems were prepared by physical kneading and ball milling and characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, and X-ray diffractometry. The in vitro dissolution behavior of meloxicam from the different products was evaluated by means of United States Pharmacopeia type II dissolution apparatus. The results of solid-state studies indicated the presence of strong interactions between meloxicam, moringa, and PVP which were of totally amorphous nature. All ternary combinations were significantly more effective than the corresponding binary systems in improving the dissolution rate of meloxicam. The best performance in this respect was given by the ternary combination employing meloxicam-moringa-PVP ratio of [1:(3:1)] prepared by ball milling, with about six times increase in percent dissolution rate, whereas meloxicam-moringa (1:3) and meloxicam-PVP (1:4) prepared by ball milling improved dissolution of meloxicam by almost 3- and 2.5-folds, respectively. The achieved excellent dissolution enhancement of meloxicam in the ternary systems was attributed to the combined effects of impartation of hydrophilic characteristic by PVP, as well as to the synergistic interaction between moringa and PVP.

The heat and moisture transport properties of wet porous media

International Nuclear Information System (INIS)

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

1989-01-01

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

Hydrogen transport in solids with traps in the case of continuum distribution of detrapping energies

International Nuclear Information System (INIS)

Krasheninnikov, S I; Smirnov, R D; Marenkov, E D; Pisarev, A A

2014-01-01

Tritium retention in the first wall material is one of the key issues in the performance of future fusion reactors. Transport of hydrogenic species in these materials is most commonly treated as diffusion affected by trapping/detrapping processes. Usually only several trap types differing in their activation energies of hydrogen release are considered (up to three types in the TMAP7 code). We suggest that in some cases (e.g. highly damaged or disordered media) the hydrogen trapping/detrapping process is better characterized by a continuum distribution of traps over their detrapping energies. Within a random walk model we show that this assumption leads to qualitative changes in hydrogen transport in solids. Using this model we explain experimental findings on temporal dependence of deuterium outgassing from tokamaks, first wall. (paper)

On the radiometric measurement of the density distribution occuring at the horizontal hydraulic transport of solid matter

International Nuclear Information System (INIS)

Goedde, E.; Weber, M.

1977-01-01

In order to estimate the phenomena of the flow in horizontal hydraulic transport of solid matter, measuring the density structure along the vertical pipe diameter is of vital interest for basic investigations. The measurement technology in mixed flows of solid matter and water is very difficult and therefore only few publications on characteristic flow profiles in horizontal pipes are known. In a research programme advanced by the Deutsche Forschungsgemeinschaft investigations were made on the possibility to measure the density profile by means of plain measuring equipment based upon radiometrics. In this paper a combination of a nuclear radiometric polar and parallel scanning method is shown to be suitable for this kind of measurements. (orig.) [de

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

Science.gov (United States)

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

2017-01-01

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

Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.

Science.gov (United States)

Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

2015-06-18

We have performed ab initio calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without self-consistent screening), Grimme's methods (D2, D3(BJ)), and the vdW-DF method. Our results reveal that dispersion correction methods are essential in understanding these complex structures with van der Waals interactions and hydrogen bonding. The calculated ground state volumes and bulk moduli show that the performance of each method is not unique, and therefore a careful examination is mandatory for interpreting theoretical predictions. This work also emphasizes the importance of quasiparticle calculations in predicting the band gap, which is obtained here with the GW approximation. We find that the obtained band gaps are ranging from 4 to 7 eV for the different compounds, indicating their insulating nature. In addition, we show the essential role of quasiparticle band structure calculations to correlate the gap with the energetic properties.

New pbysical methods used in the study of composition, electronic properties and surface phenomena of solid substances. I. Electronic spectroscopies

International Nuclear Information System (INIS)

Toderean, A; Ilonca, Gh.

1981-01-01

The discovery of different kinds of interactions between solids and fotonic, respectively electronic and ionic beams, leads to the development of many new, very sensitive, physical methods for the study of solids. This monograph tries to present some of these methods, useful in compositional analysis, in the study of electronic properties and of the surface processes of solid substances. This is done from the point of view both of physical phenomena underlying them and of the information obtainable with such methods. But the whole monograph is limited only to the methods based on the electronic properties of the elements existing in the solid probes studied and this paper presents only those of them in which the detected beam is an electronic one, like: ELS, DAPS, ILS, AES, AEAPS, INS, TSS, XPS and UPS. (authors)

Multiple-tracer tests for contaminant transport process identification in saturated municipal solid waste

International Nuclear Information System (INIS)

Woodman, N.D.; Rees-White, T.C.; Stringfellow, A.M.; Beaven, R.P.; Hudson, A.P.

2015-01-01

Highlights: • Multiple tracers were applied to saturated MSW to test dual-porosity properties. • Lithium demonstrated to be non-conservative as a tracer. • 260 mm diameter column too small to test transport properties of MSW. • The classical advection-dispersion mode was rejected due to high dispersivity. • Characteristic diffusion times did not vary with the tracer. - Abstract: Two column tests were performed in conditions emulating vertical flow beneath the leachate table in a biologically active landfill to determine dominant transport mechanisms occurring in landfills. An improved understanding of contaminant transport process in wastes is required for developing better predictions about potential length of the long term aftercare of landfills, currently measured in timescales of centuries. Three tracers (lithium, bromide and deuterium) were used. Lithium did not behave conservatively. Given that lithium has been used extensively for tracing in landfill wastes, the tracer itself and the findings of previous tests which assume that it has behaved conservatively may need revisiting. The smaller column test could not be fitted with continuum models, probably because the volume of waste was below a representative elemental volume. Modelling compared advection-dispersion (AD), dual porosity (DP) and hybrid AD–DP models. Of these models, the DP model was found to be the most suitable. Although there is good evidence to suggest that diffusion is an important transport mechanism, the breakthrough curves of the different tracers did not differ from each other as would be predicted based on the free-water diffusion coefficients. This suggested that solute diffusion in wastes requires further study

Multiple-tracer tests for contaminant transport process identification in saturated municipal solid waste

Energy Technology Data Exchange (ETDEWEB)

Woodman, N.D., E-mail: n.d.woodman@soton.ac.uk; Rees-White, T.C.; Stringfellow, A.M.; Beaven, R.P.; Hudson, A.P.

2015-04-15

Highlights: • Multiple tracers were applied to saturated MSW to test dual-porosity properties. • Lithium demonstrated to be non-conservative as a tracer. • 260 mm diameter column too small to test transport properties of MSW. • The classical advection-dispersion mode was rejected due to high dispersivity. • Characteristic diffusion times did not vary with the tracer. - Abstract: Two column tests were performed in conditions emulating vertical flow beneath the leachate table in a biologically active landfill to determine dominant transport mechanisms occurring in landfills. An improved understanding of contaminant transport process in wastes is required for developing better predictions about potential length of the long term aftercare of landfills, currently measured in timescales of centuries. Three tracers (lithium, bromide and deuterium) were used. Lithium did not behave conservatively. Given that lithium has been used extensively for tracing in landfill wastes, the tracer itself and the findings of previous tests which assume that it has behaved conservatively may need revisiting. The smaller column test could not be fitted with continuum models, probably because the volume of waste was below a representative elemental volume. Modelling compared advection-dispersion (AD), dual porosity (DP) and hybrid AD–DP models. Of these models, the DP model was found to be the most suitable. Although there is good evidence to suggest that diffusion is an important transport mechanism, the breakthrough curves of the different tracers did not differ from each other as would be predicted based on the free-water diffusion coefficients. This suggested that solute diffusion in wastes requires further study.

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

International Nuclear Information System (INIS)

Bierwagen, O.

2007-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Bierwagen, O.

2007-12-20

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

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

Energy Technology Data Exchange (ETDEWEB)

Berryman, J.G.

2007-10-02

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

Anomalous transport properties of carbon-doped EuB.sub.6./sub..

Czech Academy of Sciences Publication Activity Database

Baťková, M.; Batko, I.; Filipov, V.; Flachbart, K.; Sechovský, V.; Shitsevalova, N.; Šantavá, Eva; Šebek, Josef

2010-01-01

Roč. 118, č. 5 (2010), s. 893-894 ISSN 0587-4246 Institutional research plan: CEZ:AV0Z10100520 Keywords : magnetoresistance * thermal properties * Eu boride Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.467, year: 2010 http://przyrbwn.icm.edu.pl/APP/PDF/118/a118z5p073.pdf

Quantification of uncertainty in first-principles predicted mechanical properties of solids: Application to solid ion conductors

Science.gov (United States)

Ahmad, Zeeshan; Viswanathan, Venkatasubramanian

2016-08-01

associated with the DFT-calculated elastic properties of solid state Li-ion and Na-ion conductors.

Minimization of municipal solid waste transportation route in West Jakarta using Tabu Search method

Science.gov (United States)

Chaerul, M.; Mulananda, A. M.

2018-04-01

Indonesia still adopts the concept of collect-haul-dispose for municipal solid waste handling and it leads to the queue of the waste trucks at final disposal site (TPA). The study aims to minimize the total distance of waste transportation system by applying a Transshipment model. In this case, analogous of transshipment point is a compaction facility (SPA). Small capacity of trucks collects the waste from waste temporary collection points (TPS) to the compaction facility which located near the waste generator. After compacted, the waste is transported using big capacity of trucks to the final disposal site which is located far away from city. Problem related with the waste transportation can be solved using Vehicle Routing Problem (VRP). In this study, the shortest distance of route from truck pool to TPS, TPS to SPA, and SPA to TPA was determined by using meta-heuristic methods, namely Tabu Search 2 Phases. TPS studied is the container type with total 43 units throughout the West Jakarta City with 38 units of Armroll truck with capacity of 10 m3 each. The result determines the assignment of each truck from the pool to the selected TPS, SPA and TPA with the total minimum distance of 2,675.3 KM. The minimum distance causing the total cost for waste transportation to be spent by the government also becomes minimal.

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

Science.gov (United States)

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

2015-01-01

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

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

Science.gov (United States)

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

2015-12-01

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

Short review of high-pressure crystal growth and magnetic and electrical properties of solid-state osmium oxides

Energy Technology Data Exchange (ETDEWEB)

Yamaura, Kazunari, E-mail: YAMAURA.Kazunari@nims.go.jp [Superconducting Properties Unit, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Graduate School of Chemical Sciences and Engineering, Hokkaido University, North 10 West 8, Kita-ku, Sapporo, Hokkaido 060-0810 (Japan)

2016-04-15

High-pressure crystal growth and synthesis of selected solid-state osmium oxides, many of which are perovskite-related types, are briefly reviewed, and their magnetic and electrical properties are introduced. Crystals of the osmium oxides, including NaOsO{sub 3}, LiOsO{sub 3}, and Na{sub 2}OsO{sub 4}, were successfully grown under high-pressure and high-temperature conditions at 6 GPa in the presence of an appropriate amount of flux in a belt-type apparatus. The unexpected discovery of a magnetic metal–insulator transition in NaOsO{sub 3}, a ferroelectric-like transition in LiOsO{sub 3}, and high-temperature ferrimagnetism driven by a local structural distortion in Ca{sub 2}FeOsO{sub 6} may represent unique features of the osmium oxides. The high-pressure and high-temperature synthesis and crystal growth has played a central role in the development of solid-state osmium oxides and the elucidation of their magnetic and electronic properties toward possible use in multifunctional devices. - Graphical Abstract: Flux-grown crystals of NaOsO{sub 3} under high-pressure and high-temperature conditions in a belt-type apparatus. The crystal shows a magnetically driven metal–insulator transition at a temperature of 410 K. - Highlights: • Short review of high-pressure crystal growth of solid-state osmium oxides. • Wide variety of magnetic properties of solid-state osmium oxides. • Perovskite and related dense structures stabilized at 3–17 GPa.

Effect of Melt Convection and Solid Transport on Macrosegregation and Grain Structure in Equiaxed Al-Cu Alloys

Science.gov (United States)

Rerko, Rodney S.; deGroh, Henry C., III; Beckermann, Christoph; Gray, Hugh R. (Technical Monitor)

2002-01-01

Macrosegregation in metal casting can be caused by thermal and solutal melt convection, and the transport of unattached solid crystals. These free grains can be a result of, for example, nucleation in the bulk liquid or dendrite fragmentation. In an effort to develop a comprehensive numerical model for the casting of alloys, an experimental study has been conducted to generate benchmark data with which such a solidification model could be tested. The specific goal of the experiments was to examine equiaxed solidification in situations where sinking of grains is (and is not) expected. The objectives were: 1) experimentally study the effects of solid transport and thermosolutal convection on macrosegregation and grain size distribution patterns; and 2) provide a complete set of controlled thermal boundary conditions, temperature data, segregation data, and grain size data, to validate numerical codes. The alloys used were Al-1 wt. pct. Cu, and Al-10 wt. pct. Cu with various amounts of the grain refiner TiB2 added. Cylindrical samples were either cooled from the top, or the bottom. Several trends in the data stand out. In attempting to model these experiments, concentrating on experiments that show clear trends or differences is recommended.

Magnetic properties of ZnFe2O4 nanoparticles produced by a low-temperature solid-state reaction method

International Nuclear Information System (INIS)

Li Fashen; Wang Haibo; Wang Li; Wang Jianbo

2007-01-01

ZnFe 2 O 4 nanoparticles with average grain size ranging from 40 to 60 nm behaving superparamagnetic at room temperature have been produced using a low-temperature solid-state reaction (LTSSR) method without ball-milling process. Abnormal magnetic properties such as S-shape hysteresis loops and non-zero magnetic moments were observed. ZnFe 2 O 4 nanoparticles were also synthesized using a NaOH coprecipitation method and a PVA sol-gel method to study the relationship between the preparation processes and the magnetic properties. Spin-glass behavior was observed in the low temperature solid-state reaction produced Zn ferrite in the zero-field cooled (ZFC) measurement. Our work proves that the various preparation methods will to some extent determine the properties of magnetic nanoparticles

PRODUCTION, DIELECTRIC PROPERTY AND MICROWAVE ABSORPTION PROPERTY OF SiC(Fe SOLID SOLUTION POWDER BY SOL-GEL METHOD

Directory of Open Access Journals (Sweden)

XIAOLEI SU

2014-03-01

Full Text Available SiC(Fe solid solution powders were synthesized by sol–gel method under different reaction time, using methyltriethoxysilane as the silicon and carbon source and analytic ferric chloride as the dopant, respectively. The synthesized powders have been characterized by XRD, SEM and Raman spectra. Results show that the lattice constant decreases with increasing reaction time. The electric permittivities of SiC samples were determined in the frequency range of 8.2 ~ 12.4 GHz. Results show that the permittivity of SiC decreases with increasing reaction time. The SiC(Fe solid solution powder with reaction time of 4 h with 2 mm thickness exhibit the best microwave absorption property in X-band range (8.2 - 12.4 GHz. The microwave absorption mechanism has been discussed.

Electronic transport properties of phenylacetylene molecular junctions

International Nuclear Information System (INIS)

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

2011-01-01

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

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

Science.gov (United States)

2013-02-08

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

High-temperature thermoelectric properties of the β-As2−xBixTe3 solid solution

Directory of Open Access Journals (Sweden)

J.-B. Vaney

2016-10-01

Full Text Available Bi2Te3-based compounds are a well-known class of outstanding thermoelectric materials. β-As2Te3, another member of this family, exhibits promising thermoelectric properties around 400 K when appropriately doped. Herein, we investigate the high-temperature thermoelectric properties of the β-As2−xBixTe3 solid solution. Powder X-ray diffraction and scanning electron microscopy experiments showed that a solid solution only exists up to x = 0.035. We found that substituting Bi for As has a beneficial influence on the thermopower, which, combined with extremely low thermal conductivity values, results in a maximum ZT value of 0.7 at 423 K for x = 0.017 perpendicular to the pressing direction.

Transport properties of electrons in fractal magnetic-barrier structures

Science.gov (United States)

Sun, Lifeng; Fang, Chao; Guo, Yong

2010-09-01

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

Engineered Breast Cancer Cell Spheroids Reproduce Biologic Properties of Solid Tumors.

Science.gov (United States)

Ham, Stephanie L; Joshi, Ramila; Luker, Gary D; Tavana, Hossein

2016-11-01

Solid tumors develop as 3D tissue constructs. As tumors grow larger, spatial gradients of nutrients and oxygen and inadequate diffusive supply to cells distant from vasculature develops. Hypoxia initiates signaling and transcriptional alterations to promote survival of cancer cells and generation of cancer stem cells (CSCs) that have self-renewal and tumor-initiation capabilities. Both hypoxia and CSCs are associated with resistance to therapies and tumor relapse. This study demonstrates that 3D cancer cell models, known as tumor spheroids, generated with a polymeric aqueous two-phase system (ATPS) technology capture these important biological processes. Similar to solid tumors, spheroids of triple negative breast cancer cells deposit major extracellular matrix proteins. The molecular analysis establishes presence of hypoxic cells in the core region and expression of CSC gene and protein markers including CD24, CD133, and Nanog. Importantly, these spheroids resist treatment with chemotherapy drugs. A combination treatment approach using a hypoxia-activated prodrug, TH-302, and a chemotherapy drug, doxorubicin, successfully targets drug resistant spheroids. This study demonstrates that ATPS spheroids recapitulate important biological and functional properties of solid tumors and provide a unique model for studies in cancer research. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phonon-mediated Thermal Conductivity in Ionic Solids by Lattice Dynamics-based Methods

Energy Technology Data Exchange (ETDEWEB)

Chernatynskiy, Aleksandr [Univ. of Florida, Gainesville, FL (United States); Turney, Joseph E. [Carnegie Mellon Univ., Pittsburgh, PA (United States); McGaughey, Alan J. H. [Carnegie Mellon Univ., Pittsburgh, PA (United States); Amon, Christina H. [Univ. of Toronto, ON (Canada); Phillpot, Simon R. [Univ. of Florida, Gainesville, FL (United States)

2011-07-22

Phonon properties predicted from lattice dynamics calculations and the Boltzmann Transport Equation (BTE) are used to elucidate the thermal-transport properties of ionic materials. It is found that a rigorous treatment of the Coulombic interactions within the harmonic analysis is needed for the analysis of the phonon structure of the solid, while a short-range approximation is sufficient for the third-order force constants. The effects on the thermal conductivity of the relaxation time approximation, the classical approximation to the phonon statistics, the direct summation method for the electrostatic interactions, and the quasi-harmonic approximation to lattice dynamics are quantified. Quantitative agreement is found between predictions from molecular dynamics simulations (a method valid at temperatures above the Debye temperature) and the BTE result within quasi-harmonic approximation over a wide temperature range.

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

Science.gov (United States)

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

2016-06-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-05-15

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-09-30

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

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

Science.gov (United States)

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

1984-01-01

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

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

CERN Document Server

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

2004-01-01

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

Thermophysical properties of solid lithium hydride and its isotopic modifications

International Nuclear Information System (INIS)

Mel'nikova, T.N.

1981-01-01

The theory of the anharmonic lattice is used to calculate the thermophysical properties (thermal expansivity, lattice constant, compressibility, and elastic moduli) of all the isotopic modifications of solid lithium hydride sup(6,7)Li(H,D,T) at temperatures up to the melting point. A general analysis of isotopic effects is carried out; in particular the reverse isotopic effect in the lattice constant is explained and the isotopic effect in melting is discussed. The results of the calculations agree with available experimental data and can be used for those isotopic modifications of lithium hydride for which there exist no experimental results. (author)

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

International Nuclear Information System (INIS)

Zhu Guo-Bao; Yang Hui-Min

2016-01-01

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

Thin film properties of triphenylamine-cored dendrimers: A molecular approach to control aggregation

International Nuclear Information System (INIS)

Vamvounis, George; Pivrikas, Almantas; Shaw, Paul E.; Burn, Paul L.

2013-01-01

The solid-state photophysical and charge transport properties of two first-generation dendrimers are presented. The dendrimers are comprised of a triphenylamine core, dendrons containing a phenyl branching unit with thiophene (Dendrimer 1) or bithiophene (Dendrimer 2) moieties, and dodecyl surface groups. For Dendrimer 1, the excited state is located within the center of the dendrimer giving rise to a moderate solid-state photoluminescence quantum yield (Φ pl ) (0.13) and significant charge trapping, with both observations due to the degree of overlap of the main electroactive chromophores on adjacent dendrimers. For Dendrimer 2, the excited state is located within the dendron and in the solid-state this leads to a strongly red-shifted and weakened emission (Φ pl ∼ 0.02) due to strong intermolecular chromophore interactions. For films of Dendrimer 2 the charge mobility was higher than Dendrimer 1 but was still limited by a low density of strongly interacting electroactive chromophores. The pronounced difference between the solid-state properties of the two dendrimers is simply engineered by the addition of an extra thiophene in each of the dendrons. - Highlights: • Photophysical and charge-transport properties of two dendrimers are investigated. • Excited-state is on the center for Dendrimer 1 and on the dendron for Dendrimer 2. • Film quantum yield of luminescence is higher for Dendrimer 1. • Dendrimer 1 displays greater charge trapping at high fields

Non-local two phase flow momentum transport in S BWR

International Nuclear Information System (INIS)

Espinosa P, G.; Salinas M, L.; Vazquez R, A.

2015-09-01

The non-local momentum transport equations derived in this work contain new terms related with non-local transport effects due to accumulation, convection, diffusion and transport properties for two-phase flow. For instance, they can be applied in the boundary between a two-phase flow and a solid phase, or in the boundary of the transition region of two-phase flows where the local volume averaging equations fail. The S BWR was considered to study the non-local effects on the two-phase flow thermal-hydraulic core performance in steady-state, and the results were compared with the classical local averaging volume conservation equations. (Author)

Non-local two phase flow momentum transport in S BWR

Energy Technology Data Exchange (ETDEWEB)

Espinosa P, G.; Salinas M, L.; Vazquez R, A., E-mail: gepe@xanum.uam.mx [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Area de Ingenieria en Recursos Energeticos, Apdo. Postal 55-535, 09340 Ciudad de Mexico (Mexico)

2015-09-15

The non-local momentum transport equations derived in this work contain new terms related with non-local transport effects due to accumulation, convection, diffusion and transport properties for two-phase flow. For instance, they can be applied in the boundary between a two-phase flow and a solid phase, or in the boundary of the transition region of two-phase flows where the local volume averaging equations fail. The S BWR was considered to study the non-local effects on the two-phase flow thermal-hydraulic core performance in steady-state, and the results were compared with the classical local averaging volume conservation equations. (Author)

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

Science.gov (United States)

Experton, Juliette; Martin, Charles R

2018-05-01

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

Solid waste disposal in the soil: effects on the physical, chemical, and organic properties of soil

Directory of Open Access Journals (Sweden)

Vanessa Regina Lasaro Mangieri

2015-04-01

Full Text Available Currently, there is growing concern over the final destination of the solid waste generated by society. Landfills should not be considered the endpoint for substances contained or generated in solid waste. The sustainable use of natural resources, especially soil and water, has become relevant, given the increase in anthropogenic activities. Agricultural use is an alternative to solid waste (leachate, biosolid disposal, considering the hypothesis that the agricultural use of waste is promising for reducing waste treatment costs, promoting nutrient reuse and improving the physical and chemical conditions of soil. Thus, this literature review, based on previously published data, seeks to confirm or disprove the hypothesis regarding the promising use of solid waste in agriculture to decrease the environmental liability that challenges public administrators in the development of efficient management. The text below addresses the following subtopics after the introduction: current solid waste disposal and environmental issues, the use of solid waste in agriculture, and the effect on the physical and chemical properties of soil and on organic matter, ending with final considerations.

Experimental studies and modelling of cation interactions with solid materials: application to the MIMICC project. (Multidimensional Instrumented Module for Investigations on chemistry-transport Coupled Codes)

International Nuclear Information System (INIS)

Hardin, Emmanuelle

1999-01-01

The study of cation interactions with solid materials is useful in order to define the chemistry interaction component of the MIMICC project (Multidimensional Instrumented Module for Investigations on chemistry-transport Coupled Codes). This project will validate the chemistry-transport coupled codes. Database have to be supplied on the cesium or ytterbium interactions with solid materials in suspension. The solid materials are: a strong cation exchange resin, a natural sand which presents small impurities, and a zirconium phosphate. The cation exchange resin is useful to check that the surface complexation theory can be applied on a pure cation exchanger. The sand is a natural material, and its isotherms will be interpreted using pure oxide-cation system data, such as pure silica-cation data. Then the study on the zirconium phosphate salt is interesting because of the increasing complexity in the processes (dissolution, sorption and co-precipitation). These data will enable to approach natural systems, constituted by several complex solids which can interfere on each other. These data can also be used for chemistry-transport coupled codes. Potentiometric titration, sorption isotherms, sorption kinetics, cation surface saturation curves are made, in order to obtain the different parameters relevant to the cation sorption at the solid surface, for each solid-electrolyte-cation system. The influence of different parameters such as ionic strength, pH, and electrolyte is estimated. All the experimental curves are fitted with FITEQL code based on the surface complexation theory using the constant capacitance model, in order to give a mechanistic interpretation of the ion retention phenomenon at the solid surface. The speciation curves of all systems are plotted, using the FITEQL code too. Systems with an increasing complexity are studied: dissolution, sorption and coprecipitation coexist in the cation-salt systems. Then the data obtained on each single solid, considered

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

International Nuclear Information System (INIS)

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

2002-01-01

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

Transforming lipid-based oral drug delivery systems into solid dosage forms: an overview of solid carriers, physicochemical properties, and biopharmaceutical performance.

Science.gov (United States)

Tan, Angel; Rao, Shasha; Prestidge, Clive A

2013-12-01

The diversity of lipid excipients available commercially has enabled versatile formulation design of lipid-based drug delivery systems for enhancing the oral absorption of poorly water-soluble drugs, such as emulsions, microemulsions, micelles, liposomes, niosomes and various self-emulsifying systems. The transformation of liquid lipid-based systems into solid dosage forms has been investigated for several decades, and has recently become a core subject of pharmaceutical research as solidification is regarded as viable means for stabilising lipid colloidal systems while eliminating stringent processing requirements associated with liquid systems. This review describes the types of pharmaceutical grade excipients (silica nanoparticle/microparticle, polysaccharide, polymer and protein-based materials) used as solid carriers and the current state of knowledge on the liquid-to-solid conversion approaches. Details are primarily focused on the solid-state physicochemical properties and redispersion capacity of various dry lipid-based formulations, and how these relate to the in vitro drug release and solubilisation, lipid carrier digestion and cell permeation performances. Numerous in vivo proof-of-concept studies are presented to highlight the viability of these dry lipid-based formulations. This review is significant in directing future research work in fostering translation of dry lipid-based formulations into clinical applications.

Study of the pore filling fraction of carbazole-based hole-transporting materials in solid-state dye-sensitized solar cells

Directory of Open Access Journals (Sweden)

Marwa Ben Manaa

2016-07-01

Full Text Available Carbazole-based molecular glasses have emerged as a promising alternative to the widely used hole-transporting materials (HTM spiro-OMeTAD in solid-state dye-sensitized solar cells (DSSCs. The pore filling fraction (PFF of the mesoporous TiO2 layer by the HTM appears as a key parameter determining the final efficiency of a DSSC. In this work, the pore-filling properties of a family of carbazole-based HTMs are investigated for the first time and the photovoltaic behavior of DSSC devices (fabricated using the D102 dye is discussed in light of the present findings. It is found that N-aryl substituted 3,6-bis(diphenylaminyl-carbazole derivatives exhibit relatively low PFF of ca. 60%. Methoxy groups on the diphenylamine moieties have little influence on the PFF, indicating that the strong enhancement in power conversion efficiency (PCE is not related to an improved filling of the pores by the HTM. N-alkylated HTMs lead to higher PFF, increasing with the alkyl chain length, up to 78%.

Simultaneous measurement of local particle movement, solids concentrations and bubble properties in fluidized bed reactors using a novel fiber optical technique

Energy Technology Data Exchange (ETDEWEB)

Tayebi, Davoud

1999-12-31

This thesis develops a new method for simultaneous measurements of local flow properties in highly concentrated multiphase flow systems such as gas-solid fluidized bed reactors. The method is based on fiber optical technique and tracer particles. A particle present in the measuring volume in front of the probe is marked with a fluorescent dye. A light source illuminates the particles and the detecting fibres receive reflected light from uncoated particles and fluorescent light from the tracer particle. Using optical filters, the fluorescent light can be distinguished and together with a small fraction of background light from uncoated particles can be used for determination of local flow properties. Using this method, one can simultaneously measure the local movement of a single tracer particle, local bubble properties and the local solids volume fractions in different positions in the bed. The method is independent of the physical properties of the tracer particles. It is also independent of the local solids concentrations in the range of 0 to 60 vol.-%, but is mainly designed for highly concentrated flow systems. A computer programme that uses good signals from at least three sensors simultaneously to calculate the tracer particle velocity in two dimensions have been developed. It also calculates the bubble properties and local solids volume fractions from the same time series. 251 refs., 150 figs., 5 tabs.

Simultaneous measurement of local particle movement, solids concentrations and bubble properties in fluidized bed reactors using a novel fiber optical technique

Energy Technology Data Exchange (ETDEWEB)

Tayebi, Davoud

1998-12-31

This thesis develops a new method for simultaneous measurements of local flow properties in highly concentrated multiphase flow systems such as gas-solid fluidized bed reactors. The method is based on fiber optical technique and tracer particles. A particle present in the measuring volume in front of the probe is marked with a fluorescent dye. A light source illuminates the particles and the detecting fibres receive reflected light from uncoated particles and fluorescent light from the tracer particle. Using optical filters, the fluorescent light can be distinguished and together with a small fraction of background light from uncoated particles can be used for determination of local flow properties. Using this method, one can simultaneously measure the local movement of a single tracer particle, local bubble properties and the local solids volume fractions in different positions in the bed. The method is independent of the physical properties of the tracer particles. It is also independent of the local solids concentrations in the range of 0 to 60 vol.-%, but is mainly designed for highly concentrated flow systems. A computer programme that uses good signals from at least three sensors simultaneously to calculate the tracer particle velocity in two dimensions have been developed. It also calculates the bubble properties and local solids volume fractions from the same time series. 251 refs., 150 figs., 5 tabs.

Fundamental properties of flotation frothers and their effect on flotation

Energy Technology Data Exchange (ETDEWEB)

Melo, F.; Laskowski, J.S. [University of British Columbia, Vancouver, BC (Canada). Dept. of Mining Engineering

2006-05-15

Froth flotation process requires the use of frothers. These important flotation agents are commonly characterized as either 'selective' or 'powerful' and are chosen following general guidelines and verification by laboratory and/or pilot plant tests. Fundamental properties of the flotation frothers have been extensively studied over the last few years. These studies have led to the development of standardised procedures to characterise frothers in terms of their ability to reduce bubble size and to increase foam stability. In this research project, the performance of five frothers in flotation of coal is evaluated and related to the fundamental properties of these agents. Since the recovery of water in the concentrate is closely related to the non-selective transport of solid particles by entrainment, the tested frothers are also assessed in terms of their ability to promote the transport of water towards the froth collection zone, both in absence and in presence of solids.

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

International Nuclear Information System (INIS)

Mund, E.H.

1991-01-01

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

Preparation and characterization of a novel polymeric based solid-solid phase change heat storage material

International Nuclear Information System (INIS)

Xi Peng; Gu Xiaohua; Cheng Bowen; Wang Yufei

2009-01-01

Here we reported a two-step procedure for preparing a novel polymeric based solid-solid phase change heat storage material. Firstly, a copolymer monomer containing a polyethylene glycol monomethyl ether (MPEG) phase change unit and a vinyl unit was synthesized via the modification of hydrogen group of MPEG. Secondly, by copolymerization of the copolymer monomer and phenyl ethylene, a novel polymeric based solid-solid phase change heat storage material was prepared. The composition, structure and properties of the novel polymeric based solid-solid phase change material were characterized by IR, 1 H NMR, DSC, WAXD, and POM, respectively. The results show that the novel polymeric based solid-solid phase change material possesses of excellent crystal properties and high phase change enthalpy.

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

Indian Academy of Sciences (India)

TECS

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

Solid State Division

International Nuclear Information System (INIS)

Green, P.H.; Watson, D.M.

1989-08-01

This report contains brief discussions on work done in the Solid State Division of Oak Ridge National Laboratory. The topics covered are: Theoretical Solid State Physics; Neutron scattering; Physical properties of materials; The synthesis and characterization of materials; Ion beam and laser processing; and Structure of solids and surfaces

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

Energy Technology Data Exchange (ETDEWEB)

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

1997-05-01

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

Structural and robustness properties of smart-city transportation networks

International Nuclear Information System (INIS)

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

2015-01-01

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

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

International Nuclear Information System (INIS)

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

2008-01-01

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

Effect of oxygen vacancies on magnetic and transport properties of Sr2IrO4

Science.gov (United States)

Dwivedi, Vinod Kumar; Mukhopadhyay, Soumik

2018-05-01

Iridates have recently attracted growing interest because of their potential for realizing various interesting phases like interaction driven Mott-type insulator and magnetically driven Slater-type. In this paper, we present the magnetic and electrical transport properties of polycrystalline Sr2IrO4 synthesized by solid state reaction route. We find a ferromagnetic transition at 240 K. The Curie-Weiss law behavior hold good above the magnetic transition temperature TMag = 240 K with a small effective paramagnetic magnetic moment μeff = 0.25 µB/f.u. and a Curie-Weiss temperature, θCW = +100 K. Zero field cooled (ZFC) magnetization shows a gradual dcrease below 150 K, while same for field cooled (FC) below 50 K. Interestingly, below temperatures, ⁓ 10 K, a sharp increase in ZFC and FC magnetization can be seen. A temperature dependent resistivity reveals insulating behavior followed by power law mechanism. The sintering of sample in air leads to the very low value of resistivity is likely related to Sr or oxygen vacancies.

Modification of solid-state property of sulfasalazine by using the supercritical antisolvent process

Science.gov (United States)

Wu, Wei-Yi; Su, Chie-Shaan

2017-02-01

In this study, the supercritical antisolvent (SAS) process was used to recrystallize an active pharmaceutical ingredient, sulfasalazine, to modify the solid-state properties including particle size, crystal habit and polymorphic form. Supercritical CO2 and tetrahydrofuran were used as the antisolvent and solvent, respectively. SAS results obtained from different operating temperatures (35, 45, 55 and 65 °C) were compared and discussed. The results indicate that at 55 °C, spherical sulfasalazine crystals were produced and that their mean particle size was micronized to approximately 1 μm. In addition, according to the analytical results of powder X-ray diffractometry (PXRD), a novel polymorphic form of sulfasalazine was obtained after SAS. Furthermore, the spectroscopic and thermal behavior of produced sulfasalazine crystals were also studied by Fourier transform infrared spectrometry (FTIR), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Finally, SAS results obtained from different operating temperature was discussed on the basis of the mixture critical point (MCP) of CO2 and tetrahydrofuran. Operation at slightly higher than the MCP is favorable for recrystallization of sulfasalazine through SAS. These results demonstrate that the SAS process is an efficient tool for controlling and modifying the solid-state property of sulfasalazine.

Solid State Division

Energy Technology Data Exchange (ETDEWEB)

Green, P.H.; Watson, D.M. (eds.)

1989-08-01

This report contains brief discussions on work done in the Solid State Division of Oak Ridge National Laboratory. The topics covered are: Theoretical Solid State Physics; Neutron scattering; Physical properties of materials; The synthesis and characterization of materials; Ion beam and laser processing; and Structure of solids and surfaces. (LSP)

Transport properties in monolayer-bilayer-monolayer graphene planar junctions

Institute of Scientific and Technical Information of China (English)

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

2017-01-01

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

Fundamentals of amorphous solids structure and properties

CERN Document Server

Stachurski, Zbigniew H

2014-01-01

Long awaited, this textbook fills the gap for convincing concepts to describe amorphous solids. Adopting a unique approach, the author develops a framework that lays the foundations for a theory of amorphousness. He unravels the scientific mysteries surrounding the topic, replacing rather vague notions of amorphous materials as disordered crystalline solids with the well-founded concept of ideal amorphous solids. A classification of amorphous materials into inorganic glasses, organic glasses, glassy metallic alloys, and thin films sets the scene for the development of the model of ideal amorph

Solid Matter

CERN Document Server

Angelo, Joseph A

2011-01-01

Supported by a generous quantity of full-color illustrations and interesting sidebars, Solid Matter introduces the basic characteristics and properties of solid matter. It briefly describes the cosmic connection of the elements, leading readers through several key events in human pre-history that resulted in more advanced uses of matter in the solid state. Chapters include:. -Solid Matter: An Initial Perspective. -Physical Behavior of Matter. -The Gravity of Matter. -Fundamentals of Materials Science. -Rocks and Minerals. -Metals. -Building Materials. -Carbon Earth's Most Versatile Element. -S

Thermophysical properties of uranium dioxide - Version 0 for peer review

International Nuclear Information System (INIS)

Fink, J.K.; Petri, M.C.

1997-02-01

Data on thermophysical properties of solid and liquid UO 2 have been reviewed and critically assessed to obtain consistent thermophysical property recommendations for inclusion in the International Nuclear Safety Center Database on the World Wide Web (http://www.insc.anl.gov.). Thermodynamic properties that have been assessed are enthalpy, heat capacity, melting point, enthalpy of fusion, thermal expansion, density, surface tension, and vapor pressure. Transport properties that have been assessed are thermal conductivity, thermal diffusivity, viscosity, and emissivity. Summaries of the recommendations with uncertainties and detailed assessments for each property are included in this report and in the International Nuclear Safety Center Database for peer review. The assessments includes a review of the experiments and data, an examination of previous recommendations, the basis for selecting recommendations, a determination of uncertainties, and a comparison of recommendations with data and with previous recommendations. New data and research that have led to new recommendations include thermal expansion and density measurements of solid and liquid UO 2 , derivation of physically-based equations for the thermal conductivity of solid UO 2 , measurements of the heat capacity of liquid UO 2 , and measurements and analysis of the thermal conductivity of liquid UO 2

Influence of lanthanium atoms on the physico-chemical properties of GeS0,5Se0,5 solid solutions

International Nuclear Information System (INIS)

Murguzov, M.I.; Alakbarov, A.S.; Bayramov, R.B.

2010-01-01

By the methods of physical-chemical analysis (DTA, X-ray, MSA, as well as measurement of microhardness and density determination) the influence of La on the physico-chemical properties of solid solutions (GeS 0 ,5Se 0 ,5) 1 -x(La) x was studied and its microdiagram was plotted. At room temperature the GeS 0 ,5Se 0 ,5 based solid solid solution extent to 4 at. percent La. The dependence of lanthane microhardness was studied

Solid waste management: an overview

International Nuclear Information System (INIS)

Ayoub, G.M.

1995-01-01

The source, effect and characterization of solid wastes are discussed. Constituents of municipal solid wastes and a comparative compositions of municipal solid waste with some data on Lebanon are given. Collection, transport and processing practices are next introduced. Finally treatment and disposal techniques are presented with emphasis on the solid waste as energy source and as material source. Methods of recycling are evaluated in respect with their environmental impact. 7 refs. 2 tabs

Toward an accurate description of solid-state properties of superheavy elements

Directory of Open Access Journals (Sweden)

Schwerdtfeger Peter

2016-01-01

Full Text Available In the last two decades cold and hot fusion experiments lead to the production of new elements for the Periodic Table up to nuclear charge 118. Recent developments in relativistic quantum theory have made it possible to obtain accurate electronic properties for the trans-actinide elements with the aim to predict their potential chemical and physical behaviour. Here we report on first results of solid-state calculations for Og (element 118 to support future atom-at-a-time gas-phase adsorption experiments on surfaces such as gold or quartz.

Effect of the reaction medium on the properties of solid catalysts

Energy Technology Data Exchange (ETDEWEB)

Boreskov, G.K.

1980-01-01

The effect of the reaction medium on the properties of solid catalysts, such as bulk or supported metals, alloys, or metal oxides, include variations in surface composition, structure, and catalytic properties due to catalyst interaction with the reactants. This interaction leads to the establishment of a steady state, which is determined by the composition of the reaction medium and temperature, but is independent of the initial state of the catalyst. This steady state for a catalyst of a given chemical composition is characterized by an approximately constant specific activity in most chemical reactions, which is almost independent of the preparation method, surface area, or crystal size of the catalyst. The structurally sensitive reactions, which occur only on limited segments of catalyst surface characterized by specific structures, are the exception. The effects of the variations in catalytic properties caused by the reaction medium on the steady-state and nonsteady-state reaction kinetics are also discussed based on the results obtained for oxidative dehydrogenation of 1-butene over an iron/antimony oxide catalyst.

Studies on transport properties of copper doped tungsten diselenide single crystals

Science.gov (United States)

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

2012-02-01

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

Study of the optical properties of solid tissue phantoms using single and double integrating sphere systems

CSIR Research Space (South Africa)

Monem, S

2015-12-01

Full Text Available light propagation mechanisms inside the tissues. In this work, two calibration models based on measurements adopting integrating sphere systems have been used to determine the optical properties of the studied solid phantoms. Integrating sphere...

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

KAUST Repository

Saeed, Yasir

2014-05-11

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

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.

Transport, Structural and Mechanical Properties of Quaternary FeVTiAl Alloy

Science.gov (United States)

Bhat, Tahir Mohiuddin; Gupta, Dinesh C.

2016-11-01

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

Properties of solid polymer electrolyte fluorocarbon film. [used in hydrogen/oxygen fuel cells

Science.gov (United States)

Alston, W. B.

1973-01-01

The ionic fluorocarbon film used as the solid polymer electrolyte in hydrogen/oxygen fuel cells was found to exhibit delamination failures. Polarized light microscopy of as-received film showed a lined region at the center of the film thickness. It is shown that these lines were not caused by incomplete saponification but probably resulted from the film extrusion process. The film lines could be removed by an annealing process. Chemical, physical, and tensile tests showed that annealing improved or sustained the water contents, spectral properties, thermo-oxidative stability, and tensile properties of the film. The resistivity of the film was significantly decreased by the annealing process.

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

Energy Technology Data Exchange (ETDEWEB)

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

1997-07-01

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

Effect of surface states of layered double hydroxides on conductive and transport properties of nanocomposite polymer electrolytes

International Nuclear Information System (INIS)

Liao, C.-S.; Ye, W.-B.

2004-01-01

All solid-state poly(ethylene oxide) (PEO) nanocomposite electrolytes were made containing nanoscale fillers of layered double hydroxides (LDHs). Two kinds of LDHs with different surface states were prepared by aqueous co-precipitation method. The LDHs were added into PEO matrix to study the structures, conductivities and ionic transport properties of nanocomposite electrolytes. The structures of LDHs were characterized by infrared spectra, thermogravimetric analysis and wide-angle X-ray diffraction. With enhanced compatibility of LDH sheets by oligo(ethylene oxide) surface modification, the PEO/OMLDH nanocomposite electrolyte exhibits an amorphous morphology and an enhancement of conductivity by three orders of magnitude as compared to pure PEO electrolyte. The lithium ion transference number T Li + of PEO/LDH nanocomposite electrolyte measured with a value of 0.42 is two times higher than the one of pure PEO electrolyte, which can be attributed to the Lewis acid-base interaction between surface states of metal hydroxides and counter anions of lithium salts

Magnetic and electrical properties in BaNiS2-type solid solutions

International Nuclear Information System (INIS)

Irizawa, Akinori; Yoshimura, Kazuyoshi; Kosuge, Koji

2000-01-01

The magnetic and electrical properties are reported in the new solid solutions BaCo 1-x Cu x S 2 and BaNi 1-x Fe x S 2 . Both compounds show spin-glass-like behavior, although the type of spin frustrations is different with each other. BaCo 1-x Cu x S 2 shows a competition type spin-glass behavior with reentrant phenomenon from antiferromagnetic to spin-glass at low temperatures. BaNi 1-x Fe x S 2 shows a dilute type spin-glass behavior together with super-paramagnetic properties. The temperature variation of 57 Fe Moessbauer spectra in BaNi 0.8 Fe 0.2 S 2 is explicable in a framework of cluster-glass. (author)

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.

Physical properties of the tetragonal CuMnAs: A first-principles study

Czech Academy of Sciences Publication Activity Database

Máca, František; Kudrnovský, Josef; Drchal, Václav; Carva, K.; Baláž, P.; Turek, I.

2017-01-01

Roč. 96, č. 9 (2017), s. 1-8, č. článku 094406. ISSN 2469-9950 R&D Projects: GA ČR GB14-37427G Grant - others:GA MŠk(CZ) LM2015042 Institutional support: RVO:68378271 Keywords : first-principles calculations * defects * CuMnAs * transport properties Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.836, year: 2016

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.

First-Principles Modeling of ThO2 Solid Solutions with Oxides of Trivalent Cations

Science.gov (United States)

Alexandrov, Vitaly; Asta, Mark; Gronbech-Jensen, Niels

2010-03-01

Solid solutions formed by doping ThO2 with oxides of trivalent cations, such as Y2O3 and La2O3, are suitable for solid electrolyte applications, similar to doped zirconia and ceria. ThO2 has also been gaining much attention as an alternative to UO2 in nuclear energy applications, the aforementioned trivalent cations being important fission products. In both cases the mixing energetics and short-range ordering/clustering are key to understanding structural and transport properties. Using first-principles atomistic calculations, we address intra- and intersublattice interactions for both cation and anion sublattices in ThO2-based fluorite-type solid solutions and compare the results with similar modeling studies for related trivalent-doped zirconia systems.

Electronic and transport properties of kinked graphene