Characterization of transport properties in uranium dioxide: the case of the oxygen auto-diffusion
International Nuclear Information System (INIS)
Fraczkiewicz, M.; Baldinozzi, G.
2008-01-01
Point defects in uranium dioxide which control the transport phenomena are still badly known. The aim of this work is to show how in carrying out several experimental techniques, it is possible to demonstrate both the existence and to determine the nature (charge and localization) of predominant defects responsible of the transport phenomena in a fluorite-type structure oxide. The oxygen diffusion in the uranium dioxide illustrates this. In the first part of this work, the accent is put on the electric properties of uranium dioxide and more particularly on the variation laws of the electric conductivity in terms of temperature, of oxygen potential and of the impurities amounts present in the material. These evolutions are connected to point and charged complex defects models and the pertinence of these models is discussed. Besides, it is shown how the electric conductivity measurements can allow to define oxygen potential domains in which the concentrations in electronic carriers are controlled. This characterization being made, it is shown that the determination of the oxygen intrinsic diffusion coefficient and particularly its dependence to the oxygen potential and to the amount of impurity, allows to determine the main defect responsible to the atomic diffusion as well as its nature and its charge. In the second part, the experimental techniques to determine the oxygen diffusion coefficient are presented: there are the isotopic exchange technique for introducing the tracer in the material, and two techniques to characterize the diffusion profiles (SIMS and NRA). Examples of preliminary results are given for mono and polycrystalline samples. At last, from this methodology on uranium dioxide, studies considered to quantify the thermal and physicochemical effects are presented. Experiments considered with the aim to characterize the radiation diffusion in uranium dioxide are presented too. (O.M.)
Study of effective transport properties of fresh and aged gas diffusion layers
Bosomoiu, Magdalena; Tsotridis, Georgios; Bednarek, Tomasz
2015-07-01
Gas diffusion layers (GDLs) play an important role in proton exchange membrane fuel cells (PEMFCs) for the diffusion of reactant and the removal of product water. In the current study fresh and aged GDLs (Sigracet® GDL34BC) were investigated by X-ray computed tomography to obtain a representative 3D image of the real GDL structure. The examined GDL samples are taken from areas located under the flow channel and under the land. Additionally, a brand new Sigracet® GDL34BC was taken as a reference sample in order to find out the impact of fuel cell assembly on GDL. The produced 3D image data were used to calculate effective transport properties such as thermal and electrical conductivity, diffusivity, permeability and capillary pressure curves of the dry and partially saturated GDL. The simulation indicates flooding by product water occurs at contact angles lower than 125° depending on sample porosity. In addition, GDL anisotropy significantly affects the permeability as well as thermal and electrical conductivities. The calculated material bulk properties could be next used as input for CFD modelling of PEM fuel cells where GDL is usually assumed layer-like and homogeneous. Tensor material parameters allow to consider GDL anisotropy and lead to more realistic results.
Crossover properties of a one-dimensional reaction-diffusion process with a transport current
International Nuclear Information System (INIS)
Fortin, Jean-Yves
2014-01-01
1D non-equilibrium models of particles subjected to a coagulation-diffusion process are important in understanding non-equilibrium dynamics, and fluctuation-dissipation relations. We consider in this paper transport properties in finite and semi-infinite one-dimensional chains. A set of particles freely hop between nearest-neighbor sites, with the additional condition that, when two particles meet, they merge instantaneously into one particle. A localized source of particle-current is imposed at the origin as well as a non-symmetric hopping rate between the left and right directions (particle drift). This model was previously studied with exact results for the particle density by Hinrichsen et al [1] in the long-time limit. We are interested here in the crossover process between a scaling regime and long-time behavior, starting with a chain filled with particles. As in the previous reference [1], we employ the empty-interval-particle method, where the probability of finding an empty interval between two given sites is considered. However a different method is developed here to treat the boundary conditions by imposing the continuity and differentiability of the interval probability, which allows for a closed and unique solution, especially for any given initial particle configuration. In the finite size case, we find a crossover between the scaling regime and two different exponential decays for the particle density as a function of the input current. Precise asymptotic expressions for the particle density and coagulation rate are given. (paper)
International Nuclear Information System (INIS)
Savic, S.M.; Aleksic, O.S.; Nikolic, M.V.; Lukovic, D.T.; Pejovic, V.Z.; Nikolic, P.M.
2006-01-01
Thermal diffusivity and electron transport parameters of sintered NTC samples were determined by the photoacoustic (PA) technique. Powder mixtures composed of MnO, NiO, CoO and Fe 2 O 3 were milled to nanometer particle size. NTC discs were dry powder pressed and sintered at different temperatures in the range from 900 deg. C to 1300 deg. C for 30 min. A second group of NTC discs was sintered at 1200 deg. C with the sintering time varying from 30 min to 360 min. These NTC samples were polished and exposed to a chopped laser beam in order to plot a response in the acoustic range. The thermal diffusivity of sintered NTC layers based on a metal oxide powder mixture was measured at room temperature by the photoacoustic technique. An increase of thermal diffusivity with the sintering temperature and time of sintering was observed
Energy Technology Data Exchange (ETDEWEB)
Savic, S.M. [Institute of Technical Sciences of SASA, Knez Mihailova 35/IV, 11000 Belgrade (Serbia); Aleksic, O.S. [Center for Multidisciplinary Studies of the University of Belgrade, Kneza Viseslava 1, 11000 Belgrade (Serbia); Nikolic, M.V. [Center for Multidisciplinary Studies of the University of Belgrade, Kneza Viseslava 1, 11000 Belgrade (Serbia); Lukovic, D.T. [Institute of Technical Sciences of SASA, Knez Mihailova 35/IV, 11000 Belgrade (Serbia); Pejovic, V.Z. [Center for Multidisciplinary Studies of the University of Belgrade, Kneza Viseslava 1, 11000 Belgrade (Serbia); Nikolic, P.M. [Institute of Technical Sciences of SASA, Knez Mihailova 35/IV, 11000 Belgrade (Serbia)]. E-mail: nikolic@sanu.ac.yu
2006-07-15
Thermal diffusivity and electron transport parameters of sintered NTC samples were determined by the photoacoustic (PA) technique. Powder mixtures composed of MnO, NiO, CoO and Fe{sub 2}O{sub 3} were milled to nanometer particle size. NTC discs were dry powder pressed and sintered at different temperatures in the range from 900 deg. C to 1300 deg. C for 30 min. A second group of NTC discs was sintered at 1200 deg. C with the sintering time varying from 30 min to 360 min. These NTC samples were polished and exposed to a chopped laser beam in order to plot a response in the acoustic range. The thermal diffusivity of sintered NTC layers based on a metal oxide powder mixture was measured at room temperature by the photoacoustic technique. An increase of thermal diffusivity with the sintering temperature and time of sintering was observed.
International Nuclear Information System (INIS)
Perovic, N.L.; Maglic, K.D.; Stanimirovic, A.M.; Vukovic, G.S.
1995-01-01
The study of the thermophysical properties of AISI 321 stainless steel was the last part of work within the IAEA-coordinated Research Programme for the Establishment of a Database of Thermophysical Properties of LW and HW Reactor Materials (IAEA CRP) effected at the Institute of Nuclear Sciences Vinca (NIV). The AISI 321 stainless steel belongs to the group of construction materials whose thermophysical and calorimetric properties have significance for the IAEA CRP. Because there have been few investigations of the thermal properties of this material, the CRP foresaw the need for new measurements, which are reported in this paper. Experimental research performed at NIV consisted of the investigation of thermal diffusivity, electric resistivity, and specific heat capacity of this austenitic stainless steel. The thermal diffusivity was measured by the laser pulse technique, and the elastic resistivity and specific heat capacity were determined by use of millisecond-resolution pulse calorimetry. All measurements were performed from ambient temperature to above 1000 o C, within which temperature range the material maintains its structure and stable thermophysical properties. Values for the thermal conductivity were computed from data on the thermal diffusivity, specific heat capacity, and the room-temperature density. (author)
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
Keyes, Joseph T; Simon, Bruce R; Vande Geest, Jonathan P
2013-04-01
Arterial wall mass transport properties dictate local distribution of biomolecules or locally delivered dugs. Knowing how these properties vary between coronary artery locations could provide insight into how therapy efficacy is altered between arterial locations. We introduced an indocarbocyanine drug surrogate to the lumens of left anterior descending and right coronary (LADC; RC) arteries from pigs with or without a pressure gradient. Interstitial fluorescent intensity was measured on live samples with multiphoton microscopy. We also measured binding to porcine coronary SMCs in monoculture. Diffusive transport constants peaked in the middle sections of the LADC and RC arteries by 2.09 and 2.04 times, respectively, compared to the proximal and distal segments. There was no statistical difference between the average diffusivity value between LADC and RC arteries. The convection coefficients had an upward trend down each artery, with the RC being higher than the LADC by 3.89 times. This study demonstrates that the convective and diffusive transport of lipophilic molecules changes between the LADC and the RC arteries as well as along their length. These results may have important implications in optimizing drug delivery for the treatment of coronary artery disease.
International Nuclear Information System (INIS)
Walter, G.R.
1982-10-01
Theoretical and experimental studies of the chemical and physical factors which affect molecular diffusion of dissolved substances from fractures into a tuffaceous rock matrix have been made on rocks from G-Tunnel and Yucca Mountain at the Nevada Test Site (NTS). A variety of groundwater tracers, which may be useful in field tests at the NTS, have also been developed and tested. Although a number of physical/chemical processes may cause nonconvective transport of dissolved species from fractures into the tuff matrix, molecular diffusion seems to be the most important process. Molecular diffusion in these rocks is controlled by the composition of the groundwater through multicomponent effects and several rock properties. The porosities of the samples studied ranged from about 0.1 to 0.4. The constrictivity-tortuosity parameter ranged from 0.1 and 0.3 and effective matrix-diffusion coefficients were measured to be between 2 to 17. x 10 -7 c, 2 /s for sodium halides and sodium pentafluorobenzoate. Total porosity was found to be the principle factor accounting for the variation in effective diffusion coefficients. The constrictivity-tortuosity factor was found to have a fair correlation (r = 0.75) with the median pore diameters measured by mercury intrusion. Measurements of bulk-rock electrical impedance changes with frequency indicate that the constrictivity factor has a maximum value of 0.8 to 1, but may be smaller. If the larger values are correct, then the diffusion paths in tuff are more tortuous than in granular media. Computation of the full diffusion-coefficient matrix for various tracers in J-13 well water from the NTS indicates coupling of the diffusion fluxes of all ionic species. These effects are being incorporated into a numerical model of multicomponent-matrix diffusion
International Nuclear Information System (INIS)
Bobe, Jean-Marc
1995-01-01
This research thesis addresses the study of electric and diffusion properties of fluoride and fluorine-oxide glasses based on zirconium tetrafluoride, and more specifically in the case either of glasses free of alkaline fluoride, or of glasses containing lithium fluoride or sodium fluoride. Some techniques have been systematically used for this purpose: impedance spectroscopy, and NMR of Fluorine 19, lithium 7 or sodium 23 atoms. The objectives were to determine: 1) the presence or absence of different sites for fluorine ions and, should the occasion occurs, the distribution of these ions among the different sites; 2) the nature and number of mobile ions within these materials; 3) the role played by alkaline ions in these materials. After a presentation of experimental techniques, the author reports the comparative study of electric and diffusion properties of some sets of fluorinated glasses free of alkaline fluoride, and, for comparative purposes, of some crystallized phases having a similar composition. Two chapters respectively address the study of fluorinated glasses containing sodium fluoride and of fluorinated glasses containing sodium fluoride. Then, by applying the Almond-West model to some glasses containing NaF, conductivity parameters (number of carriers, mobility, entropic factor, and so on) have been assessed for a wide range of temperatures and frequencies. Movements of F ions determined by impedance spectroscopy are compared with those obtained by NMR. [fr
Experimental characterization of the water transport properties of PEM fuel cells diffusion media
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.
International Nuclear Information System (INIS)
Kim, In Chan; Cule, Dinko; Torquato, Salvatore
2000-01-01
In a recent paper [C. DeW. Van Siclen, Phys. Rev. E 59, 2804 (1999)], a random-walk algorithm was proposed as the best method to calculate transport properties of composite materials. It was claimed that the method is applicable both to discrete and continuum systems. The limitations of the proposed algorithm are analyzed. We show that the algorithm does not capture the peculiarities of continuum systems (e.g., ''necks'' or ''choke points'') and we argue that it is the stochastic analog of the finite-difference method. (c) 2000 The American Physical Society
Diffusion coefficient for anomalous transport
International Nuclear Information System (INIS)
1986-01-01
A report on the progress towards the goal of estimating the diffusion coefficient for anomalous transport is given. The gyrokinetic theory is used to identify different time and length scale inherent to the characteristics of plasmas which exhibit anomalous transport
DEFF Research Database (Denmark)
Hinsche, Nicki Frank; Rittweger, Florian; Hölzer, Martin
2016-01-01
The scope of this review is to present the recent progress in the understanding of the microscopic origin of thermoelectric transport in semiconducting heterostructures and to identify and elucidate mechanisms which could lead to enhanced thermoelectric conversion efficiency. Based on first-princ...
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)
Photoinduced diffusion molecular transport
Energy Technology Data Exchange (ETDEWEB)
Rozenbaum, Viktor M., E-mail: vik-roz@mail.ru, E-mail: litrakh@gmail.com [Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Generala Naumova St. 17, Kiev 03164 (Ukraine); Dekhtyar, Marina L. [Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Murmanskaya St. 5, Kiev 02094 (Ukraine); Lin, Sheng Hsien [Department of Applied Chemistry, National Chiao Tung University, 1001 Ta Hsuen Road, Hsinchu 300, Taiwan (China); Trakhtenberg, Leonid I., E-mail: vik-roz@mail.ru, E-mail: litrakh@gmail.com [Semenov Institute of Chemical Physics, Russian Academy of Sciences, Kosygin Street 4, Moscow 119991, Russia and Moscow Institute of Physics and Technology (State University), Institutskii Per. 9, Dolgoprudnyi, Moscow Region 141700 (Russian Federation)
2016-08-14
We consider a Brownian photomotor, namely, the directed motion of a nanoparticle in an asymmetric periodic potential under the action of periodic rectangular resonant laser pulses which cause charge redistribution in the particle. Based on the kinetics for the photoinduced electron redistribution between two or three energy levels of the particle, the time dependence of its potential energy is derived and the average directed velocity is calculated in the high-temperature approximation (when the spatial amplitude of potential energy fluctuations is small relative to the thermal energy). The thus developed theory of photoinduced molecular transport appears applicable not only to conventional dichotomous Brownian motors (with only two possible potential profiles) but also to a much wider variety of molecular nanomachines. The distinction between the realistic time dependence of the potential energy and that for a dichotomous process (a step function) is represented in terms of relaxation times (they can differ on the time intervals of the dichotomous process). As shown, a Brownian photomotor has the maximum average directed velocity at (i) large laser pulse intensities (resulting in short relaxation times on laser-on intervals) and (ii) excited state lifetimes long enough to permit efficient photoexcitation but still much shorter than laser-off intervals. A Brownian photomotor with optimized parameters is exemplified by a cylindrically shaped semiconductor nanocluster which moves directly along a polar substrate due to periodically photoinduced dipole moment (caused by the repetitive excited electron transitions to a non-resonant level of the nanocylinder surface impurity).
International Nuclear Information System (INIS)
Fichot, Floriana; Duval, Fabiena; Garcia, Aureliena; Belloni, Julien; Quintard, Michel
2005-01-01
Full text of publication follows: In the framework of its research programme on severe nuclear reactor accidents, IRSN investigates the water flooding of an overheated porous bed, where complex two-phase flows are likely to exist. The goal is to describe the flow with a general model, covering rods and debris beds regions in the vessel. A better understanding of the flow at the pore level appears to be necessary in order to justify and improve closure laws of macroscopic models. Although the Direct Numerical Simulation (DNS) of two-phase flows is possible with several methods, applications are now limited to small computational domains, typically of the order of a few centimeters. Therefore, numerical solutions at the reactor scale can only be obtained by using averaged models. Volume averaging is the most traditional way of deriving such models. For nuclear safety codes, a control volume must include a few rods or a few debris particles, with a characteristic dimension of a few centimeters. The difficulty usually met with averaged models is the closure of several transport or source terms which appear in the averaged conservation equations (for example the interfacial drag or the heat transfers between phases) [2]. In the past, the closure of these terms was obtained, when possible, from one-dimensional experiments that allowed measurements of heat flux or pressure drops. For more complex flows, the experimental measurement of local parameters is often impossible and the effective properties cannot be determined easily. An alternative way is to perform 'numerical experiments' with numerical simulations of the local flow. As mentioned above, the domain of application of DNS corresponds to the size of control volumes necessary to derive averaged models. Therefore DNS appears as a powerful tool to investigate the local features of a two-phase flow in complex geometries. Diffuse interface methods provide a way to model flows with interfacial phenomena through an
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
Diffusive charge transport in graphene
Chen, Jianhao
The physical mechanisms limiting the mobility of graphene on SiO 2 are studied and printed graphene devices on a flexible substrate are realized. Intentional addition of charged scattering impurities is used to study the effects of charged impurities. Atomic-scale defects are created by noble-gas ions irradiation to study the effect of unitary scatterers. The results show that charged impurities and atomic-scale defects both lead to conductivity linear in density in graphene, with a scattering magnitude that agrees quantitatively with theoretical estimates. While charged impurities cause intravalley scattering and induce a small change in the minimum conductivity, defects in graphene scatter electrons between the valleys and suppress the minimum conductivity below the metallic limit. Temperature-dependent measurements show that longitudinal acoustic phonons in graphene produce a small resistivity which is linear in temperature and independent of carrier density; at higher temperatures, polar optical phonons of the SiO2 substrate give rise to an activated, carrier density-dependent resistivity. Graphene is also made into high mobility transparent and flexible field effect device via the transfer-printing method. Together the results paint a complete picture of charge carrier transport in graphene on SiO2 in the diffusive regime, and show the promise of graphene as a novel electronic material that have potential applications not only on conventional inorganic substrates, but also on flexible substrates.
Determination of Matrix Diffusion Properties of Granite
International Nuclear Information System (INIS)
Holtta, Pirkko; Siitari-Kauppi, Marja; Huittinen, Nina; Poteri, Antti
2007-01-01
Rock-core column experiments were introduced to estimate the diffusion and sorption properties of Kuru Grey granite used in block-scale experiments. The objective was to examine the processes causing retention in solute transport through rock fractures, especially matrix diffusion. The objective was also to estimate the importance of retention processes during transport in different scales and flow conditions. Rock-core columns were constructed from cores drilled into the fracture and were placed inside tubes to form flow channels in the 0.5 mm gap between the cores and the tube walls. Tracer experiments were performed using uranin, HTO, 36 Cl, 131 I, 22 Na and 85 Sr at flow rates of 1-50 μL.min -1 . Rock matrix was characterized using 14 C-PMMA method, scanning electron microscopy (SEM), energy dispersive X-ray micro analysis (EDX) and the B.E.T. method. Solute mass flux through a column was modelled by applying the assumption of a linear velocity profile and molecular diffusion. Coupling of the advection and diffusion processes was based on the model of generalised Taylor dispersion in the linear velocity profile. Experiments could be modelled applying a consistent parameterization and transport processes. The results provide evidence that it is possible to investigate matrix diffusion at the laboratory scale. The effects of matrix diffusion were demonstrated on the slightly-sorbing tracer breakthrough curves. Based on scoping calculations matrix diffusion begins to be clearly observable for non-sorbing tracer when the flow rate is 0.1 μL.min -1 . The experimental results presented here cannot be transferred directly to the spatial and temporal scales that prevail in an underground repository. However, the knowledge and understanding of transport and retention processes gained from this study is transferable to different scales from laboratory to in-situ conditions. (authors)
International Nuclear Information System (INIS)
Han, K.; Shen, B.; Tang, N.; Tang, Y.Q.; He, X.W.; Qin, Z.X.; Yang, Z.J.; Zhang, G.Y.; Lin, T.; Zhu, B.; Zhou, W.Z.; Chu, J.H.
2007-01-01
Electron-electron interaction effect of the two-dimensional electron gas (2DEG) in Al x Ga 1-x N/GaN heterostructures has been investigated by means of magnetotransport measurements at low temperatures. From the temperature dependence of the longitudinal conductivity of the heterostructures, a clear transition region has been observed. Based on the theoretical analysis, we conclude that this region corresponds to the transition from the diffusive regime to the ballistic regime of the 2DEG transport property. The interaction constant is determined to be -0.423, which is consistent with the theoretical prediction. However, the critical temperature for the transition, which is 8 K in Al x Ga 1-x N/GaN heterostructures, is much higher than the theoretical prediction
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)
Benchmarks with diffusion theory and transport theory
International Nuclear Information System (INIS)
Cunha Menezes Filho, A. da; Souza, A.L. de.
1984-01-01
The multiplication factor and some spectral indices for five critical assemblies (ZPR-6-7, ZPR-3-11, GODIVA, BIG-TEN and FLATTOP) are calculated by Diffusion and Transport Theory, with group constants generated by MC 2 (for diffusion calculations) and by NJOY (for transport calculations). The discrepancies encountered in the ZPR-6-7 spectra, can be tracked to the large differences in the elastic cross section for Iron, calculated by MC 2 and NJOY. (Author) [pt
Transport properties of liquids
International Nuclear Information System (INIS)
Rajagopal, K.
1976-07-01
The transport coefficients, self diffusivity, dinamical viscosity,total viscosity (i.e., the first and second viscosity coefficient) and thermal conductivity, are calculated at several temperatures and saturation pressures for the Argon, Krypton and Xenon liquids, from the Mie otential and the hard sphere theory. (L.C.) [pt
Measurement of diffusive properties of intact rock
Energy Technology Data Exchange (ETDEWEB)
Harvey, K B
1996-12-01
In the Postclosure Assessment of a Reference System for the Disposal of Canada`s Nuclear Fuel Waste (Goodwin et al. 1994) the disposal vault is assumed to be surrounded by a zone of intact rock, referred to as the `exclusion zone.` A sensitivity analysis of the relative effectiveness of the several engineered and natural barriers that contribute to the safety of the reference disposal system has shown that this zone of intact rock is the most effective of these barriers to the movement of radionuclides through the reference system. Peer review of the geosphere model used in the case study for the EIS (Environmental Impact Statement) of the Canadian Nuclear Fuel Waste Management Program has identified the need to quantify the properties of the intact rock surrounding the disposal vault that would control the transport of radionuclides by diffusion. The Postclosure Assessment also identified the need for appropriate values of the free water diffusion coefficient (D{sub o}) for {sup 129}1 and {sup 14}C. The measurement of rock resistivity allows the calculation of the Formation Factor for a rock This review describes the Formation Factor, diffusivity, permeability, and porosity, and how these properties might be measured or inferred for insitu rock under the conditions that apply to the intact rock surrounding a potential disposal vault. The importance of measuring the intrinsic diffusion coefficient (D{sup i}) of diffusing species under solution salinities simulating those of groundwaters is emphasised, and a method of measurement is described that is independent of the diffusing medium, and which would be appropriate for measurements made in chemically complex media such as groundwaters. (author). 95 refs., 4 tabs., 39 figs.
Measurement of diffusive properties of intact rock
International Nuclear Information System (INIS)
Harvey, K.B.
1996-12-01
In the Postclosure Assessment of a Reference System for the Disposal of Canada's Nuclear Fuel Waste (Goodwin et al. 1994) the disposal vault is assumed to be surrounded by a zone of intact rock, referred to as the 'exclusion zone.' A sensitivity analysis of the relative effectiveness of the several engineered and natural barriers that contribute to the safety of the reference disposal system has shown that this zone of intact rock is the most effective of these barriers to the movement of radionuclides through the reference system. Peer review of the geosphere model used in the case study for the EIS (Environmental Impact Statement) of the Canadian Nuclear Fuel Waste Management Program has identified the need to quantify the properties of the intact rock surrounding the disposal vault that would control the transport of radionuclides by diffusion. The Postclosure Assessment also identified the need for appropriate values of the free water diffusion coefficient (D o ) for 129 1 and 14 C. The measurement of rock resistivity allows the calculation of the Formation Factor for a rock This review describes the Formation Factor, diffusivity, permeability, and porosity, and how these properties might be measured or inferred for insitu rock under the conditions that apply to the intact rock surrounding a potential disposal vault. The importance of measuring the intrinsic diffusion coefficient (D i ) of diffusing species under solution salinities simulating those of groundwaters is emphasised, and a method of measurement is described that is independent of the diffusing medium, and which would be appropriate for measurements made in chemically complex media such as groundwaters. (author). 95 refs., 4 tabs., 39 figs
Diffusive transport in a one dimensional disordered potential involving correlations
International Nuclear Information System (INIS)
Monthus, C.; Paris-6 Univ., 75
1995-03-01
Transport properties of one dimensional Brownian diffusion under the influence of a quenched random force, distributed as a two-level Poisson process is discussed. Large time scaling laws of the position of the Brownian particle, and the probability distribution of the stationary flux going through a sample between two prescribed concentrations are studied. (author) 14 refs.; 3 figs
Diffusion and transport coefficients in synthetic opals
International Nuclear Information System (INIS)
Sofo, J. O.; Mahan, G. D.
2000-01-01
Opals are structures composed of close-packed spheres in the size range of nano to micrometers. They are sintered to create small necks at the points of contact. We have solved the diffusion problem in such structures. The relation between the diffusion coefficient and the thermal and electrical conductivity is used to estimate the transport coefficients of opal structures as a function of the neck size and the mean free path of the carriers. The theory presented is also applicable to the diffusion problem in other periodic structures. (c) 2000 The American Physical Society
A Note on Diffusive Mass Transport.
Haynes, Henry W., Jr.
1986-01-01
Current chemical engineering textbooks teach that the driving force for diffusive mass transport in ideal solutions is the gradient in mole fraction. This is only true for ideal solution liquids. Therefore, it is shown that the appropriate driving force for use with ideal gases is the gradient in partial pressure. (JN)
Diffusive limits for linear transport equations
International Nuclear Information System (INIS)
Pomraning, G.C.
1992-01-01
The authors show that the Hibert and Chapman-Enskog asymptotic treatments that reduce the nonlinear Boltzmann equation to the Euler and Navier-Stokes fluid equations have analogs in linear transport theory. In this linear setting, these fluid limits are described by diffusion equations, involving familiar and less familiar diffusion coefficients. Because of the linearity extant, one can carry out explicitly the initial and boundary layer analyses required to obtain asymptotically consistent initial and boundary conditions for the diffusion equations. In particular, the effects of boundary curvature and boundary condition variation along the surface can be included in the boundary layer analysis. A brief review of heuristic (nonasymptotic) diffusion description derivations is also included in our discussion
Diffusion transport of nanoparticles at nanochannel boundaries
International Nuclear Information System (INIS)
Mahadevan, T. S.; Milosevic, M.; Kojic, M.; Hussain, F.; Kojic, N.; Serda, R.; Ferrari, M.; Ziemys, A.
2013-01-01
The manipulation of matter at the nanoscale has unleashed a great potential for engineering biomedical drug carriers, but the transport of nanoparticles (NPs) under nanoscale confinement is still poorly understood. Using colloidal physics to describe NP interactions, we have computationally studied the passive transport of NPs using experimentally relevant conditions from bulk into a nanochannel of 60–90 nm height. NP size, channel height, and the Debye length are comparable so that changes in nanoscale dimensions may induce substantial changes in NP transport kinetics. We show that subtle changes in nanochannel dimensions may alter the energy barrier by about six orders of magnitude resulting in different NP penetration depths and diffusion mechanisms: ballistic, first-order and quasi zero-order transport regimes. The analysis of NP diffusion by continuum methods reveals that apparent diffusivity is reduced by decreasing channel size. The continuum finite element (FE) numerical method reproduced the colloidal model results only when surface interactions were accounted for. These results give a new insight into NP passive transport at the boundaries of nanoconfined domains, and have implications on the design of nanoscale fluidics and NP systems for biomedical and engineering applications.
Fractional diffusion models of nonlocal transport
International Nuclear Information System (INIS)
Castillo-Negrete, D. del
2006-01-01
A class of nonlocal models based on the use of fractional derivatives (FDs) is proposed to describe nondiffusive transport in magnetically confined plasmas. FDs are integro-differential operators that incorporate in a unified framework asymmetric non-Fickian transport, non-Markovian ('memory') effects, and nondiffusive scaling. To overcome the limitations of fractional models in unbounded domains, we use regularized FDs that allow the incorporation of finite-size domain effects, boundary conditions, and variable diffusivities. We present an α-weighted explicit/implicit numerical integration scheme based on the Grunwald-Letnikov representation of the regularized fractional diffusion operator in flux conserving form. In sharp contrast with the standard diffusive model, the strong nonlocality of fractional diffusion leads to a linear in time response for a decaying pulse at short times. In addition, an anomalous fractional pinch is observed, accompanied by the development of an uphill transport region where the 'effective' diffusivity becomes negative. The fractional flux is in general asymmetric and, for steady states, it has a negative (toward the core) component that enhances confinement and a positive component that increases toward the edge and leads to poor confinement. The model exhibits the characteristic anomalous scaling of the confinement time, τ, with the system's size, L, τ∼L α , of low-confinement mode plasma where 1<α<2 is the order of the FD operator. Numerical solutions of the model with an off-axis source show that the fractional inward transport gives rise to profile peaking reminiscent of what is observed in tokamak discharges with auxiliary off-axis heating. Also, cold-pulse perturbations to steady sates in the model exhibit fast, nondiffusive propagation phenomena that resemble perturbative experiments
International Nuclear Information System (INIS)
Chagneau, Aurelie; Claret, Francis; Made, Benoit; Tuckermann, Juergen; Enzmann, Frieder; Schaefer, Thorsten
2012-01-01
Document available in extended abstract form only. The main objective of the present study is to characterize the evolution of diffusion properties of porous materials as influenced by porosity changes. When under geochemical perturbation, the rocks porosity evolves with dissolution/precipitation processes. The impact of changes in porosity on the diffusion phenomena are implemented in most geochemical models using Archie's law: D e /D 0 = ε m where D e and D 0 are the effective diffusivity and the diffusivity of the element in water in m 2 s -1 , respectively, e is the overall porosity and m is the cementation factor. The factor m is a function of pores geometry and compaction. Depending on the rock considered, its value ranges from 1 to 3. Moreover, as the porosity decreases the connectivity of pores changes. At low overall porosity, the effective porosity is the determining parameter affecting effective diffusivity. Therefore, the Archie's law needs to be modified to accurately predict geochemical migration of pollutants such as radio-elements in a dynamic system. Our experimental approach is divided in two complementary parts: (i) diffusion experiments conducted in hot-laboratory using radiotracers and (ii) time-dependant monitoring of porosity evolution in three dimensions using computed tomography (CT). For the two approaches, simplified systems are used to define the co-evolution of porosity and diffusivity using a minimum number of parameters, in order to optimize the understanding of the basics and determining processes. For this purpose, three materials are used in diffusion columns: (i) rods of porous ceramic, (ii) artificial silica beads of different particle sizes (SiLi R ) and (iii) purified sea sand (Merck R ). The precipitation of simple salts, celestite (SrSO 4 ) and strontianite (SrCO 3 ), is forced in the porous material once placed in diffusion columns. Celestite and strontianite were chosen for their fast precipitation kinetics, and because
Predictability of solute transport in diffusion-controlled hydrogeologic regimes
International Nuclear Information System (INIS)
Gillham, R.W.; Cherry, J.A.
1983-01-01
Hydrogeologic regimes that are favourable for the subsurface management of low-level radioactive wastes must have transport properties that will limit the migration velocity of contaminants to some acceptably low value. Of equal importance, for the purpose of impact assessment and licensing, is the need to be able to predict, with a reasonable degree of certainty and over long time periods, what the migration velocity of the various contaminants of interest will be. This paper presents arguments to show that in addition to having favourable velocity characteristics, transport in saturated, diffusion-controlled hydrogeologic regimes is considerably more predictable than in the most common alternatives. The classical transport models for unsaturated, saturated-advection-controlled and saturated-diffusion-controlled environments are compared, with particular consideration being given to the difficulties associated with the characterization of the respective transport parameters. Results are presented which show that the diffusion of non-reactive solutes and solutes that react according to a constant partitioning ratio (K/sub d/) are highly predictable under laboratory conditions and that the diffusion coefficients for the reactive solutes can be determined with a reasonable degree of accuracy from independent measurements of bulk density, porosity, distribution coefficient and tortuosity. Field evidence is presented which shows that the distribution of environmental isotopes and chloride in thick clayey deposits is consistent with a diffusion-type transport process in these media. These results are particularly important in that they not only demonstrate the occurrence of diffusion-controlled hydrogeologic regimes, but they also demonstrate the predictability of the migration characteristics over very long time periods
Oxygen transport in waterlogged soils, Part II. Diffusion coefficients
International Nuclear Information System (INIS)
Obando Moncayo, F.H.
2004-01-01
Several equations are available for Oxygen Transport in Waterlogged Soils and have been used for soils and plants. All of them are some form of first Fick's law as given by dQ = - DA(dc/dx)/dt. This equation illustrates some important aspects of aeration in waterlogged soils; first, D is a property of the medium and the gas, and is affected by temperature T. Likewise, the amount of diffusing substance dQ in dt is a direct function of the cross sectional area A and inversely proportional to the distance x. In fact, increasing the water content of air-dry soil, drastically decreases A and creates a further resistance for the flow of oxygen through water films around root plants, soil micro organisms and soil aggregates. The solid phase is also limiting the cross-section of surface of the free gaseous diffusion and the length and tortuosity of diffusion path in soil. In most of cases, soil gas porosity and tortuosity of soil voids are expressed in the equations of diffusion as a broad 'diffusion coefficient' (apparent coefficient diffusion). The process of soil respiration is complicated, involves many parameters, and is difficult to realistically quantify. With regard to the oxygen supply, it is convenient to distinguish macro and micro models, and hence, the flux of oxygen is assumed to have two steps. The first step is related to oxygen diffusion from the atmosphere and the air-filled porosity. The second step is related to the oxygen diffusion through water-films in and around plant roots, soil micro organisms and aggregates. Because of these models we obtain coefficients of macro or micro diffusion, rates of macro or micro diffusion, etc. In the macro diffusion process oxygen is transferred in the soil profile, mainly from the soil surface to a certain depth of the root zone, while micro diffusion deals with the flux over very short distances. Both processes, macro and micro diffusion are highly influenced by soil water content. Of course, if water is added to
Interaction and diffusion transport of americium in soils
Energy Technology Data Exchange (ETDEWEB)
Ramirez-Guinart, Oriol; Rigol, Anna; Vidal, Miquel [Analytical Chemistry department, Faculty of Chemistry, University of Barcelona, Marti i Franques 1-11, 08028, Barcelona (Spain)
2014-07-01
The final disposal of High Level Radioactive Wastes (HLRW) is based on its long-term storage in underground facilities located in geological stable sites with a multi-barrier system, the so called Deep Geological Repositories (DGR), that will keep HLRW confined for >10.000 years. After this period of time, leachates rich in long-live radioisotopes might escape from DGR and start to transport towards the biosphere. There is still a lack of information concerning the interaction and transport in soils of some radionuclides present in HLRW, especially for radionuclides that present a high sorption, such as americium (Am). Having reliable information about the mobility of radionuclides in soils is crucial in order to develop risk assessment models and to take proper decisions in case of soil contamination. The aim of the present work was, by means of laboratory scale experiments, to study the interaction and, for first time, to evaluate the diffusion transport of {sup 241}Am in soils. The {sup 241}Am interaction in soils was assessed by applying sorption batch assays to 20 soil samples with contrasted edaphic properties which allowed us to quantify the solid-liquid distribution coefficient (K{sub d}) and desorption percentage. K{sub d} (Am) values ranged from 10{sup 3} to 10{sup 5} L kg{sup -1} and desorption percentages were always less than 2% which denoted a high capacity of the soil to incorporate the Am and a low reversibility of the sorption process. The influence of soil properties in {sup 241}Am interaction was studied by means of multiple linear and multivariate regressions. Although a single correlation between K{sub d} (Am) values and a soil property was not found, the main properties affecting {sup 241}Am interaction in soils were soil pH, carbonate and organic matter contents in the soil. Finally, additional batch assays at different controlled pH were done to study Am sorption as a function of the contact solution pH. A variation of the Am sorption
Color diffusion in QCD transport theory
International Nuclear Information System (INIS)
Selikhov, A.V.; Gyulassy, M.
1993-01-01
Color diffusion is shown to be an important dissipative property of quark-gluon plasmas with the characteristic color relaxation time scale, t c ∼ (3α s T log (m E /m M )) -1 , showing its sensitivity to the ratio of the static color electric and magnetic screening masses. Fokker-Planck equations are derived for QCD Wigner distributions taking into account quantum color dynamics. These equations show that the anomalously small color relaxation time leads to a small color conductivity and to strong damping of collective color modes
Impact of porosity variation on diffusive transport: experimentation vs simulation
International Nuclear Information System (INIS)
Fatnassi, Ikram
2015-01-01
Reactions induced by the diffusion of reactants from different sources may alter rock confinement properties, and are therefore critical processes to assess short-term and long-term behaviour of rocks displaying a low permeability, such as argillites which are used as barriers in underground storage installation. In order to test transport-chemistry codes based on a continuous approach, the author of this research thesis reports the development and performance of simplest as possible experiments of sealing/dissolution diffusion, by using porous media of increasing complexity: compact sand, sintered glass, stoneware, chalk, until a material close to that envisaged within the frame of a storage like a Tournemire argillite. The principle of these experiments relies on the characterisation of the diffusive behaviour of an inert tracer within a porous medium submitted to dissolution reactions (attack of a carbonate matrix by an acid solution) and/or precipitation of mineral compounds (calcium oxalate, gypsum or barite) which results in an evolution of porosity and a modification of the diffusive transport of the studied tracer. At the end of the experiment, porous media and precipitates are characterised by SEM-EDS [fr
Transport phenomena in sharply contrasting media with a diffusion barrier
International Nuclear Information System (INIS)
Dvoretskaya, O A; Kondratenko, P S
2011-01-01
Using the advection–diffusion equation, we analytically study contaminant transport in a sharply contrasting medium with a diffusion barrier due to localization of a contaminant source in a low-permeability medium. Anomalous diffusion behavior and a crossover between different transport regimes are observed. The diffusion barrier results in exponential attenuation of the source power, retardation of the contaminant plume growth and modification of the concentration distribution at large distances. (paper)
Sun, Liyuan; Morales-Collazo, Oscar; Xia, Han; Brennecke, Joan F
2015-12-03
A series of room temperature ionic liquids (RTILs) based on 1-ethyl-3-methylimidazolium ([emim](+)) with different aprotic heterocyclic anions (AHAs) were synthesized and characterized as potential electrolyte candidates for lithium ion batteries. The density and transport properties of these ILs were measured over the temperature range between 283.15 and 343.15 K at ambient pressure. The temperature dependence of the transport properties (viscosity, ionic conductivity, self-diffusion coefficient, and molar conductivity) is fit well by the Vogel-Fulcher-Tamman (VFT) equation. The best-fit VFT parameters, as well as linear fits to the density, are reported. The ionicity of these ILs was quantified by the ratio of the molar conductivity obtained from the ionic conductivity and molar concentration to that calculated from the self-diffusion coefficients using the Nernst-Einstein equation. The results of this study, which is based on ILs composed of both a planar cation and planar anions, show that many of the [emim][AHA] ILs exhibit very good conductivity for their viscosities and provide insight into the design of ILs with enhanced dynamics that may be suitable for electrolyte applications.
Anomalous transport regimes in a stochastic advection-diffusion model
International Nuclear Information System (INIS)
Dranikov, I.L.; Kondratenko, P.S.; Matveev, L.V.
2004-01-01
A general solution to the stochastic advection-diffusion problem is obtained for a fractal medium with long-range correlated spatial fluctuations. A particular transport regime is determined by two basic parameters: the exponent 2h of power-law decay of the two-point velocity correlation function and the mean advection velocity u. The values of these parameters corresponding to anomalous diffusion are determined, and anomalous behavior of the tracer distribution is analyzed for various combinations of u and h. The tracer concentration is shown to decrease exponentially at large distances, whereas power-law decay is predicted by fractional differential equations. Equations that describe the essential characteristics of the solution are written in terms of coupled space-time fractional differential operators. The analysis relies on a diagrammatic technique and makes use of scale-invariant properties of the medium
Application of a numerical transport correction in diffusion calculations
International Nuclear Information System (INIS)
Tomatis, Daniele; Dall'Osso, Aldo
2011-01-01
Full core calculations by ordinary transport methods can demand considerable computational time, hardly acceptable in the industrial work frame. However, the trend of next generation nuclear cores goes toward more heterogeneous systems, where transport phenomena of neutrons become very important. On the other hand, using diffusion solvers is more practical allowing faster calculations, but a specific formulation of the diffusion coefficient is requested to reproduce the scalar flux with reliable physical accuracy. In this paper, the Ronen method is used to evaluate numerically the diffusion coefficient in the slab reactor. The new diffusion solution is driven toward the solution of the integral neutron transport equation by non linear iterations. Better estimates of currents are computed and diffusion coefficients are corrected at node interfaces, still assuming Fick's law. This method enables obtaining closer results to the transport solution by a common solver in multigroup diffusion. (author)
Fractional diffusion models of transport in magnetically confined plasmas
International Nuclear Information System (INIS)
Castillo-Negrete, D. del; Carreras, B. A.; Lynch, V. E.
2005-01-01
Experimental and theoretical evidence suggests that transport in magnetically confined fusion plasmas deviates from the standard diffusion paradigm. Some examples include the confinement time scaling in L-mode plasmas, rapid pulse propagation phenomena, and inward transport in off-axis fueling experiments. The limitations of the diffusion paradigm can be traced back to the restrictive assumptions in which it is based. In particular, Fick's law, one of the cornerstones of diffusive transport, assumes that the fluxes only depend on local quantities, i. e. the spatial gradient of the field (s). another key issue is the Markovian assumption that neglects memory effects. Also, at a microscopic level, standard diffusion assumes and underlying Gaussian, uncorrelated stochastic process (i. e. a Brownian random walk) with well defined characteristic spatio-temporal scales. Motivated by the need to develop models of non-diffusive transport, we discuss here a class of transport models base on the use of fractional derivative operators. The models incorporates in a unified way non-Fickian transport, non-Markovian processes or memory effects, and non-diffusive scaling. At a microscopic level, the models describe an underlying stochastic process without characteristic spatio-temporal scales that generalizes the Brownian random walk. As a concrete case study to motivate and test the model, we consider transport of tracers in three-dimensional, pressure-gradient-driven turbulence. We show that in this system transport is non-diffusive and cannot be described in the context of the standard diffusion parading. In particular, the probability density function (pdf) of the radial displacements of tracers is strongly non-Gaussian with algebraic decaying tails, and the moments of the tracer displacements exhibit super-diffusive scaling. there is quantitative agreement between the turbulence transport calculations and the proposed fractional diffusion model. In particular, the model
Sánchez, R.; van Milligen, B. Ph.; Carreras, B. A.
2005-05-01
It is argued that the modeling of plasma transport in tokamaks may benefit greatly from extending the usual local paradigm to accommodate scale-free transport mechanisms. This can be done by combining Lévy distributions and a nonlinear threshold condition within the continuous time random walk concept. The advantages of this nonlocal, nonlinear extension are illustrated by constructing a simple particle density transport model that, as a result of these ideas, spontaneously exhibits much of nondiffusive phenomenology routinely observed in tokamaks. The fluid limit of the system shows that the kind of equations that are appropriate to capture these dynamics are based on fractional differential operators. In them, effective diffusivities and pinch velocities are found that are dynamically set by the system in response to the specific characteristics of the fueling source and external perturbations. This fact suggests some dramatic consequences for the extrapolation of these transport properties to larger size systems.
International Nuclear Information System (INIS)
Sanchez, R.; Milligen, B.Ph. van; Carreras, B.A.
2005-01-01
It is argued that the modeling of plasma transport in tokamaks may benefit greatly from extending the usual local paradigm to accommodate scale-free transport mechanisms. This can be done by combining Levy distributions and a nonlinear threshold condition within the continuous time random walk concept. The advantages of this nonlocal, nonlinear extension are illustrated by constructing a simple particle density transport model that, as a result of these ideas, spontaneously exhibits much of nondiffusive phenomenology routinely observed in tokamaks. The fluid limit of the system shows that the kind of equations that are appropriate to capture these dynamics are based on fractional differential operators. In them, effective diffusivities and pinch velocities are found that are dynamically set by the system in response to the specific characteristics of the fueling source and external perturbations. This fact suggests some dramatic consequences for the extrapolation of these transport properties to larger size systems
Generalized diffusion theory for calculating the neutron transport scalar flux
International Nuclear Information System (INIS)
Alcouffe, R.E.
1975-01-01
A generalization of the neutron diffusion equation is introduced, the solution of which is an accurate approximation to the transport scalar flux. In this generalization the auxiliary transport calculations of the system of interest are utilized to compute an accurate, pointwise diffusion coefficient. A procedure is specified to generate and improve this auxiliary information in a systematic way, leading to improvement in the calculated diffusion scalar flux. This improvement is shown to be contingent upon satisfying the condition of positive calculated-diffusion coefficients, and an algorithm that ensures this positivity is presented. The generalized diffusion theory is also shown to be compatible with conventional diffusion theory in the sense that the same methods and codes can be used to calculate a solution for both. The accuracy of the method compared to reference S/sub N/ transport calculations is demonstrated for a wide variety of examples. (U.S.)
A consistent transported PDF model for treating differential molecular diffusion
Wang, Haifeng; Zhang, Pei
2016-11-01
Differential molecular diffusion is a fundamentally significant phenomenon in all multi-component turbulent reacting or non-reacting flows caused by the different rates of molecular diffusion of energy and species concentrations. In the transported probability density function (PDF) method, the differential molecular diffusion can be treated by using a mean drift model developed by McDermott and Pope. This model correctly accounts for the differential molecular diffusion in the scalar mean transport and yields a correct DNS limit of the scalar variance production. The model, however, misses the molecular diffusion term in the scalar variance transport equation, which yields an inconsistent prediction of the scalar variance in the transported PDF method. In this work, a new model is introduced to remedy this problem that can yield a consistent scalar variance prediction. The model formulation along with its numerical implementation is discussed, and the model validation is conducted in a turbulent mixing layer problem.
International Nuclear Information System (INIS)
Cartier, J.
2006-04-01
This thesis focuses on mathematical analysis, numerical resolution and modelling of the transport equations. First of all, we deal with numerical approximation of the solution of the transport equations by using a mixed-hybrid scheme. We derive and study a mixed formulation of the transport equation, then we analyse the related variational problem and present the discretization and the main properties of the scheme. We particularly pay attention to the behavior of the scheme and we show its efficiency in the diffusion limit (when the mean free path is small in comparison with the characteristic length of the physical domain). We present academical benchmarks in order to compare our scheme with other methods in many physical configurations and validate our method on analytical test cases. Unstructured and very distorted meshes are used to validate our scheme. The second part of this thesis deals with two transport problems. The first one is devoted to the study of diffusion due to boundary conditions in a transport problem between two plane plates. The second one consists in modelling and simulating radiative transfer phenomenon in case of the industrial context of inertial confinement fusion. (author)
Transport equivalent diffusion constants for reflector region in PWRs
International Nuclear Information System (INIS)
Tahara, Yoshihisa; Sekimoto, Hiroshi
2002-01-01
The diffusion-theory-based nodal method is widely used in PWR core designs for reason of its high computing speed in three-dimensional calculations. The baffle/reflector (B/R) constants used in nodal calculations are usually calculated based on a one-dimensional transport calculation. However, to achieve high accuracy of assembly power prediction, two-dimensional model is needed. For this reason, the method for calculating transport equivalent diffusion constants of reflector material was developed so that the neutron currents on the material boundaries could be calculated exactly in diffusion calculations. Two-dimensional B/R constants were calculated using the transport equivalent diffusion constants in the two-dimensional diffusion calculation whose geometry reflected the actual material configuration in the reflector region. The two-dimensional B/R constants enabled us to predict assembly power within an error of 1.5% at hot full power conditions. (author)
Czech Academy of Sciences Publication Activity Database
Veselý, M.; Bultreys, T.; Peksa, M.; Lang, J.; Cnudde, V.; van Hoorebeke, L.; Kočiřík, Milan; Hejtmánek, Vladimír; Šolcová, Olga; Soukup, Karel; Gerke, K.; Stallmach, F.; Čapek, P.
2015-01-01
Roč. 110, č. 1 (2015), s. 81-111 ISSN 0169-3913 R&D Projects: GA ČR(CZ) GAP204/11/1206 Institutional support: RVO:61388955 ; RVO:67985858 Keywords : Isobaric counter-current diffusion * Knudsen flow * Pulsed field gradient NMR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.653, year: 2015
Transport properties of molecular junctions
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 ...
Unconditionally stable diffusion-acceleration of the transport equation
International Nuclear Information System (INIS)
Larson, E.W.
1982-01-01
The standard iterative procedure for solving fixed-source discrete-ordinates problems converges very slowly for problems in optically thick regions with scattering ratios c near unity. The diffusion-synthetic acceleration method has been proposed to make use of the fact that for this class of problems, the diffusion equation is often an accurate approximation to the transport equation. However, stability difficulties have historically hampered the implementation of this method for general transport differencing schemes. In this article we discuss a recently developed procedure for obtaining unconditionally stable diffusion-synthetic acceleration methods for various transport differencing schemes. We motivate the analysis by first discussing the exact transport equation; then we illustrate the procedure by deriving a new stable acceleration method for the linear discontinuous transport differencing scheme. We also provide some numerical results
Unconditionally stable diffusion-acceleration of the transport equation
International Nuclear Information System (INIS)
Larsen, E.W.
1982-01-01
The standard iterative procedure for solving fixed-source discrete-ordinates problems converges very slowly for problems in optically large regions with scattering ratios c near unity. The diffusion-synthetic acceleration method has been proposed to make use of the fact that for this class of problems the diffusion equation is often an accurate approximation to the transport equation. However, stability difficulties have historically hampered the implementation of this method for general transport differencing schemes. In this article we discuss a recently developed procedure for obtaining unconditionally stable diffusion-synthetic acceleration methods for various transport differencing schemes. We motivate the analysis by first discussing the exact transport equation; then we illustrate the procedure by deriving a new stable acceleration method for the linear discontinuous transport differencing scheme. We also provide some numerical results
Transport of beta-blockers and calcium antagonists by diffusion in cat myocardium
DEFF Research Database (Denmark)
Haunsø, Stig; Sejrsen, Per; Svendsen, Jesper Hastrup
1991-01-01
Beta-blockers and calcium antagonists have been claimed to possess cardioprotective properties. This study addresses the question of whether a significant amount of these drugs will reach the cardiac myocytes during no-flow ischemia, where solute transport depends solely on diffusion. In anesthet......Beta-blockers and calcium antagonists have been claimed to possess cardioprotective properties. This study addresses the question of whether a significant amount of these drugs will reach the cardiac myocytes during no-flow ischemia, where solute transport depends solely on diffusion...
Multigroup neutron transport equation in the diffusion and P{sub 1} approximation
Energy Technology Data Exchange (ETDEWEB)
Obradovic, D [Boris Kidric Institute of nuclear sciences Vinca, Belgrade (Yugoslavia)
1970-07-01
Investigations of the properties of the multigroup transport operator, width and without delayed neutrons in the diffusion and P{sub 1} approximation, is performed using Keldis's theory of operator families as well as a technique . recently used for investigations into the properties of the general linearized Boltzmann operator. It is shown that in the case without delayed neutrons, multigroup transport operator in the diffusion and P{sub 1} approximation possesses a complete set of generalized eigenvectors. A formal solution to the initial value problem is also given. (author)
Diffusion tensor in electron swarm transport
International Nuclear Information System (INIS)
Makabe, T.; Mori, T.
1983-01-01
Expression for the diffusion tensor of the electron (or light ion) swarm is presented from the higher-order expansion of the velocity distribution in the Boltzmann equation in hydrodynamic stage. Derived diffusion coefficients for the transverse and longitudinal directions include the additional terms representative of the curvature effect under the action of an electric field with the usual-two-term expressions. Numerical analysis is given for the electron swarm in model gases having the momentum transfer cross section Qsub(m)(epsilon)=Q 0 epsilon sup(beta) (β=0, 1/2, 1) using the present theory. As the result, appreciable degree of discrepancy appears between the transverse diffusion coefficient defined here and the conventional expression with increasing of β in Qsub(m). (Author)
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
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.
Atmospheric transport, diffusion, and deposition of radioactivity
International Nuclear Information System (INIS)
Crawford, T.V.
1969-01-01
From a meteorological standpoint there are two types of initial sources for atmospheric diffusion from Plowshare applications. One is the continuous point-source plume - a slow, small leak from an underground engineering application. The other is the large cloud produced almost instantaneously from a cratering application. For the purposes of this paper the effluent from neither type has significant fall speed. Both are carried by the prevailing wind, but the statistics of diffusion for each type are different. The use of constant altitude, isobaric and isentropic techniques for predicting the mean path of the effluent is briefly discussed. Limited data are used to assess the accuracy of current trajectory forecast techniques. Diffusion of continuous point-source plumes has been widely studied; only a brief review is given of the technique used and the variability of their results with wind speed and atmospheric stability. A numerical model is presented for computing the diffusion of the 'instantaneously-produced' large clouds. This model accounts for vertical and diurnal changes in atmospheric turbulence, wet and dry deposition, and radioactivity decay. Airborne concentrations, cloud size, and deposition on the ground are calculated. Pre- and post-shot calculations of cloud center, ground level concentration of gross radioactivity, and dry and wet deposition of iodine-131 are compared with measurements on Cabriolet and Buggy. (author)
Atmospheric transport, diffusion, and deposition of radioactivity
Energy Technology Data Exchange (ETDEWEB)
Crawford, T V [Lawrence Radiation Laboratory, Livermore, CA (United States)
1969-07-01
From a meteorological standpoint there are two types of initial sources for atmospheric diffusion from Plowshare applications. One is the continuous point-source plume - a slow, small leak from an underground engineering application. The other is the large cloud produced almost instantaneously from a cratering application. For the purposes of this paper the effluent from neither type has significant fall speed. Both are carried by the prevailing wind, but the statistics of diffusion for each type are different. The use of constant altitude, isobaric and isentropic techniques for predicting the mean path of the effluent is briefly discussed. Limited data are used to assess the accuracy of current trajectory forecast techniques. Diffusion of continuous point-source plumes has been widely studied; only a brief review is given of the technique used and the variability of their results with wind speed and atmospheric stability. A numerical model is presented for computing the diffusion of the 'instantaneously-produced' large clouds. This model accounts for vertical and diurnal changes in atmospheric turbulence, wet and dry deposition, and radioactivity decay. Airborne concentrations, cloud size, and deposition on the ground are calculated. Pre- and post-shot calculations of cloud center, ground level concentration of gross radioactivity, and dry and wet deposition of iodine-131 are compared with measurements on Cabriolet and Buggy. (author)
DEFF Research Database (Denmark)
Deepagoda Thuduwe Kankanamge Kelum, Chamindu; Smits, Kathleen; Ramirez, Jamie
2016-01-01
porous media transport properties, key transport parameters such as thermal conductivity and gas diffusivity are particularly important to describe temperature-induced heat transport and diffusion-controlled gas transport processes, respectively. Despite many experimental and numerical studies focusing...... transport models (thermal conductivity, saturated hydraulic conductivity, and gas diffusivity). An existing thermal conductivity model was improved to describe the distinct three-region behavior in observed thermal conductivity–water saturation relations. Applying widely used parametric models for saturated......Detailed characterization of partially saturated porous media is important for understanding and predicting vadose zone transport processes. While basic properties (e.g., particle- and pore-size distributions and soil-water retention) are, in general, essential prerequisites for characterizing most...
Random walk, diffusion and mixing in simulations of scalar transport in fluid flows
International Nuclear Information System (INIS)
Klimenko, A Y
2008-01-01
Physical similarity and mathematical equivalence of continuous diffusion and particle random walk form one of the cornerstones of modern physics and the theory of stochastic processes. In many applied models used in simulation of turbulent transport and turbulent combustion, mixing between particles is used to reflect the influence of the continuous diffusion terms in the transport equations. We show that the continuous scalar transport and diffusion can be accurately specified by means of mixing between randomly walking Lagrangian particles with scalar properties and assess errors associated with this scheme. This gives an alternative formulation for the stochastic process which is selected to represent the continuous diffusion. This paper focuses on statistical errors and deals with relatively simple cases, where one-particle distributions are sufficient for a complete description of the problem.
Diffusion and transport phenomena in a collisional magnetoplasma ...
Indian Academy of Sciences (India)
Boltzmann-transport equation is analytically solved for two-component magnetoplasma using Chapman-Enskog analysis to include collisional diffusion transport having anisotropies in both streaming velocity and temperature components. The modified collisional integrals are analytically solved with flux integrals and ...
Diffusive heat transport across magnetic islands and stochastic layers in tokamaks
International Nuclear Information System (INIS)
Hoelzl, Matthias
2010-01-01
Heat transport in tokamak plasmas with magnetic islands and ergodic field lines was simulated at realistic plasma parameters in realistic tokamak geometries. This requires the treatment of anisotropic heat diffusion, which is more efficient along magnetic field lines by up to ten orders of magnitude than perpendicular to them. Comparisons with analytical predictions and experimental measurements allow to determine the stability properties of neoclassical tearing modes as well as the experimental heat diffusion anisotropy.
Neutron transport equation - indications on homogenization and neutron diffusion
International Nuclear Information System (INIS)
Argaud, J.P.
1992-06-01
In PWR nuclear reactor, the practical study of the neutrons in the core uses diffusion equation to describe the problem. On the other hand, the most correct method to describe these neutrons is to use the Boltzmann equation, or neutron transport equation. In this paper, we give some theoretical indications to obtain a diffusion equation from the general transport equation, with some simplifying hypothesis. The work is organised as follows: (a) the most general formulations of the transport equation are presented: integro-differential equation and integral equation; (b) the theoretical approximation of this Boltzmann equation by a diffusion equation is introduced, by the way of asymptotic developments; (c) practical homogenization methods of transport equation is then presented. In particular, the relationships with some general and useful methods in neutronic are shown, and some homogenization methods in energy and space are indicated. A lot of other points of view or complements are detailed in the text or the remarks
Biswas, Pritha; Das, Atreyee; Yasmin, Tanvee; Kanjilal, Baishali; Chakrabarti, Haimanti
2018-05-01
The study of ion transport in biological system has become a topic of great current interest. This work presents the diffusive transport properties through a typical semi interpenetrating polymeric network (SIPN) which mimics many characteristic features of the walls of human food pipes. The SIPN matrix has been synthesised from Polyvinyl alcohol, Acrylamide monomer, Glutaraldehyde and Ammonium Per sulphate in our laboratory is utilised to study the diffusive transport in the absence and presence of aqueous electrolyte (KCl) at varying concentrations. The diffusivity of the SIPN polymer hydrogel was estimated by the `Theory of Elastomer' to get an insight into process of Potassium and Chlorine ion transport through the SIPN.
The quasi-diffusive approximation in transport theory: Local solutions
International Nuclear Information System (INIS)
Celaschi, M.; Montagnini, B.
1995-01-01
The one velocity, plane geometry integral neutron transport equation is transformed into a system of two equations, one of them being the equation of continuity and the other a generalized Fick's law, in which the usual diffusion coefficient is replaced by a self-adjoint integral operator. As the kernel of this operator is very close to the Green function of a diffusion equation, an approximate inversion by means of a second order differential operator allows to transform these equations into a purely differential system which is shown to be equivalent, in the simplest case, to a diffusion-like equation. The method, the principles of which have been exposed in a previous paper, is here extended and applied to a variety of problems. If the inversion is properly performed, the quasi-diffusive solutions turn out to be quite accurate, even in the vicinity of the interface between different material regions, where elementary diffusion theory usually fails. 16 refs., 3 tabs
Basic Studies of Non-Diffusive Transport in Plasmas
Energy Technology Data Exchange (ETDEWEB)
Morales, George J. [University of California, Los Angeles, CA (United States); Maggs, James E. [University of California, Los Angeles, CA (United States)
2014-10-25
The project expanded and developed mathematical descriptions, and corresponding numerical modeling, of non-diffusive transport to incorporate new perspectives derived from basic transport experiments performed in the LAPD device at UCLA, and at fusion devices throughout the world. By non-diffusive it is meant that the transport of fundamental macroscopic parameters of a system, such as temperature and density, does not follow the standard diffusive behavior predicted by a classical Fokker-Planck equation. The appearance of non-diffusive behavior is often related to underlying microscopic processes that cause the value of a system parameter, at one spatial position, to be linked to distant events, i.e., non-locality. In the LAPD experiments the underlying process was traced to large amplitude, coherent drift-waves that give rise to chaotic trajectories. Significant advances were made in this project. The results have lead to a new perspective about the fundamentals of edge transport in magnetically confined plasmas; the insight has important consequences for worldwide studies in fusion devices. Progress was also made in advancing the mathematical techniques used to describe fractional diffusion.
Anomalous Transport of Cosmic Rays in a Nonlinear Diffusion Model
Energy Technology Data Exchange (ETDEWEB)
Litvinenko, Yuri E. [Department of Mathematics, University of Waikato, P. B. 3105, Hamilton 3240 (New Zealand); Fichtner, Horst; Walter, Dominik [Institut für Theoretische Physik IV, Ruhr-Universität Bochum, Universitätsstrasse 150, D-44780 Bochum (Germany)
2017-05-20
We investigate analytically and numerically the transport of cosmic rays following their escape from a shock or another localized acceleration site. Observed cosmic-ray distributions in the vicinity of heliospheric and astrophysical shocks imply that anomalous, superdiffusive transport plays a role in the evolution of the energetic particles. Several authors have quantitatively described the anomalous diffusion scalings, implied by the data, by solutions of a formal transport equation with fractional derivatives. Yet the physical basis of the fractional diffusion model remains uncertain. We explore an alternative model of the cosmic-ray transport: a nonlinear diffusion equation that follows from a self-consistent treatment of the resonantly interacting cosmic-ray particles and their self-generated turbulence. The nonlinear model naturally leads to superdiffusive scalings. In the presence of convection, the model yields a power-law dependence of the particle density on the distance upstream of the shock. Although the results do not refute the use of a fractional advection–diffusion equation, they indicate a viable alternative to explain the anomalous diffusion scalings of cosmic-ray particles.
New diffusion-like solutions of one-speed transport equations in spherical geometry
International Nuclear Information System (INIS)
Sahni, D.C.
1988-01-01
Stationary, one-speed, spherically symmetric transport equations are considered in a conservative medium. Closed-form expressions are obtained for the angular flux ψ(r, μ) that yield a total flux varying as 1/r by using Sonine transforms. Properties of this solution are studied and it is shown that the solution can not be identified as a diffusion mode solution of the transport equation. Limitations of the Sonine transform technique are noted. (author)
Discrete Diffusion Monte Carlo for Electron Thermal Transport
Chenhall, Jeffrey; Cao, Duc; Wollaeger, Ryan; Moses, Gregory
2014-10-01
The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. is adapted to a Discrete Diffusion Monte Carlo (DDMC) solution method for eventual inclusion in a hybrid IMC-DDMC (Implicit Monte Carlo) method. The hybrid method will combine the efficiency of a diffusion method in short mean free path regions with the accuracy of a transport method in long mean free path regions. The Monte Carlo nature of the approach allows the algorithm to be massively parallelized. Work to date on the iSNB-DDMC method will be presented. This work was supported by Sandia National Laboratory - Albuquerque.
On the diffusive nature of W7-AS transport
Energy Technology Data Exchange (ETDEWEB)
Stroth, U; Giannone, L.; Erckmann, V; Geist, T; Hartfuss, H J; Jaenicke, R; Kuehner, G; Ringler, H; Sardei, F [Max-Planck-Institut fuer Plasmaphysik, Garching (Germany)
1994-12-31
Particle and energy transport in W7-AS have many aspects which are in qualitative agreement with diffusive transport mechanisms. Unlike in tokamaks, the density profiles are flat in the source-free region and for the electron temperature no profile resilience is observed. A strong dependence of transport on the temperature gradient could be ruled out since agreement between the transport coefficients from steady state and perturbative studies has been observed both, in absolute value and parameter dependences. Furthermore, W7-AS transport was found to be compatible with a gyro-Bohm-like and, hence, local transport model. Similar to tokamaks, however, there are problems in relating the local transport coefficients to local plasma parameters. Especially the degradation of confinement with heating power cannot easily be connected to a local quantity. This difficulty is the subject of this paper. (author) 2 refs., 4 figs.
On the diffusive nature of W7-AS transport
International Nuclear Information System (INIS)
Stroth, U.; Giannone, L.; Erckmann, V.; Geist, T.; Hartfuss, H.J.; Jaenicke, R.; Kuehner, G.; Ringler, H.; Sardei, F.
1993-01-01
Particle and energy transport in W7-AS have many aspects which are in qualitative agreement with diffusive transport mechanisms. Unlike in tokamaks, the density profiles are flat in the source-free region and for the electron temperature no profile resilience is observed. A strong dependence of transport on the temperature gradient could be ruled out since agreement between the transport coefficients from steady state and perturbative studies has been observed both, in absolute value and parameter dependences. Furthermore, W7-AS transport was found to be compatible with a gyro-Bohm-like and, hence, local transport model. Similar to tokamaks, however, there are problems in relating the local transport coefficients to local plasma parameters. Especially the degradation of confinement with heating power cannot easily be connected to a local quantity. This difficulty is the subject of this paper. (orig.)
On the diffusive nature of W7-AS transport
International Nuclear Information System (INIS)
Stroth, U.; Giannone, L.; Erckmann, V.; Geist, T.; Hartfuss, H.J.; Jaenicke, R.; Kuehner, G.; Ringler, H.; Sardei, F.
1993-01-01
Particle and energy transport in W7-AS have many aspects which are in qualitative agreement with diffusive transport mechanisms. Unlike in tokamaks, the density profiles are flat in the source-free region and for the electron temperature no profile resilience is observed. A strong dependence of transport on the temperature gradient could be ruled out since agreement between the transport coefficients from steady state and perturbative studies has been observed both, in absolute value and parameter dependences. Furthermore, W7-AS transport was found to be compatible with a gyro-Bohm-like and, hence, local transport model. Similar to tokamaks, however, there are problems in relating the local transport coefficients to local plasma parameters. Especially the degradation of confinement with heating power cannot easily be connected to a local quantity. This difficulty is the subject of this paper. (author) 2 refs., 4 figs
A desk study of surface diffusion and mass transport in clay
International Nuclear Information System (INIS)
Cook, A.J.
1988-09-01
The concept of a geological barrier to radionuclide migration from theoretical radioactive waste repositories has drawn attention to the physico-chemical properties of clays, which are traditionally regarded as retarding media. This report addresses the different mechanisms of transport of radionuclides through clay and in particular focuses on the surface diffusion movement of sorbed cations. The relative contributory importance of the different transport mechanisms is governed by the pore size distributions and interconnections within the clay fabric. Surface diffusion data in the literature have been from experiments using compacted montmorillonite and biotite gneiss. A possible programme of laboratory work is outlined, based on diffusion experiments, which describes the way of measuring the effect of surface diffusion more accurately in clays, mudstones and shales. (author)
S sub(N) transport and diffusion acceleration
International Nuclear Information System (INIS)
Gho, C.J.
1986-01-01
After brief description of the characteristics and history of S sub(N) transport method and the present development of transport codes, the technique of diffusion acceleration and the characteristics of its implementation in BISTRO computer code are exposed. It is showed that the method to discretize algorithms leads to strongly results using some simple calculations which alloy to compare the performance of BISTRO computer code to distinguished versions of DOT computer code. (M.C.K.) [pt
Analytical solution to the hybrid diffusion-transport equation
International Nuclear Information System (INIS)
Nanneh, M.M.; Williams, M.M.R.
1986-01-01
A special integral equation was derived in previous work using a hybrid diffusion-transport theory method for calculating the flux distribution in slab lattices. In this paper an analytical solution of this equation has been carried out on a finite reactor lattice. The analytical results of disadvantage factors are shown to be accurate in comparison with the numerical results and accurate transport theory calculations. (author)
Energy Technology Data Exchange (ETDEWEB)
Wang, Chi-Jen [Iowa State Univ., Ames, IA (United States)
2013-01-01
In this thesis, we analyze both the spatiotemporal behavior of: (A) non-linear “reaction” models utilizing (discrete) reaction-diffusion equations; and (B) spatial transport problems on surfaces and in nanopores utilizing the relevant (continuum) diffusion or Fokker-Planck equations. Thus, there are some common themes in these studies, as they all involve partial differential equations or their discrete analogues which incorporate a description of diffusion-type processes. However, there are also some qualitative differences, as shall be discussed below.
Reaction-diffusion systems in intracellular molecular transport and control.
Soh, Siowling; Byrska, Marta; Kandere-Grzybowska, Kristiana; Grzybowski, Bartosz A
2010-06-07
Chemical reactions make cells work only if the participating chemicals are delivered to desired locations in a timely and precise fashion. Most research to date has focused on active-transport mechanisms, although passive diffusion is often equally rapid and energetically less costly. Capitalizing on these advantages, cells have developed sophisticated reaction-diffusion (RD) systems that control a wide range of cellular functions-from chemotaxis and cell division, through signaling cascades and oscillations, to cell motility. These apparently diverse systems share many common features and are "wired" according to "generic" motifs such as nonlinear kinetics, autocatalysis, and feedback loops. Understanding the operation of these complex (bio)chemical systems requires the analysis of pertinent transport-kinetic equations or, at least on a qualitative level, of the characteristic times of the constituent subprocesses. Therefore, in reviewing the manifestations of cellular RD, we also describe basic theory of reaction-diffusion phenomena.
International Nuclear Information System (INIS)
Larbi, B.
2013-01-01
Concrete durability is a subject of considerable interest, especially with the use of cement based materials on structures increasingly demanding on term of sustainability and resistance to aggressive ions penetration or radionuclide release. Diffusion is considered as one of the main transport phenomena that cause migration of aggressive solutes and radionuclide in a porous media according to most studies. In order to enable more effective prediction of structures service life, the understanding of the link between cement based materials microstructure and transport macro properties needed to be enhanced. In this context, the present study is undertaken to enhance our understanding of the links between microstructure and tritiated water diffusivity in saturated mortars. The effect of aggregates via the ITZ (Interfacial Transition Zone) on transport properties and materials durability is studied. (author) [fr
Magnetothermoelectric transport properties in phosphorene
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.
From conservative to reactive transport under diffusion-controlled conditions
Babey, Tristan; de Dreuzy, Jean-Raynald; Ginn, Timothy R.
2016-05-01
We assess the possibility to use conservative transport information, such as that contained in transit time distributions, breakthrough curves and tracer tests, to predict nonlinear fluid-rock interactions in fracture/matrix or mobile/immobile conditions. Reference simulated data are given by conservative and reactive transport simulations in several diffusive porosity structures differing by their topological organization. Reactions includes nonlinear kinetically controlled dissolution and desorption. Effective Multi-Rate Mass Transfer models (MRMT) are calibrated solely on conservative transport information without pore topology information and provide concentration distributions on which effective reaction rates are estimated. Reference simulated reaction rates and effective reaction rates evaluated by MRMT are compared, as well as characteristic desorption and dissolution times. Although not exactly equal, these indicators remain very close whatever the porous structure, differing at most by 0.6% and 10% for desorption and dissolution. At early times, this close agreement arises from the fine characterization of the diffusive porosity close to the mobile zone that controls fast mobile-diffusive exchanges. At intermediate to late times, concentration gradients are strongly reduced by diffusion, and reactivity can be captured by a very limited number of rates. We conclude that effective models calibrated solely on conservative transport information like MRMT can accurately estimate monocomponent kinetically controlled nonlinear fluid-rock interactions. Their relevance might extend to more advanced biogeochemical reactions because of the good characterization of conservative concentration distributions, even by parsimonious models (e.g., MRMT with 3-5 rates). We propose a methodology to estimate reactive transport from conservative transport in mobile-immobile conditions.
International Nuclear Information System (INIS)
Kwong, S.; Jivkov, A.P.
2013-01-01
Deep geologic disposal of high activity and long-lived radioactive waste is being actively considered and pursued in many countries, where low permeability geological formations are used to provide long term waste contaminant with minimum impact to the environment and risk to the biosphere. A multi-barrier approach that makes use of both engineered and natural barriers (i.e. geological formations) is often used to further enhance the containment performance of the repository. As the deep repository system subjects to a variety of thermo-hydro-chemo-mechanical (THCM) effects over its long 'operational' lifespan (e.g. 0.1 to 1.0 million years, the integrity of the barrier system will decrease over time (e.g. fracturing in rock or clay)). This is broadly referred as media degradation in the present study. This modelling study examines the effects of media degradation on diffusion dominant solute transport in fractured media that are typical of deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes, while the effects of degradation is studied using a pore network model that considers the media diffusivity and network changes. Model results are presented to demonstrate the use of a 3D pore-network model, using a novel architecture, to calculate macroscopic properties of the medium such as diffusivity, subject to pore space changes as the media degrade. Results from a reactive transport model of a representative geological waste disposal package are also presented to demonstrate the effect of media property change on the solute migration behaviour, illustrating the complex interplay between kinetic biogeochemical processes and diffusion dominant transport. The initial modelling results demonstrate the feasibility of a coupled modelling approach (using pore-network model and reactive
Maelfeyt, Bryan; Gopinathan, Ajay
Intracellular transport occurs in nearly all eukaryotic cells, where materials such as proteins, lipids, carbohydrates, and nucleic acids travel to target locations through phases of passive, diffusion-based transport and active, motor-driven transport along filaments that make up the cell's cytoskeleton.We develop a computational model of the process with explicit cytoskeletal filament networks. In the active transport phase, cargo moves in straight lines along these filaments that are spread throughout the cell. To model the passive transport phase of cargo in the cytoplasm, where anomalous sub-diffusion is thought to take place, we implement a continuous-time random walk. We use this approach to provide a stepping stone to a predictive model where we can determine transport properties over a cytoskeletal network provided by experimental images of real filaments. We illustrate our approach by modeling the transport of insulin out of the cell and determining the impact of network geometry, anomalous sub-diffusion and motor number on the first-passage time distributions for insulin granules reaching their target destinations on the membrane.
A desk study of surface diffusion and mass transport in clay
International Nuclear Information System (INIS)
Cook, A.J.
1989-01-01
Research into the properties of clays as barrier materials for nuclear waste disposal has led to the realization that they have important transport properties which are relatively insignificant in most other geological materials. Sorption has always been regarded as a purely retarding mechanism, but laboratory experiments over the past decade have indicated that surface diffusion of sorbed cations is a potentially significant transport mechanism in both compacted montmorillonite, and biotite gneiss. The present desk study about these issues was part of the CEC coordinated project Mirage-Second phase, research area Natural analogues
International Nuclear Information System (INIS)
Zhang, Dingkang; Rahnema, Farzad; Ougouag, Abderrfi M.
2011-01-01
A response-based local transport method has been developed in 2-D (r, θ) geometry for coupling to any coarse-mesh (nodal) diffusion method/code. Monte Carlo method is first used to generate a (pre-computed) the response function library for each unique coarse mesh in the transport domain (e.g., the outer reflector region of the Pebble Bed Reactor). The scalar flux and net current at the diffusion/transport interface provided by the diffusion method are used as an incoming surface source to the transport domain. A deterministic iterative sweeping method together with the response function library is utilized to compute the local transport solution within all transport coarse meshes. After the partial angular currents crossing the coarse mesh surfaces are converged, albedo coefficients are computed as boundary conditions for the diffusion methods. The iteration on the albedo boundary condition (for the diffusion method via transport) and the incoming angular flux boundary condition (for the transport via diffusion) is continued until convergence is achieved. The method was tested for in a simplified 2-D (r, θ) pebble bed reactor problem consisting of an inner reflector, an annular fuel region and a controlled outer reflector. The comparisons have shown that the results of the response-function-based transport method agree very well with a direct MCNP whole core solution. The agreement in coarse mesh averaged flux was found to be excellent: relative difference of about 0.18% and a maximum difference of about 0.55%. Note that the MCNP uncertainty was less than 0.1%. (author)
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...
Flow, transport and diffusion in random geometries II: applications
Asinari, Pietro
2015-01-07
Multilevel Monte Carlo (MLMC) is an efficient and flexible solution for the propagation of uncertainties in complex models, where an explicit parametrization of the input randomness is not available or too expensive. We present several applications of our MLMC algorithm for flow, transport and diffusion in random heterogeneous materials. The absolute permeability and effective diffusivity (or formation factor) of micro-scale porous media samples are computed and the uncertainty related to the sampling procedures is studied. The algorithm is then extended to the transport problems and multiphase flows for the estimation of dispersion and relative permeability curves. The impact of water drops on random stuctured surfaces, with microfluidics applications to self-cleaning materials, is also studied and simulated. Finally the estimation of new drag correlation laws for poly-dispersed dilute and dense suspensions is presented.
Flow, transport and diffusion in random geometries II: applications
Asinari, Pietro; Ceglia, Diego; Icardi, Matteo; Prudhomme, Serge; Tempone, Raul
2015-01-01
Multilevel Monte Carlo (MLMC) is an efficient and flexible solution for the propagation of uncertainties in complex models, where an explicit parametrization of the input randomness is not available or too expensive. We present several applications of our MLMC algorithm for flow, transport and diffusion in random heterogeneous materials. The absolute permeability and effective diffusivity (or formation factor) of micro-scale porous media samples are computed and the uncertainty related to the sampling procedures is studied. The algorithm is then extended to the transport problems and multiphase flows for the estimation of dispersion and relative permeability curves. The impact of water drops on random stuctured surfaces, with microfluidics applications to self-cleaning materials, is also studied and simulated. Finally the estimation of new drag correlation laws for poly-dispersed dilute and dense suspensions is presented.
Transport processes in partially saturate concrete: Testing and liquid properties
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
Transport properties site descriptive model. Guidelines for evaluation and modelling
International Nuclear Information System (INIS)
Berglund, Sten; Selroos, Jan-Olof
2004-04-01
transport properties, and hence the guidelines in this report, involve two main categories of parameters: Parameters that characterise the retention properties of geologic materials. These parameters quantify the diffusion and sorption properties of intact and altered rock, fracture coatings and fracture-filling materials, and are described within the framework of the 3D geometric models devised by Geology. Parameters that characterise solute transport along flow paths (flow-related transport parameters). These parameters include the 'F-parameter' and 'water travel time', tw, and parameters that account for spatial variability in diffusion and sorption. The flow-related parameters are obtained by means of particle tracking simulations in groundwater flow models
Transport properties of organic liquids
Latini, G; Passerini, G
2006-01-01
The liquid state is possibly the most difficult and intriguing state of matter to model. Organic liquids are required, mainly as working fluids, in almost all industrial activities and in most appliances (e.g. in air conditioning). Transport properties (namely dynamic viscosity and thermal conductivity) are possibly the most important properties for the design of devices and appliances. The aim of this book is to present both theoretical approaches and the latest experimental advances on the issue, and to merge them into a wider approach. It concentrates on applicability of models.This book is 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...
Diffuse scattering and the fundamental properties of materials
EIce, Gene; Barabash, Rozaliya
2009-01-01
Diffuse Scattering-the use of off-specular X-Rays and neutrons from surfaces and interfaces-has grown rapidly as a tool for characterizing the surface properties of materials and related fundamental structural properties. It has proven to be especially useful in the understanding of local properties within materials. This book reflects the efforts of physicists and materials scientists around the world who have helped to refine the techniques and applications of diffuse scattering. Major topics specifically covered include: -- Scattering in Low Dimensions -- Elastic and Thermal Diffuse Scattering from Alloys -- Scattering from Complex and Disordered Materials -- Scattering from Distorted Crystals.
Liquid water transport mechanism in the gas diffusion layer
Energy Technology Data Exchange (ETDEWEB)
Zhou, P.; Wu, C.W. [State Key Laboratory of Structure Analysis for Industrial Equipment, Department of Engineering Mechanics, Faculty of Vehicle Engineering and Mechanics, Dalian University of Technology, Dalian 116024 (China)
2010-03-01
We developed an equivalent capillary model of a microscale fiber-fence structure to study the microscale evolution and transport of liquid in a porous media and to reveal the basic principles of water transport in gas diffusion layer (GDL). Analytical solutions using the model show that a positive hydraulic pressure is needed to drive the liquid water to penetrate through the porous GDL even consisting of the hydrophilic fibers. Several possible contributions for the water configuration, such as capillary pressure, gravity, vapor condensation, wettability and microstructures of the GDL, are discussed using the lattice Boltzmann method (LBM). It is found that the distribution manners of the fibers and the spatial mixed-wettability in the GDL also play an important role in the transport of liquid water. (author)
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
THE ISOTROPIC DIFFUSION SOURCE APPROXIMATION FOR SUPERNOVA NEUTRINO TRANSPORT
International Nuclear Information System (INIS)
Liebendoerfer, M.; Whitehouse, S. C.; Fischer, T.
2009-01-01
Astrophysical observations originate from matter that interacts with radiation or transported particles. We develop a pragmatic approximation in order to enable multidimensional simulations with basic spectral radiative transfer when the available computational resources are not sufficient to solve the complete Boltzmann transport equation. The distribution function of the transported particles is decomposed into a trapped particle component and a streaming particle component. Their separate evolution equations are coupled by a source term that converts trapped particles into streaming particles. We determine this source term by requiring the correct diffusion limit for the evolution of the trapped particle component. For a smooth transition to the free streaming regime, this 'diffusion source' is limited by the matter emissivity. The resulting streaming particle emission rates are integrated over space to obtain the streaming particle flux. Finally, a geometric estimate of the flux factor is used to convert the particle flux to the streaming particle density, which enters the evaluation of streaming particle-matter interactions. The efficiency of the scheme results from the freedom to use different approximations for each particle component. In supernovae, for example, reactions with trapped particles on fast timescales establish equilibria that reduce the number of primitive variables required to evolve the trapped particle component. On the other hand, a stationary-state approximation considerably facilitates the treatment of the streaming particle component. Different approximations may apply in applications to stellar atmospheres, star formation, or cosmological radiative transfer. We compare the isotropic diffusion source approximation with Boltzmann neutrino transport of electron flavor neutrinos in spherically symmetric supernova models and find good agreement. An extension of the scheme to the multidimensional case is also discussed.
Symmetry properties of fractional diffusion equations
Energy Technology Data Exchange (ETDEWEB)
Gazizov, R K; Kasatkin, A A; Lukashchuk, S Yu [Ufa State Aviation Technical University, Karl Marx strausse 12, Ufa (Russian Federation)], E-mail: gazizov@mail.rb.ru, E-mail: alexei_kasatkin@mail.ru, E-mail: lsu@mail.rb.ru
2009-10-15
In this paper, nonlinear anomalous diffusion equations with time fractional derivatives (Riemann-Liouville and Caputo) of the order of 0-2 are considered. Lie point symmetries of these equations are investigated and compared. Examples of using the obtained symmetries for constructing exact solutions of the equations under consideration are presented.
ENERGETIC PARTICLE TRANSPORT ACROSS THE MEAN MAGNETIC FIELD: BEFORE DIFFUSION
International Nuclear Information System (INIS)
Laitinen, T.; Dalla, S.
2017-01-01
Current particle transport models describe the propagation of charged particles across the mean field direction in turbulent plasmas as diffusion. However, recent studies suggest that at short timescales, such as soon after solar energetic particle (SEP) injection, particles remain on turbulently meandering field lines, which results in nondiffusive initial propagation across the mean magnetic field. In this work, we use a new technique to investigate how the particles are displaced from their original field lines, and we quantify the parameters of the transition from field-aligned particle propagation along meandering field lines to particle diffusion across the mean magnetic field. We show that the initial decoupling of the particles from the field lines is slow, and particles remain within a Larmor radius from their initial meandering field lines for tens to hundreds of Larmor periods, for 0.1–10 MeV protons in turbulence conditions typical of the solar wind at 1 au. Subsequently, particles decouple from their initial field lines and after hundreds to thousands of Larmor periods reach time-asymptotic diffusive behavior consistent with particle diffusion across the mean field caused by the meandering of the field lines. We show that the typical duration of the prediffusive phase, hours to tens of hours for 10 MeV protons in 1 au solar wind turbulence conditions, is significant for SEP propagation to 1 au and must be taken into account when modeling SEP propagation in the interplanetary space.
ENERGETIC PARTICLE TRANSPORT ACROSS THE MEAN MAGNETIC FIELD: BEFORE DIFFUSION
Energy Technology Data Exchange (ETDEWEB)
Laitinen, T.; Dalla, S., E-mail: tlmlaitinen@uclan.ac.uk [Jeremiah Horrocks Institute, University of Central Lancashire, Preston (United Kingdom)
2017-01-10
Current particle transport models describe the propagation of charged particles across the mean field direction in turbulent plasmas as diffusion. However, recent studies suggest that at short timescales, such as soon after solar energetic particle (SEP) injection, particles remain on turbulently meandering field lines, which results in nondiffusive initial propagation across the mean magnetic field. In this work, we use a new technique to investigate how the particles are displaced from their original field lines, and we quantify the parameters of the transition from field-aligned particle propagation along meandering field lines to particle diffusion across the mean magnetic field. We show that the initial decoupling of the particles from the field lines is slow, and particles remain within a Larmor radius from their initial meandering field lines for tens to hundreds of Larmor periods, for 0.1–10 MeV protons in turbulence conditions typical of the solar wind at 1 au. Subsequently, particles decouple from their initial field lines and after hundreds to thousands of Larmor periods reach time-asymptotic diffusive behavior consistent with particle diffusion across the mean field caused by the meandering of the field lines. We show that the typical duration of the prediffusive phase, hours to tens of hours for 10 MeV protons in 1 au solar wind turbulence conditions, is significant for SEP propagation to 1 au and must be taken into account when modeling SEP propagation in the interplanetary space.
Diffusive transport of strontium-85 in sand-bentonite mixtures
International Nuclear Information System (INIS)
Gillham, R.W.; Robin, M.J.L.; Dytynyshyn, D.J.
1983-06-01
Diffusion experiments have been used to determine the transport of 85 Sr in sand-bentonite mixtures. The diffusion experiments were performed on one natural soil (Chalk River sand) and on seven mixtures of bentonite and silica sand, containing from 0 percent to 100 percent bentonite. Two non-reactive solutes ( 36 Cl and 3 H) and one reactive solute ( 85 Sr) were used in the study. The experiments with non-reactive solutes yielded estimates of tortuosity factors. Retardation factors were obtained from experimental porosities, experimental bulk densities, and from batch distribution coefficients (Ksub(d)). These Ksub(d) values are a simple way of describing the solute/medium reaction, and are based on the assumption that the cation-exchange reaction may be described by a linear adsorption isotherm passing through the origin. The results demonstrate that, for practical purposes and for our experimental conditions, the use of the distribution coefficient provides a convenient means of calculating the effective diffusion coefficient for 85 Sr. The porosity and bulk density were also found to have a considerable influence on the effective diffusion coefficient, through the retardation factor. Mixtures containing 5-10 percent bentonite were found to be more effective in retarding 85 Sr than either sand alone, or mixtures containing more bentonite. In the soils of higher bentonite content, the effect of increased cation-exchange capacity was balanced by a decreasing ratio of bulk density to porosity
Hybrid transport and diffusion modeling using electron thermal transport Monte Carlo SNB in DRACO
Chenhall, Jeffrey; Moses, Gregory
2017-10-01
The iSNB (implicit Schurtz Nicolai Busquet) multigroup diffusion electron thermal transport method is adapted into an Electron Thermal Transport Monte Carlo (ETTMC) transport method to better model angular and long mean free path non-local effects. Previously, the ETTMC model had been implemented in the 2D DRACO multiphysics code and found to produce consistent results with the iSNB method. Current work is focused on a hybridization of the computationally slower but higher fidelity ETTMC transport method with the computationally faster iSNB diffusion method in order to maximize computational efficiency. Furthermore, effects on the energy distribution of the heat flux divergence are studied. Work to date on the hybrid method will be presented. This work was supported by Sandia National Laboratories and the Univ. of Rochester Laboratory for Laser Energetics.
Diffusive smoothing of surfzone bathymetry by gravity-driven sediment transport
Moulton, M. R.; Elgar, S.; Raubenheimer, B.
2012-12-01
Gravity-driven sediment transport often is assumed to have a small effect on the evolution of nearshore morphology. Here, it is shown that down-slope gravity-driven sediment transport is an important process acting to smooth steep bathymetric features in the surfzone. Gravity-driven transport can be modeled as a diffusive term in the sediment continuity equation governing temporal (t) changes in bed level (h): ∂h/∂t ≈ κ ▽2h, where κ is a sediment diffusion coefficient that is a function of the bed shear stress (τb) and sediment properties, such as the grain size and the angle of repose. Field observations of waves, currents, and the evolution of large excavated holes (initially 10-m wide and 2-m deep, with sides as steep as 35°) in an energetic surfzone are consistent with diffusive smoothing by gravity. Specifically, comparisons of κ estimated from the measured bed evolution with those estimated with numerical model results for several transport theories suggest that gravity-driven sediment transport dominates the bed evolution, with κ proportional to a power of τb. The models are initiated with observed bathymetry and forced with observed waves and currents. The diffusion coefficients from the measurements and from the model simulations were on average of order 10-5 m2/s, implying evolution time scales of days for features with length scales of 10 m. The dependence of κ on τb varies for different transport theories and for high and low shear stress regimes. The US Army Corps of Engineers Field Research Facility, Duck, NC provided excellent logistical support. Funded by a National Security Science and Engineering Faculty Fellowship, a National Defense Science and Engineering Graduate Fellowship, and the Office of Naval Research.
International Nuclear Information System (INIS)
Davidson, G.; Palmer, T.S.
2005-01-01
In 1975, Wachspress developed basis functions that can be constructed upon very general zone shapes, including convex polygons and polyhedra, as well as certain zone shapes with curved sides and faces. Additionally, Adams has recently shown that weight functions with certain properties will produce solutions with full-resolution. Wachspress rational functions possess those necessary properties. Here we present methods to construct and integrate Wachspress rational functions on quadrilaterals. We also present an asymptotic analysis of a discontinuous finite element discretization on quadrilaterals, and we present 3 numerical results that confirm the predictions of our analysis. In the first test problem, we showed that Wachspress rational functions could give robust solutions for a strongly heterogeneous problem with both orthogonal and skewed meshes. This strongly heterogenous problem contained thick, diffusive regions, and the discretization provided full-resolution solutions. In the second test problem, we confirmed our asymptotic analysis by demonstrating that the transport solution will converge to the diffusion solution as the problem is made increasingly thick and diffusive. In the third test problem, we demonstrated that bilinear discontinuous based transport and Wachspress rational function based transport converge in the one-mesh limit
Power dependence of ion thermal diffusivity at the internal transport barrier in JT-60U
Energy Technology Data Exchange (ETDEWEB)
Sakamoto, Yoshiteru; Suzuki, Takahiro; Ide, Shunsuke [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment] [and others
2002-09-01
The formation properties of an internal transport barrier (ITB) were investigated in a weak positive magnetic shear plasma by changing the neutral beam heating power. The ion thermal diffusivity in the core region shows L-mode state, weak ITB, and strong ITB, depending upon the heating power. Two features of ITB formation were experimentally confirmed. Weak ITB was formed in spite of the absence of an apparent transition in an ion temperature profile. On the other hand, strong ITB appeared after an apparent transition from the weak ITB. In addition, the ion thermal diffusivity at the ITB is correlated to the radial electric field shear. In the case of the weak ITB, ion thermal diffusivity decreased gradually with increases in the radial electric field shear. There exists a threshold in the radial electric field shear, which allows for a change in state from that of weak to strong ITBs. (author)
Transport of radioselenium oxyanions by diffusion in unsaturated soils
Energy Technology Data Exchange (ETDEWEB)
Aldaba, David; Rigol, Anna; Vidal, Miquel [Barcelona Univ. (Spain). Dept. de Quimica Analitica; Garcia-Gutierrez, Miguel [CIEMAT, Dept. de Medioambiente, Madrid (Spain); Abrao, Taufik [State University of Londrina (UEL) (Brazil). Dept. of Electrical Engineering (DEEL)
2015-07-01
There is a lack of data on the diffusion of long-lived radionuclides in soils, especially of those originated from the leaching of radioactive waste in waste disposal facilities. Here, the simultaneous diffusion of two radioselenium species, which were postulated to be radioselenite and radioselenate, was examined for the first time in four soils at laboratory level by applying the planar-source method. The Gaussian-shaped experimental diffusion profile was deconvoluted into two Gaussian functions, and then the apparent diffusion coefficients (D{sub a}) were quantified for each species. Radioselenate D{sub a} values ranged from 1.4 x 10{sup -11} to 1.5 x 10{sup -10} m{sup 2}s{sup -1}, while those of radioselenite were two orders of magnitude lower (from 5.2 x 10{sup -13} to 2.7 x 10{sup -12} m{sup 2}s{sup -1}) for all samples and conditions tested. The radioselenite distribution coefficient values derived from D{sub a} correlated to soil properties, such as pH and Al/Fe mineral content, and thus were consistent with the factors controlling the sorption of selenium species in soils.
International Nuclear Information System (INIS)
Gavryushenko, D.A.; Sisojev, V.M.; Cherevko, K.V.; Vlasenko, T.S.
2017-01-01
The work is devoted to the up to date problem that is the description of the radioactive particle diffusion processes. One of the aims of the present study is to estimate the effects caused by the irradiation of the liquid systems on the ongoing transport processes. That can allow predicting the behavior of the liquid systems in the presence of the radioactive sources. The main objective of the present work is studying the radioactive particles diffusion phenomena with the possible facilitated diffusion processes being considered. The phenomena are studied based on the fundamental relations of the nonequilibrium statistical thermodynamics. The diffusive flows are evaluated with the special attention given to the accounting of the entropy effects due to the appearance of the new radioactive particles in the system. The developed approach is used to estimate the diffusive flow of the radioactive particles for the case of the plane-parallel pore with the semi-transparent walls. The choice of a model can be justified as it might be used to describe the production of the radioactive contaminated water when the radionuclide face the diffusion process after being washed from the radioactive wastes and the rests of the nuclear fuel. Within the suggested model it is shown that the diffusion coefficient depends on the structural properties of the liquid systems that might be changed under the influence of the irradiation. The obtained equations for calculating the diffusive flows show the definite stabilizing effect in respect to the concentration difference in between the boundaries of the plane-parallel pore. It leads to the decreased changes of the diffusive flow when the concentrations of the radioactive particles at the boundaries are changed in comparison with those observed for the constant diffusion coefficient. The observed behavior for the ideal solution model is explained by the entropy effects. The qualitative analysis of the possible influence of the changes in
On Perturbation Components Correspondence between Diffusion and Transport
Energy Technology Data Exchange (ETDEWEB)
G. Palmiotti
2012-11-01
We have established a correspondence between perturbation components in diffusion and transport theory. In particular we have established the correspondence between the leakage perturbation component of the diffusion theory to that of the group self scattering in transport theory. This has been confirmed by practical applications on sodium void reactivity calculations of fast reactors. Why this is important for current investigations? Recently, there has been a renewed interest in designing fast reactors where the sodium void reactivity coefficient is minimized. In particular the ASTRID8,9 reactor concept has been optimized with this goal in mind. The correspondence on the leakage term that has been established here has a twofold implication for the design of this kind of reactors. First, this type of reactor has a radial reflector; therefore, as shown before, the sodium void reactivity coefficient calculation requires the use of transport theory. The minimization of the sodium reactivity coefficient is normally done by increasing the leakage component that has a negative sign. The correspondence established in this paper allows to directly look at this component in transport theory. The second implication is related to the uncertainty evaluation on sodium void reactivity. As it has shown before, the total sodium void reactivity effect is the result of a large compensation (opposite sign) between the scattering (called often spectral) component and the leakage one. Consequently, one has to evaluate separately the uncertainty on each separate component and then combine them statistically. If one wants to compute the cross section sensitivity coefficients of the two different components, the formulation established in this paper allows to achieve this goal by playing on the contribution to the sodium void reactivity coming from the group self scattering of the sodium cross section.
Analysis of diffusive mass transport in a cracked buffer
International Nuclear Information System (INIS)
Garisto, N.C.; Garisto, F.
1989-11-01
In the disposal vault design for the Canadian Nuclear Fuel Waste Management Program, cylindrical containers of used nuclear fuel would be placed in vertical boreholes in rock and surrounded with a bentonite-based buffer material. The buffer is expected to absorb and/or retard radionuclides leaching from the fuel after the containers fail. There is some evidence, however, that the buffer may be susceptible to cracking. In this report we investigate numerically the consequences of cracking on uranium diffusion through the buffer. The derivation of the mass-transport equations and the numerical solution method are presented for the solubility-limited diffusion of uranium in a cracked buffer system for both swept-away and semi-impermeable boundary conditions at the rock-buffer interface. The results indicate that for swept-away boundary conditions the total uranium flux through the cracked buffer system is, as expected, greater than through the uncracked buffer. The effect of the cracks is strongly dependent on the ratio D/D eff , where D and D eff are the pore-water and the effective buffer diffusion coefficient, respectively. However, although a decrease in D eff enhances the effect of cracks on the total cumulative flux (relative to the uncracked buffer), it also decreases the total cumulative flux through the cracked buffer system (relative to a cracked buffer with a larger D eff value). Finally, for semi-impermeable boundary conditions, the effect of cracks on the total radionuclide flux is relatively small
THE LOS ALAMOS NATIONAL LABORATORY ATMOSPHERIC TRANSPORT AND DIFFUSION MODELS
Energy Technology Data Exchange (ETDEWEB)
M. WILLIAMS [and others
1999-08-01
The LANL atmospheric transport and diffusion models are composed of two state-of-the-art computer codes. The first is an atmospheric wind model called HOThlAC, Higher Order Turbulence Model for Atmospheric circulations. HOTMAC generates wind and turbulence fields by solving a set of atmospheric dynamic equations. The second is an atmospheric diffusion model called RAPTAD, Random Particle Transport And Diffusion. RAPTAD uses the wind and turbulence output from HOTMAC to compute particle trajectories and concentration at any location downwind from a source. Both of these models, originally developed as research codes on supercomputers, have been modified to run on microcomputers. Because the capability of microcomputers is advancing so rapidly, the expectation is that they will eventually become as good as today's supercomputers. Now both models are run on desktop or deskside computers, such as an IBM PC/AT with an Opus Pm 350-32 bit coprocessor board and a SUN workstation. Codes have also been modified so that high level graphics, NCAR Graphics, of the output from both models are displayed on the desktop computer monitors and plotted on a laser printer. Two programs, HOTPLT and RAPLOT, produce wind vector plots of the output from HOTMAC and particle trajectory plots of the output from RAPTAD, respectively. A third CONPLT provides concentration contour plots. Section II describes step-by-step operational procedures, specifically for a SUN-4 desk side computer, on how to run main programs HOTMAC and RAPTAD, and graphics programs to display the results. Governing equations, boundary conditions and initial values of HOTMAC and RAPTAD are discussed in Section III. Finite-difference representations of the governing equations, numerical solution procedures, and a grid system are given in Section IV.
Transport properties of dense matter
International Nuclear Information System (INIS)
Itoh, Naoki; Mitake, Shinichi; Iyetomi, Hiroshi; Ichimaru, Setsuo
1983-01-01
Transport coefficients, electrical and thermal conductivities in particular, are essential physical quantities for the theories of stellar structure. Since the discoveries of pulsars and X-ray stars, an accurate evaluation of the transport coefficients in the dense matter has become indispensable to the quantitative understanding of the observed neutron stars. The authors present improved calculations of the electrical and thermal conductivities of the dense matter in the liquid metal phase, appropriate to white dwarfs and neutron stars. (Auth.)
Diffusion properties of NAA in human corpus callosum as studied with diffusion tensor spectroscopy.
Upadhyay, Jaymin; Hallock, Kevin; Erb, Kelley; Kim, Dae-Shik; Ronen, Itamar
2007-11-01
In diffusion tensor imaging (DTI) the anisotropic movement of water is exploited to characterize microstructure. One confounding issue of DTI is the presence of intra- and extracellular components contributing to the measured diffusivity. This causes an ambiguity in determining the underlying cause of diffusion properties, particularly the fractional anisotropy (FA). In this study an intracellular constituent, N-acetyl aspartate (NAA), was used to probe intracellular diffusion, while water molecules were used to probe the combined intra- and extracellular diffusion. NAA and water diffusion measurements were made in anterior and medial corpus callosum (CC) regions, which are referred to as R1 and R2, respectively. FA(NAA) was found to be greater than FA(Water) in both CC regions, thus indicating a higher degree of anisotropy within the intracellular space in comparison to the combined intra- and extracellular spaces. A decreasing trend in the FA of NAA and water was observed between R1 and R2, while the radial diffusivity (RD) for both molecules increased. The increase in RD(NAA) is particularly significant, thus explaining the more significant decrease in FA(NAA) between the two regions. It is suggested that diffusion tensor spectroscopy of NAA can potentially be used to further characterize microscopic anatomic organization in white matter. Copyright 2007 Wiley-Liss, Inc.
Diffusion properties of active particles with directional reversal
International Nuclear Information System (INIS)
Großmann, R; Bär, M; Peruani, F
2016-01-01
The diffusion properties of self-propelled particles which move at constant speed and, in addition, reverse their direction of motion repeatedly are investigated. The internal dynamics of particles triggering these reversal processes is modeled by a stochastic clock. The velocity correlation function as well as the mean squared displacement is investigated and, furthermore, a general expression for the diffusion coefficient for self-propelled particles with directional reversal is derived. Our analysis reveals the existence of an optimal, finite rotational noise amplitude which maximizes the diffusion coefficient. We comment on the relevance of these results with regard to biological systems and suggest further experiments in this context. (paper)
International Nuclear Information System (INIS)
Melkior, Th.
2000-01-01
The subject of this work deals with the project of underground disposal of radioactive wastes in deep geological formations. It concerns the study of the migration of radionuclides through clays. In these materials, the main transport mechanism is assumed to be diffusion under natural conditions. Therefore, some diffusion experiments are conducted. With interacting solutes which present a strong affinity for the material, the duration of these tests will be too long, for the range of concentrations of interest. An alternative is to determine on one hand the geochemical retention properties using batch tests and crushed rock samples and, on the other hand, to deduce the transport parameters from diffusion tests realised with a non-interacting tracer, tritiated water. These data are then used to simulate the migration of the reactive elements with a numerical code which can deal with coupled chemistry-diffusion equations. The validity of this approach is tested by comparing the numerical simulations with the results of diffusion experiments of cations through a clay. The subject is investigated in the case of the diffusion of cesium, lithium and sodium through a compacted sodium bentonite. The diffusion tests are realised with the through-diffusion method. The comparison between the experimental results and the simulations shows that the latter tends to under estimate the propagation of the considered species. The differences could be attributed to surface diffusion and to a decrease of the accessibility to the sites of fixation of the bentonite, from the conditions of clay suspensions in batch tests to the situation of compacted samples. The influence of the experimental apparatus used during the diffusion tests on the results of the measurement has also been tested. It showed that these apparatus have to be taken into consideration when the experimental data are interpreted. A specific model has been therefore developed with the numerical code CASTEM 2000. (author)
Diffusion and transport in locally disordered driven lattices
Energy Technology Data Exchange (ETDEWEB)
Wulf, Thomas, E-mail: Thomas.Wulf@physnet.uni-hamburg.de; Okupnik, Alexander [Zentrum für Optische Quantentechnologien, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany); Schmelcher, Peter, E-mail: Peter.Schmelcher@physnet.uni-hamburg.de [Zentrum für Optische Quantentechnologien, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany); The Hamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany)
2016-09-15
We study the effect of disorder on the particle density evolution in a classical Hamiltonian driven lattice setup. If the disorder is localized within a finite sub-domain of the lattice, the emergence of strong tails in the density distribution which even increases towards larger positions is shown, thus yielding a highly non-Gaussian particle density evolution. As the key underlying mechanism, we identify the conversion between different components of the unperturbed systems mixed phase space which is induced by the disorder. Based on the introduction of individual conversion rates between chaotic and regular components, a theoretical model is developed which correctly predicts the scaling of the particle density. The effect of disorder on the transport properties is studied where a significant enhancement of the transport for cases of localized disorder is shown, thereby contrasting strongly the merely weak modification of the transport for global disorder.
Diffusion and transport in locally disordered driven lattices
International Nuclear Information System (INIS)
Wulf, Thomas; Okupnik, Alexander; Schmelcher, Peter
2016-01-01
We study the effect of disorder on the particle density evolution in a classical Hamiltonian driven lattice setup. If the disorder is localized within a finite sub-domain of the lattice, the emergence of strong tails in the density distribution which even increases towards larger positions is shown, thus yielding a highly non-Gaussian particle density evolution. As the key underlying mechanism, we identify the conversion between different components of the unperturbed systems mixed phase space which is induced by the disorder. Based on the introduction of individual conversion rates between chaotic and regular components, a theoretical model is developed which correctly predicts the scaling of the particle density. The effect of disorder on the transport properties is studied where a significant enhancement of the transport for cases of localized disorder is shown, thereby contrasting strongly the merely weak modification of the transport for global disorder.
Transport properties of alumina nanofluids
International Nuclear Information System (INIS)
Wong, Kau-Fui Vincent; Kurma, Tarun
2008-01-01
Recent studies have showed that nanofluids have significantly greater thermal conductivity compared to their base fluids. Large surface area to volume ratio and certain effects of Brownian motion of nanoparticles are believed to be the main factors for the significant increase in the thermal conductivity of nanofluids. In this paper all three transport properties, namely thermal conductivity, electrical conductivity and viscosity, were studied for alumina nanofluid (aluminum oxide nanoparticles in water). Experiments were performed both as a function of volumetric concentration (3-8%) and temperature (2-50 deg. C). Alumina nanoparticles with a mean diameter of 36 nm were dispersed in water. The effect of particle size was not studied. The transient hot wire method as described by Nagaska and Nagashima for electrically conducting fluids was used to test the thermal conductivity. In this work, an insulated platinum wire of 0.003 inch diameter was used. Initial calibration was performed using de-ionized water and the resulting data was within 2.5% of standard thermal conductivity values for water. The thermal conductivity of alumina nanofluid increased with both increase in temperature and concentration. A maximum thermal conductivity of 0.7351 W m -1 K -1 was recorded for an 8.47% volume concentration of alumina nanoparticles at 46.6 deg. C. The effective thermal conductivity at this concentration and temperature was observed to be 1.1501, which translates to an increase in thermal conductivity by 22% when compared to water at room temperature. Alumina being a good conductor of electricity, alumina nanofluid displays an increasing trend in electrical conductivity as volumetric concentration increases. A microprocessor-based conductivity/TDS meter was used to perform the electrical conductivity experiments. After carefully calibrating the conductivity meter's glass probe with platinum tip, using a standard potassium chloride solution, readings were taken at various
Sweeney, K. E.; Roering, J. J.; Rempel, A. W.
2012-12-01
Convex hilltops formed by diffusive sediment transport are a fundamental feature of soil-mantled landscapes worldwide. Additionally, the competition and interaction between hillslopes and valleys control basic topographic metrics, such as relief, drainage density, and breaks in slope-area scaling. Despite recent progress in erosive landscape experiments, no published work has explored the competition of hillslope diffusion and channel advection experimentally. Here, we present preliminary findings on the plausibility of needle ice driven frost creep as a mechanism for laboratory hillslope transport of wet sediment. In nature, needle ice is a diurnal form of ice segregation, whereby liquid water held in sediment pore space is driven upward toward a near-surface freezing front by a temperature-controlled liquid pressure gradient. As needles grow perpendicular to the surface, sediment is incorporated in the growing needle ice by temperature perturbations and associated downward shifts in the freezing front. Sediment then moves downslope due to melting or sublimation of the ice needles. We constructed a slope of saturated sediment in a freezer to constrain the temperature, grain size, and soil moisture limits on laboratory needle ice growth and sediment transport. Surficial sediment transport is measured during experimentation by tracking the movement of colored grains. Additionally, at the end of each run we measure depth-dependent sediment transport by taking slices of the experimental slope and observing the displacement of buried columns of colored grains. In agreement with past work, we find that with temperatures just below freezing, soil moisture above 35%, and silt-sized sediment, the moisture migration induced by freezing releases enough latent heat to maintain the location of the freezing front and encourage needle ice growth. Our experiments demonstrate that the amount of sediment incorporated during needle growth, i.e., the transport efficiency, can be
Transport properties of a piecewise linear transformation and deterministic Levy flights
International Nuclear Information System (INIS)
Miyaguchi, Tomoshige
2006-01-01
The transport properties of a 1-dimensional piecewise linear dynamical system are investigated through the spectrum of its Frobenius-Perron operator. For a class of initial densities, eigenvalues and eigenfunctions of the Frobenius-Perron operator are obtained explicitly. It is also found that in the long length wave limit, this system exhibits normal diffusion and super diffusion called Levy flight. The diffusion constant and stable index are derived from the eigenvalues. (author)
Energy Technology Data Exchange (ETDEWEB)
Kwong, S. [National Nuclear Laboratory (United Kingdom); Jivkov, A.P. [Research Centre for Radwaste and Decommissioning and Modelling and Simulation Centre, University of Manchester (United Kingdom)
2012-07-01
disposal system to evolve in a physically realistic manner. In the example presented the reactive-transport coupling develops chemically reducing zones, which limit the transport of uranium. This illustrates the potential significance of media degradation and chemical effect on the transport of radionuclides which would need to be taken into account when examining the long-term behaviour and containment properties of the geological disposal system. Microstructure-informed modelling and its potential linkage with continuum flow modelling is a subject of ongoing studies. The approach of microstructure-informed modelling is discussed to provide insight and a mechanistic understanding of macroscopic parameters and their evolution. The proposed theoretical and methodological basis for microstructure-informed modelling of porous quasi-brittle media has the potential to develop into an explanatory and predictive tool for deriving mechanism-based, as opposed to phenomenological, evolution laws for macroscopic properties. These concepts in micro-scale modelling are likely to be applicable to the diffusion process, in addition to advective transport illustrated here for porous media. (authors)
Nanofluidics thermodynamic and transport properties
Michaelides, Efstathios E (Stathis)
2014-01-01
This volume offers a comprehensive examination of the subject of heat and mass transfer with nanofluids as well as a critical review of the past and recent research projects in this area. Emphasis is placed on the fundamentals of the transport processes using particle-fluid suspensions, such as nanofluids. The nanofluid research is examined and presented in a holistic way using a great deal of our experience with the subjects of continuum mechanics, statistical thermodynamics, and non-equilibrium thermodynamics of transport processes. Using a thorough database, the experimental, analytical, and numerical advances of recent research in nanofluids are critically examined and connected to past research with medium and fine particles as well as to functional engineering systems. Promising applications and technological issues of heat/mass transfer system design with nanofluids are also discussed. This book also: Provides a deep scientific analysis of nanofluids using classical thermodynamics and statistical therm...
Diffusive charge transport in graphene on SiO 2
Chen, J.-H.; Jang, C.; Ishigami, M.; Xiao, S.; Cullen, W. G.; Williams, E. D.; Fuhrer, M. S.
2009-07-01
We review our recent work on the physical mechanisms limiting the mobility of graphene on SiO 2. We have used intentional addition of charged scattering impurities and systematic variation of the dielectric environment to differentiate the effects of charged impurities and short-range scatterers. The results show that charged impurities indeed lead to a conductivity linear in density ( σ(n)∝n) in graphene, with a scattering magnitude that agrees quantitatively with theoretical estimates; increased dielectric screening reduces the scattering from charged impurities, but increases the scattering from short-range scatterers. We evaluate the effects of the corrugations (ripples) of graphene on SiO 2 on transport by measuring the height-height correlation function. The results show that the corrugations cannot mimic long-range (charged impurity) scattering effects, and have too small an amplitude-to-wavelength ratio to significantly affect the observed mobility via short-range scattering. Temperature-dependent measurements show that longitudinal acoustic phonons in graphene produce a resistivity that is linear in temperature and independent of carrier density; at higher temperatures, polar optical phonons of the SiO 2 substrate give rise to an activated, carrier density-dependent resistivity. Together the results paint a complete picture of charge carrier transport in graphene on SiO 2 in the diffusive regime.
Intramyocardial oxygen transport by quantitative diffuse reflectance spectroscopy in calves
Lindbergh, Tobias; Larsson, Marcus; Szabó, Zoltán; Casimir-Ahn, Henrik; Strömberg, Tomas
2010-03-01
Intramyocardial oxygen transport was assessed during open-chest surgery in calves by diffuse reflectance spectroscopy using a small intramuscular fiber-optic probe. The sum of hemo- and myoglobin tissue fraction and oxygen saturation, the tissue fraction and oxidation of cytochrome aa3, and the tissue fraction of methemoglobin were estimated using a calibrated empirical light transport model. Increasing the oxygen content in the inhaled gas, 21%-50%-100%, in five calves (group A) gave an increasing oxygen saturation of 19+/-4%, 24+/-5%, and 28+/-8% (panimals increased with LVAD pump speed (p<0.001, ANOVA) and with oxygen content in inhaled gas (p<0.001, ANOVA). The cytochrome aa3 oxidation level was above 96% in both group A and group B calves, including the two cases involving cardiac arrest. In conclusion, the estimated tissue fractions and oxygenation/oxidation levels of the myocardial chromophores during respiratory and hemodynamic provocations were in agreement with previously presented results, demonstrating the potential of the method.
Ancey, C.; Bohorquez, P.; Heyman, J.
2015-12-01
The advection-diffusion equation is one of the most widespread equations in physics. It arises quite often in the context of sediment transport, e.g., for describing time and space variations in the particle activity (the solid volume of particles in motion per unit streambed area). Phenomenological laws are usually sufficient to derive this equation and interpret its terms. Stochastic models can also be used to derive it, with the significant advantage that they provide information on the statistical properties of particle activity. These models are quite useful when sediment transport exhibits large fluctuations (typically at low transport rates), making the measurement of mean values difficult. Among these stochastic models, the most common approach consists of random walk models. For instance, they have been used to model the random displacement of tracers in rivers. Here we explore an alternative approach, which involves monitoring the evolution of the number of particles moving within an array of cells of finite length. Birth-death Markov processes are well suited to this objective. While the topic has been explored in detail for diffusion-reaction systems, the treatment of advection has received no attention. We therefore look into the possibility of deriving the advection-diffusion equation (with a source term) within the framework of birth-death Markov processes. We show that in the continuum limit (when the cell size becomes vanishingly small), we can derive an advection-diffusion equation for particle activity. Yet while this derivation is formally valid in the continuum limit, it runs into difficulty in practical applications involving cells or meshes of finite length. Indeed, within our stochastic framework, particle advection produces nonlocal effects, which are more or less significant depending on the cell size and particle velocity. Albeit nonlocal, these effects look like (local) diffusion and add to the intrinsic particle diffusion (dispersal due
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.
Effect of water film trickling down diffuser walls on the diffuser properties
International Nuclear Information System (INIS)
Hibs, M.
1990-01-01
The effect of the water film flowing along one of the horizontal walls of a 2D diffuser was studied, the system being regarded as a model of the annular diffuser at the outlet of a steam turbine flown through by wet steam. The aerodynamic properties of the channel examined were found dependent on whether the water film continues to adhere to the wall or loses stability and sprays into the channel space. The increase in losses in the channel so flown through is quite substantial - the losses can multiply exceed those on flown-by walls free from a water film. (author). 7 figs., 1 tab., 2 refs
Multimodel analysis of anisotropic diffusive tracer-gas transport in a deep arid unsaturated zone
Green, Christopher T.; Walvoord, Michelle Ann; Andraski, Brian J.; Striegl, Robert G.; Stonestrom, David A.
2015-01-01
Gas transport in the unsaturated zone affects contaminant flux and remediation, interpretation of groundwater travel times from atmospheric tracers, and mass budgets of environmentally important gases. Although unsaturated zone transport of gases is commonly treated as dominated by diffusion, the characteristics of transport in deep layered sediments remain uncertain. In this study, we use a multimodel approach to analyze results of a gas-tracer (SF6) test to clarify characteristics of gas transport in deep unsaturated alluvium. Thirty-five separate models with distinct diffusivity structures were calibrated to the tracer-test data and were compared on the basis of Akaike Information Criteria estimates of posterior model probability. Models included analytical and numerical solutions. Analytical models provided estimates of bulk-scale apparent diffusivities at the scale of tens of meters. Numerical models provided information on local-scale diffusivities and feasible lithological features producing the observed tracer breakthrough curves. The combined approaches indicate significant anisotropy of bulk-scale diffusivity, likely associated with high-diffusivity layers. Both approaches indicated that diffusivities in some intervals were greater than expected from standard models relating porosity to diffusivity. High apparent diffusivities and anisotropic diffusivity structures were consistent with previous observations at the study site of rapid lateral transport and limited vertical spreading of gas-phase contaminants. Additional processes such as advective oscillations may be involved. These results indicate that gases in deep, layered unsaturated zone sediments can spread laterally more quickly, and produce higher peak concentrations, than predicted by homogeneous, isotropic diffusion models.
Transport Properties of Nanostructured Graphene
DEFF Research Database (Denmark)
Jauho, Antti-Pekka
2017-01-01
Despite of its many wonderful properties, pristine graphene has one major drawback: it does not have a band gap, which complicates its applications in electronic devices. Many routes have been suggested to overcome this difficulty, such as cutting graphene into nanoribbons, using chemical methods...... device operation. In this talk I elaborate these ideas and review the state-of-the-art both from the theoretical and the experimental points of view. I also introduce two new ideas: (1) triangular antidots, and (2) nanobubbles formed in graphene. Both of these nanostructuring methods are predicted...
Simulating liquid water for determining its structural and transport properties
International Nuclear Information System (INIS)
Arismendi-Arrieta, Daniel; Medina, Juan S.; Fanourgakis, George S.; Prosmiti, Rita; Delgado-Barrio, Gerardo
2014-01-01
Molecular dynamics simulations are carried out for calculating structural and transport properties of pure liquid water, such as radial distribution functions and self-diffusion and viscosity coefficients, respectively. We employed reparameterized versions of the ab initio water potential by Niesar, Clementi and Corongiu (NCC). In order to investigate the role of the electrostatic contribution, the partial charges of the NCC model are adjusted so that to reproduce the dipole moment values of the SPC/E, SPC/Fw and TIP4P/2005 water models. The single and collective transport coefficients are obtained by employing the Green–Kubo relations at various temperatures. Additionally, in order to overcome convergence difficulties arising from the long correlation times of the stress-tensor autocorrelation functions, a previously reported fitting scheme was employed. The present results indicate that there is a significant relationship between the dipole moment value of the model, and the calculated transport coefficients. We found that by adjusting the molecular dipole moment of the NCC to the value of the TIP4P/2005, the obtained values for the self-diffusion and viscosity coefficients are in better agreement with experiment, compared to the values obtained with the original NCC model. Even though the predictions of the present model exhibits an overall correct behavior, we conclude that further improvements are still required. In order to achieve that, a careful reparameterization of the repulsion–dispersion terms of the potential model is proposed. Also, the effect of the inclusion of many-body effects such as polarizability, should also be investigated. - Highlights: ► Transport properties of liquid water are important in bio-simulations. ► Self-diffusion coefficient, shear and bulk viscosities calculations from NVE molecular dynamics simulations. ► Their comparison with experimental data provides information on intermolecular forces, and serve to develop water
International Nuclear Information System (INIS)
Sathyabama, N.; Mohanakrishnan, P.; Lee, S.M.
1994-01-01
A systematic analysis has been performed by 3 dimensional diffusion and transport methods to calculate the measured control rod worths and subassembly wise power distribution in fast breeder test reactor. Geometry corrections (rectangular to hexagonal and diffusion to transport corrections are estimated for multiplication factors and control rod worths. Calculated control rod worths by diffusion and transport theory are nearly the same and 10% above measured values. Power distribution in the core periphery is over predicted (15%) by diffusion theory. But, this over prediction reduces to 8% by use of the S N method. (authors). 9 refs., 4 tabs., 3 fig
Simulation of Electron and Ion Transport in Methane-Air Counterflow Diffusion Flames
Choi, Sangkyu; Bisetti, Fabrizio; Chung, Suk Ho
2010-11-01
The spatial distribution of charged species in a methane-air counterflow diffusion flame is simulated with a detailed ion chemistry. The electric field induced by the distribution of charged species is calculated and compared to that obtained invoking the ambipolar diffusion assumption. The two calculations showed identical profiles for charged species and electric field. The profiles of ion mole fractions show two peaks: one near the maximum temperature and a second peak on the oxidizer side. The major ions near the maximum temperature are electron, C2H3O+ and H3O+. CHO3- and H3O+ contribute to the second peak. These profiles are quite different from those adopting a simplified three-step mechanism based solely on E-, CHO+ and H3O+, which shows only a single peak. Reaction pathway analyses showed that near the flame region, the proton is transferred by the path of CHO+ -> H3O+ -> C2H3O+ -> CHO+ in a circulating manner. In the second peak, CHO3- is produced though the pathway of E- -> O- -> OH- -> CHO3-. The sensitivity of the charged species profiles to transport properties is investigated, and it is found that the variation of charged species profiles near peak temperature is relatively small, while on the oxidizer side, it is quite sensitive to transport properties.
Electronic transport properties of pentacene single crystals upon exposure to air
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
Parallel computing for homogeneous diffusion and transport equations in neutronics
International Nuclear Information System (INIS)
Pinchedez, K.
1999-06-01
Parallel computing meets the ever-increasing requirements for neutronic computer code speed and accuracy. In this work, two different approaches have been considered. We first parallelized the sequential algorithm used by the neutronics code CRONOS developed at the French Atomic Energy Commission. The algorithm computes the dominant eigenvalue associated with PN simplified transport equations by a mixed finite element method. Several parallel algorithms have been developed on distributed memory machines. The performances of the parallel algorithms have been studied experimentally by implementation on a T3D Cray and theoretically by complexity models. A comparison of various parallel algorithms has confirmed the chosen implementations. We next applied a domain sub-division technique to the two-group diffusion Eigen problem. In the modal synthesis-based method, the global spectrum is determined from the partial spectra associated with sub-domains. Then the Eigen problem is expanded on a family composed, on the one hand, from eigenfunctions associated with the sub-domains and, on the other hand, from functions corresponding to the contribution from the interface between the sub-domains. For a 2-D homogeneous core, this modal method has been validated and its accuracy has been measured. (author)
Cooperative learning of neutron diffusion and transport theories
International Nuclear Information System (INIS)
Robinson, Michael A.
1999-01-01
A cooperative group instructional strategy is being used to teach a unit on neutron transport and diffusion theory in a first-year-graduate level, Reactor Theory course that was formerly presented in the traditional lecture/discussion style. Students are divided into groups of two or three for the duration of the unit. Class meetings are divided into traditional lecture/discussion segments punctuated by cooperative group exercises. The group exercises were designed to require the students to elaborate, summarize, or practice the material presented in the lecture/discussion segments. Both positive interdependence and individual accountability are fostered by adjusting individual grades on the unit exam by a factor dependent upon group achievement. Group collaboration was also encouraged on homework assignments by assigning each group a single grade on each assignment. The results of the unit exam have been above average in the two classes in which the cooperative group method was employed. In particular, the problem solving ability of the students has shown particular improvement. Further,the students felt that the cooperative group format was both more educationally effective and more enjoyable than the lecture/discussion format
International Nuclear Information System (INIS)
Zhong, Xinxin; Zhao, Yi; Cao, Jianshu
2014-01-01
The time-dependent wavepacket diffusion method for carrier quantum dynamics (Zhong and Zhao 2013 J. Chem. Phys. 138 014111), a truncated version of the stochastic Schrödinger equation/wavefunction approach that approximately satisfies the detailed balance principle and scales well with the size of the system, is applied to investigate the carrier transport in one-dimensional systems including both the static and dynamic disorders on site energies. The predicted diffusion coefficients with respect to temperature successfully bridge from band-like to hopping-type transport. As demonstrated in paper I (Moix et al 2013 New J. Phys. 15 085010), the static disorder tends to localize the carrier, whereas the dynamic disorder induces carrier dynamics. For the weak dynamic disorder, the diffusion coefficients are temperature-independent (band-like property) at low temperatures, which is consistent with the prediction from the Redfield equation, and a linear dependence of the coefficient on temperature (hopping-type property) only appears at high temperatures. In the intermediate regime of dynamic disorder, the transition from band-like to hopping-type transport can be easily observed at relatively low temperatures as the static disorder increases. When the dynamic disorder becomes strong, the carrier motion can follow the hopping-type mechanism even without static disorder. Furthermore, it is found that the memory time of dynamic disorder is an important factor in controlling the transition from the band-like to hopping-type motions. (paper)
Transport properties of quasi-free Fermions
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.
International Nuclear Information System (INIS)
Shit, Anindita; Chattopadhyay, Sudip; Chaudhuri, Jyotipratim Ray
2012-01-01
Graphical abstract: By invoking physically motivated coordinate transformation into quantum Smoluchowski equation, we have presented a transparent treatment for the determination of the effective diffusion coefficient and current of a quantum Brownian particle. Substantial enhancement in the efficiency of the diffusive transport is envisaged due to the quantum correction effects. Highlights:: ► Transport of a quantum Brownian particle in a periodic potential has been addressed. ► Governing quantum Smoluchowski equation (QSE) includes state dependent diffusion. ► A coordinate transformation is used to recast QSE with constant diffusion. ► Transport properties increases in comparison to the corresponding classical result. ► This enhancement is purely a quantum effect. - Abstract: The transport property of a quantum Brownian particle that interacts strongly with a bath (in which a typical damping constant by far exceeds a characteristic frequency of the isolated system) under the influence of a tilted periodic potential has been studied by solving quantum Smoluchowski equation (QSE). By invoking physically motivated coordinate transformation into QSE, we have presented a transparent treatment for the determination of the effective diffusion coefficient of a quantum Brownian particle and the current (the average stationary velocity). Substantial enhancement in the efficiency of the diffusive transport is envisaged due to the quantum correction effects only if the bath temperature hovers around an appropriate range of intermediate values. Our findings also confirm the results obtained in the classical cases.
Transport Properties of operational gas mixtures used at LHC
Assran, Yasser
2011-01-01
This report summarizes some useful data on the transport characteristics of gas mixtures which are required for detection of charged particles in gas detectors. We try to replace Freon used for RPC detector in the CMS experiment with another gas while maintaining the good properties of the Freon gas mixture unchanged. We try to switch to freonless gas mixture because Freon is not a green gas, it is very expensive and its availability is decreasing. Noble gases like Ar, He, Ne and Xe (with some quenchers like carbon dioxide, methane, ethane and isobutene) are investigated. Transport parameters like drift velocity, diffusion, Townsend coefficient, attachment coefficient and Lorentz angle are computed using Garfield software for different gas mixtures and compared with experimental data.
Ancey, Christophe; Bohorquez, Patricio; Heyman, Joris
2016-04-01
The advection-diffusion equation arises quite often in the context of sediment transport, e.g., for describing time and space variations in the particle activity (the solid volume of particles in motion per unit streambed area). Stochastic models can also be used to derive this equation, with the significant advantage that they provide information on the statistical properties of particle activity. Stochastic models are quite useful when sediment transport exhibits large fluctuations (typically at low transport rates), making the measurement of mean values difficult. We develop an approach based on birth-death Markov processes, which involves monitoring the evolution of the number of particles moving within an array of cells of finite length. While the topic has been explored in detail for diffusion-reaction systems, the treatment of advection has received little attention. We show that particle advection produces nonlocal effects, which are more or less significant depending on the cell size and particle velocity. Albeit nonlocal, these effects look like (local) diffusion and add to the intrinsic particle diffusion (dispersal due to velocity fluctuations), with the important consequence that local measurements depend on both the intrinsic properties of particle displacement and the dimensions of the measurement system.
Sorbate Transport in Carbon Molecular Sieve Membranes and FAU/EMT Intergrowth by Diffusion NMR
Directory of Open Access Journals (Sweden)
John J. Low
2012-02-01
Full Text Available In this paper we present and discuss selected results of our recent studies of sorbate self-diffusion in microporous materials. The main focus is given to transport properties of carbon molecular sieve (CMS membranes as well as of the intergrowth of FAU-type and EMT-type zeolites. CMS membranes show promise for applications in separations of mixtures of small gas molecules, while FAU/EMT intergrowth can be used as an active and selective cracking catalyst. For both types of applications diffusion of guest molecules in the micropore networks of these materials is expected to play an important role. Diffusion studies were performed by a pulsed field gradient (PFG NMR technique that combines advantages of high field (17.6 T NMR and high magnetic field gradients (up to 30 T/m. This technique has been recently introduced at the University of Florida in collaboration with the National Magnet Lab. In addition to a more conventional proton PFG NMR, also carbon-13 PFG NMR was used.
Volumetric vs Mass Velocity in Analyzing Convective-Diffusive Transport Processes in Liquids
Brenner, Howard
2000-11-01
Because mass rather than volume is preserved in fluid-mechanical problems involving density changes, a natural predilection exists for quantifying convective-diffusive transport phenomena in terms of a velocity field based upon mass, rather than volume. Indeed, in the classic BSL "Transport Phenomena" textbook, but a single reference exists even to the very concept of a volume velocity, and even then it is relegated to a homework assignment. However, especially when dealing with transport in fluids in which the mass density of the conserved property being transported (e.g., chemical species, internal energy, etc.) is independent of the prevailing pressure, as is largely true in the case of liquids, overwhelming advantages exist is preferring the volume velocity over the more ubiquitous and classical mass velocity. In a generalization of ideas pioneered by D. D. Joseph and co-workers, we outline the reasons for this volumetric velocity preference in a broad general context by identifying a large class of physical problems whose solutions are rendered more accessible by exploiting this unconventional velocity choice.
Liot, O; Socol, M; Garcia, L; Thiéry, J; Figarol, A; Mingotaud, A F; Joseph, P
2018-06-13
This paper presents experimental results about transport of dilute suspensions of nano-objects in silicon-glass micrometric and sub-micrometric channels. Two kinds of objects are used: solid, rigid latex beads and spherical capsule-shaped, soft polymersomes. They are tracked using fluorescence microscopy. Three aspects are studied: confinement (ratio between particle diameter and channel depth), Brownian diffusion and particle nature. The aim of this work is to understand how these different aspects affect the transport of suspensions in narrow channels and to understand the different mechanisms at play. Concerning the solid beads we observe the appearance of two regimes, one where the experimental mean velocity is close to the expected one and another where this velocity is lower. This is directly related to a competition between confinement, Brownian diffusion and advection. These two regimes are shown to be linked to the inhomogeneity of particles distribution in the channel depth, which we experimentally deduce from velocity distributions. This inhomogeneity appears during the entrance process into the sub-micrometric channels, as for hydrodynamic separation or deterministic lateral displacement. Concerning the nature of the particles we observed a shift of transition towards the second regime likely due to the relationships between shear stress and polymersomes mechanical properties which could reduce the inhomogeneity imposed by the geometry of our device.
Liot, O.; Socol, M.; Garcia, L.; Thiéry, J.; Figarol, A.; Mingotaud, A. F.; Joseph, P.
2018-06-01
This paper presents experimental results about transport of dilute suspensions of nano-objects in silicon-glass micrometric and sub-micrometric channels. Two kinds of objects are used: solid, rigid latex beads and spherical capsule-shaped, soft polymersomes. They are tracked using fluorescence microscopy. Three aspects are studied: confinement (ratio between particle diameter and channel depth), Brownian diffusion and particle nature. The aim of this work is to understand how these different aspects affect the transport of suspensions in narrow channels and to understand the different mechanisms at play. Concerning the solid beads we observe the appearance of two regimes, one where the experimental mean velocity is close to the expected one and another where this velocity is lower. This is directly related to a competition between confinement, Brownian diffusion and advection. These two regimes are shown to be linked to the inhomogeneity of particles distribution in the channel depth, which we experimentally deduce from velocity distributions. This inhomogeneity appears during the entrance process into the sub-micrometric channels, as for hydrodynamic separation or deterministic lateral displacement. Concerning the nature of the particles we observed a shift of transition towards the second regime likely due to the relationships between shear stress and polymersomes mechanical properties which could reduce the inhomogeneity imposed by the geometry of our device.
A method to investigate the diffusion properties of nuclear calcium.
Queisser, Gillian; Wittum, Gabriel
2011-10-01
Modeling biophysical processes in general requires knowledge about underlying biological parameters. The quality of simulation results is strongly influenced by the accuracy of these parameters, hence the identification of parameter values that the model includes is a major part of simulating biophysical processes. In many cases, secondary data can be gathered by experimental setups, which are exploitable by mathematical inverse modeling techniques. Here we describe a method for parameter identification of diffusion properties of calcium in the nuclei of rat hippocampal neurons. The method is based on a Gauss-Newton method for solving a least-squares minimization problem and was formulated in such a way that it is ideally implementable in the simulation platform uG. Making use of independently published space- and time-dependent calcium imaging data, generated from laser-assisted calcium uncaging experiments, here we could identify the diffusion properties of nuclear calcium and were able to validate a previously published model that describes nuclear calcium dynamics as a diffusion process.
Water transport in gas diffusion media for PEM fuel cells. Experimental and numerical investigation
Energy Technology Data Exchange (ETDEWEB)
Roth, Joerg
2010-08-20
micro porous layered gas diffusion media arrangements were tested. The dynamic aspects of fuel cell operation are addressed by 2D investigation. The achieved spatial resolutions are 625 {mu}m by 313 {mu}m by 20 {mu}m voxel sizes at a temporal resolution of 2 hrs in 3D, while the spatial 2D resolution is 313 {mu}m by 20 {mu}m at a temporal resolution of 1 min. It is found that the state-of-the-art NMR experiment interferes strongly with fuel cell operation. The operating conditions are limited to near room temperatures ({<=} 50 C), low current densities ({approx} 0.1 A/cm{sup 2}) and electrically relatively low conductive gas diffusion media (SGL 21AA). Under such conditions, the findings of the 3D visualisation experiment reveals a high water saturation in the cathode diffusion medium close to the interface with the membrane and at the interfaces with the rib. The saturation stays low in the centre of the diffusion medium at the cathode side. Where the cathode diffusion medium faces a channel, the water saturation is high only at the membrane interface. This result, as well as the finding of the dynamic 2D visualisation indicating that the water transport is temporally discontinuous, are in agreement with the major finding of the ex-situ permeation experiment. It is found in the permeation experiment that the conditions of the interfaces of a thin porous material like the gas diffusion medium are more dominant on the liquid water transport than the bulk properties, especially if a dry low-pressure boundary exists. This is also indicated by the free surface modelling. The work suggests that the classical macroscopic water transport model, based on Darcy's law, is not able to describe water transport in fuel cell gas diffusion media satisfyingly for dry boundary conditions, or in cases where transient phenomena become important. The numerical free surface modelling has the potential to be a useful tool to describe water transport in thin, hydrophobic, partially
Actinide transport in Topopah Spring Tuff: Pore size, particle size, and diffusion
International Nuclear Information System (INIS)
Buchholtz ten Brink, M.; Phinney, D.L.; Smith, D.K.
1991-04-01
Diffusive transport rates for aqueous species in a porous medium are a function of sorption, molecular diffusion, and sample tortuosity. With heterogeneous natural samples, an understanding of the effect of multiple transport paths and sorption mechanisms is particularly important since a small amount of radioisotope traveling via a faster-than-anticipated transport path may invalidate the predictions of transport codes which assume average behavior. Static-diffusion experiments using aqueous 238 U tracer in tuff indicated that U transport was faster in regions of greater porosity and that apparent diffusion coefficients depended on the scale (m or μm) over which concentration gradients were measured in Topopah Spring Tuff. If a significant fraction of actinides in high-level waste are released to the environment in forms that do not sorb to the matrix, they may be similarly transported along fast paths in porous regions of the tuff. To test this, aqueous diffusion rates in tuff were measured for 238 U and 239 Pu leached from doped glass. Measured transport rates and patterns were consistent in both systems with a dual-porosity transported moeld. In addition, filtration or channelling of actinides associated with colloidal particles may significantly affect the radionuclide transport rate in Topopah Spring tuff. 9 refs., 7 figs
Assessment of GABARAP self-association by its diffusion properties
International Nuclear Information System (INIS)
Pacheco, Victor; Ma Peixiang; Thielmann, Yvonne; Hartmann, Rudolf; Weiergraeber, Oliver H.; Mohrlueder, Jeannine; Willbold, Dieter
2010-01-01
Gamma-aminobutyric acid type A receptor-associated protein (GABARAP) belongs to a family of small ubiquitin-like adaptor proteins implicated in intracellular vesicle trafficking and autophagy. We have used diffusion-ordered nuclear magnetic resonance spectroscopy to study the temperature and concentration dependence of the diffusion properties of GABARAP. Our data suggest the presence of distinct conformational states and provide support for self-association of GABARAP molecules. Assuming a monomer-dimer equilibrium, a temperature-dependent dissociation constant could be derived. Based on a temperature series of 1 H 15 N heteronuclear single quantum coherence nuclear magnetic resonance spectra, we propose residues potentially involved in GABARAP self-interaction. The possible biological significance of these observations is discussed with respect to alternative scenarios of oligomerization.
Non-kinematic Flux-transport Dynamos Including the Effects of Diffusivity Quenching
Energy Technology Data Exchange (ETDEWEB)
Ichimura, Chiaki; Yokoyama, Takaaki [Department of Earth and Planetary Science, The University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)
2017-04-10
Turbulent magnetic diffusivity is quenched when strong magnetic fields suppress turbulent motion in a phenomenon known as diffusivity quenching. Diffusivity quenching can provide a mechanism for amplifying magnetic field and influencing global velocity fields through Lorentz force feedback. To investigate this effect, we conducted mean field flux-transport dynamo simulations that included the effects of diffusivity quenching in a non-kinematic regime. We found that toroidal magnetic field strength is amplified by up to approximately 1.5 times in the convection zone as a result of diffusivity quenching. This amplification is much weaker than that in kinematic cases as a result of Lorentz force feedback on the system’s differential rotation. While amplified toroidal fields lead to the suppression of equatorward meridional flow locally near the base of the convection zone, large-scale equatorward transport of magnetic flux via meridional flow, which is the essential process of the flux-transport dynamo, is sustainable in our calculations.
Diffusion equation and spin drag in spin-polarized transport
DEFF Research Database (Denmark)
Flensberg, Karsten; Jensen, Thomas Stibius; Mortensen, Asger
2001-01-01
We study the role of electron-electron interactions for spin-polarized transport using the Boltzmann equation, and derive a set of coupled transport equations. For spin-polarized transport the electron-electron interactions are important, because they tend to equilibrate the momentum of the two-s...
Universal properties of relaxation and diffusion in condensed matter
International Nuclear Information System (INIS)
Ngai K L
2017-01-01
By and large the research communities today are not fully aware of the remarkable universality in the dynamic properties of many-body relaxation/diffusion processes manifested in experiments and simulations on condensed matter with diverse chemical compositions and physical structures. I shall demonstrate the universality first from the dynamic processes in glass-forming systems. This is reinforced by strikingly similar properties of different processes in contrasting interacting systems all having nothing to do with glass transition. The examples given here include glass-forming systems of diverse chemical compositions and physical structures, conductivity relaxation of ionic conductors (liquid, glassy, and crystalline), translation and orientation ordered phase of rigid molecule, and polymer chain dynamics. Universality is also found in the change of dynamics when dimension is reduced to nanometer size in widely different systems. The remarkable universality indicates that many-body relaxation/diffusion is governed by fundamental physics to be unveiled. One candidate is classical chaos on which the coupling model is based, Universal properties predicted by this model are in accord with diverse experiments and simulations. (paper)
Transport-diffusion comparisons for small core LMFBR disruptive accidents
International Nuclear Information System (INIS)
Tomlinson, E.T.
1977-11-01
A number of numerical experiments were performed to assess the validity of diffusion theory for calculating the reactivity state of various small core LMFBR disrupted geometries. The disrupted configurations correspond, in general, to various configurations predicted by SAS3A for transient undercooling (TUC) and transient overpower (TOP) accidents for homogeneous cores and to the ZPPR-7 configurations for heterogeneous core. In all TUC cases diffusion theory was shown to be inadequate for the calculation of reactivity changes during core disassembly
A symmetrized quasi-diffusion method for solving multidimensional transport problems
International Nuclear Information System (INIS)
Miften, M.M.; Larsen, E.W.
1992-01-01
In this paper, the authors propose a 'symmetrized' QD (SQD) method in which the non-self-adjoint QD diffusion problem is replaced by two self-adjoint diffusion problems. These problems are more easily discretized and more efficiently solved than in the standard QD method. They also give SQD calculational results for transport problems in x-y geometry
Carbon dioxide sequestration: Modeling the diffusive and convective transport under a CO2 cap
Allen, Rebecca; Sun, Shuyu
2012-01-01
of low permeability. CO2 from this ‘capped' region diffuses into the fluid underlying it, and the resulting CO2-fluid mixture increases in density. This increase in density leads to gravity-driven convection. Accordingly, diffusive-convective transport
Hu, Jiuning; Chen, Yong P.
2013-06-01
We show that in a finite one-dimensional (1D) system with diffusive thermal transport described by the Fourier's law, negative differential thermal conductance (NDTC) cannot occur when the temperature at one end is fixed and there are no abrupt junctions. We demonstrate that NDTC in this case requires the presence of junction(s) with temperature-dependent thermal contact resistance (TCR). We derive a necessary and sufficient condition for the existence of NDTC in terms of the properties of the TCR for systems with a single junction. We show that under certain circumstances we even could have infinite (negative or positive) differential thermal conductance in the presence of the TCR. Our predictions provide theoretical basis for constructing NDTC-based devices, such as thermal amplifiers, oscillators, and logic devices.
Non-diffusive transport in 3-D pressure driven plasma turbulence
International Nuclear Information System (INIS)
Del-Castillo-Negrete, D.; Carreras, B.A.; Lynch, V.
2005-01-01
Numerical evidence of non-diffusive transport in 3-dimensional, resistive, pressure-gradient-driven plasma turbulence is presented. It is shown that the probability density function (pdf) of tracers is strongly non-Gaussian and exhibits algebraic decaying tails. To describe these results, a transport model using fractional derivative operators in proposed. The model incorporates in a unified way non-locality (i.e., non-Fickian transport), memory effects (i.e., non-Markovian transport), and non-diffusive scaling features known to be present in fusion plasmas. There is quantitative agreement between the model and the turbulent transport numerical calculations. In particular, the model reproduces the shape and space-time scaling of the pdf, and the super-diffusive scaling of the moments. (author)
Ionic diffusion in quartz studied by transport measurements, SIMS and atomistic simulations
International Nuclear Information System (INIS)
Sartbaeva, Asel; Wells, Stephen A; Redfern, Simon A T; Hinton, Richard W; Reed, Stephen J B
2005-01-01
Ionic diffusion in the quartz-β-eucryptite system is studied by DC transport measurements, SIMS and atomistic simulations. Transport data show a large transient increase in ionic current at the α-β phase transition of quartz (the Hedvall effect). The SIMS data indicate two diffusion processes, one involving rapid Li + motion and the other involving penetration of Al and Li atoms into quartz at the phase transition. Atomistic simulations explain why the fine microstructure of twin domain walls in quartz near the transition does not hinder Li + diffusion
Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium
Hunt, J. L.; Boney, L. R.
1973-01-01
Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.
Application of diffusion theory to neutral atom transport in fusion plasmas
International Nuclear Information System (INIS)
Hasan, M.Z.; Conn, R.W.; Pomraning, G.C.
1987-01-01
It is found that the energy dependent diffusion theory provides excellent accuracy in the modelling of transport of neutral atoms in fusion plasmas. Two reasons in particular explain the good accuracy. First, while the plasma is optically thick for low energy neutrals, it is optically thin for high energy neutrals and the diffusion theory with Marshak boundary conditions gives accurate results for an optically thin medium, even for small values of c, the ratio of the scattering cross-section to the total cross-section. Second, the effective value of c at low energy is very close to 1 because of the downscattering via collisions of high energy neutrals. The first reason is proven computationally and theoretically by solving the transport equation in a power series in c and solving the diffusion equation with 'general' Marshak boundary conditions. The second reason is established numerically by comparing the results from a one-dimensional, general geometry, multigroup diffusion theory code, written for this purpose, with the results obtained using the transport code ANISN. Earlier studies comparing one-speed diffusion and transport theory indicated that the diffusion theory would be inaccurate. A detailed analysis shows that this conclusion is limited to a very specific case. Surprisingly, for a very wide range of conditions and when energy dependence is included, the diffusion theory is highly accurate. (author)
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
Quantum Transmission Conditions for Diffusive Transport in Graphene with Steep Potentials
Barletti, Luigi; Negulescu, Claudia
2018-05-01
We present a formal derivation of a drift-diffusion model for stationary electron transport in graphene, in presence of sharp potential profiles, such as barriers and steps. Assuming the electric potential to have steep variations within a strip of vanishing width on a macroscopic scale, such strip is viewed as a quantum interface that couples the classical regions at its left and right sides. In the two classical regions, where the potential is assumed to be smooth, electron and hole transport is described in terms of semiclassical kinetic equations. The diffusive limit of the kinetic model is derived by means of a Hilbert expansion and a boundary layer analysis, and consists of drift-diffusion equations in the classical regions, coupled by quantum diffusive transmission conditions through the interface. The boundary layer analysis leads to the discussion of a four-fold Milne (half-space, half-range) transport problem.
International Nuclear Information System (INIS)
Bajja, Zineb
2016-01-01
Thanks to its high mechanical strength and its potential containment capacity conferred by a compact microstructure, concrete is considered as the most suitable material to compose the engineered barrier of some radioactive waste storage structure. Knowledge of diffusion properties and microstructure of these cementitious materials is then essential to study their long-term durability. In a more specific context of low and intermediate waste management, the use of formulations containing silica fume (SF) appears of great importance. The experimental approach consists in selecting many formulations of pastes and mortars to test by the HTO through-out diffusion test. Their initial compositions (water to binder ratio, SF content, sand content and particle size) were varied in order to browse different microstructures and diffusion properties, and to see the influence of each parameter (water, SF, content and grain size of sand) on the evolution of diffusivity within these materials. The microstructure was investigated to interpret the obtained values of diffusion coefficients. Different complementary techniques have been used to characterize the porous structure (water and mercury intrusion porosimetry, nitrogen adsorption), to verify SF reactivity (TGA, SEM associated to EDS) or to determine the profile porosity at ITZ (SEM combined with image analysis).The relationship between microstructure and diffusion coefficients (DeHTO) was then discussed. The ultimate goal was to find a link between microstructure properties and transport parameters to estimate from a simple characterization, the DeHTO of concrete, difficult to get from HTO diffusion cells test. Other attempts have also been made to try to assess the concrete diffusion coefficient, such as the multi-scale modeling approach (the scale of hydrates 3D model), or the diffusion of other elements ( like oxygen or nitrogen). This study shows that silica fume agglomerates (slurry) observed in cement paste and mortar
Diffusive transport of radon in a homogeneous column of dry sand
van der Spoel, W.H.; van der Graaf, E.R.; de Meijer, R.J.
To validate a model for radon transport in soil, measurements of diffusive radon transport under well-defined and controlled conditions have been made in a homogeneous column of dry sand with an air-filled volume on top. This volume simulates a crawl space. The measurements concern time-dependent
Pal, van der M.; Graaf, van der E.R.; Meijer, de R.J.; Wit, de M.H.; Hendriks, N.A.
2000-01-01
This study describes an approach for measuring and modelling diffusive and advective transport of radon through building materials. The goal of these measurements and model calculations is to improve our understanding concerning the factors influencing the transport of radon through building
Persistent wind-induced enhancement of diffusive CO2 transport in a mountain forest snowpack
D. R. Bowling; W. J. Massman
2011-01-01
Diffusion dominates the transport of trace gases between soil and the atmosphere. Pressure gradients induced by atmospheric flow and wind interacting with topographical features cause a small but persistent bulk flow of air within soil or snow. This forcing, called pressure pumping or wind pumping, leads to a poorly quantified enhancement of gas transport beyond the...
Interface methods for hybrid Monte Carlo-diffusion radiation-transport simulations
International Nuclear Information System (INIS)
Densmore, Jeffery D.
2006-01-01
Discrete diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Monte Carlo simulations in diffusive media. An important aspect of DDMC is the treatment of interfaces between diffusive regions, where DDMC is used, and transport regions, where standard Monte Carlo is employed. Three previously developed methods exist for treating transport-diffusion interfaces: the Marshak interface method, based on the Marshak boundary condition, the asymptotic interface method, based on the asymptotic diffusion-limit boundary condition, and the Nth-collided source technique, a scheme that allows Monte Carlo particles to undergo several collisions in a diffusive region before DDMC is used. Numerical calculations have shown that each of these interface methods gives reasonable results as part of larger radiation-transport simulations. In this paper, we use both analytic and numerical examples to compare the ability of these three interface techniques to treat simpler, transport-diffusion interface problems outside of a more complex radiation-transport calculation. We find that the asymptotic interface method is accurate regardless of the angular distribution of Monte Carlo particles incident on the interface surface. In contrast, the Marshak boundary condition only produces correct solutions if the incident particles are isotropic. We also show that the Nth-collided source technique has the capacity to yield accurate results if spatial cells are optically small and Monte Carlo particles are allowed to undergo many collisions within a diffusive region before DDMC is employed. These requirements make the Nth-collided source technique impractical for realistic radiation-transport calculations
Electrolytes: transport properties and non-equilibrium thermodynamics
International Nuclear Information System (INIS)
Miller, D.G.
1980-12-01
This paper presents a review on the application of non-equilibrium thermodynamics to transport in electrolyte solutions, and some recent experimental work and results for mutual diffusion in electrolyte solutions
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)
Transport properties near the superfluid transition in helium
International Nuclear Information System (INIS)
Ikushima, Akira
1980-01-01
Description are given primarily on recent experimental results and related topics of acoustic attenuation and dispersion, and of thermal transport properties near the superfluid transition in pure 4 He and 3 He- 4 He mixtures ( 3 He). Attenuation and dispersion of sound above the lambda point T sub(lambda) can well be understood fundamentally from the dynamic scaling hypothesis with the mode coupling theory. Attenuation and dispersion at T sub(lambda) as a function of frequency is expressed with the exponent which is slightly dependent on frequency and on 3 He concentration. The situation below T sub(lambda) would still have problems since at higher frequencies the simple splitting of observed attenuation and dispersion into that due to order-parameter fluctuation and that due to order-parameter relaxation proposed by Pokrovskii and Khalatnikov does not work. The possibility that the recent theory of Ferrell and Bhattacharjee offers explanations for the results above and below T sub(lambda) is discussed. Thermal conductivity in 4 He and mixtures, and thermo-diffusion ratio in mixtures are measured near the superfluid transition points. Thermal conductivity in the absence of a concentration gradient and its corresponding thermal diffusivity are then calculated. The critical exponent of this thermal diffusivity is approximately 1/3, irrespective of 3 He concentration. The thermo-diffusion ratio has very weak divergence, if any, when T sub(lambda) is approached. Two damping modes in mixtures in non-stationary condition are then calculated. Only the mode corresponding to the Brillouin linewidth does diverge with critical exponent approximately equal to 1/3, irrespective of 3 He concentration. (author)
Asymptotic equivalence of neutron diffusion and transport in time-independent reactor systems
International Nuclear Information System (INIS)
Borysiewicz, M.; Mika, J.; Spiga, G.
1982-01-01
Presented in this paper is the asymptotic analysis of the time-independent neutron transport equation in the second-order variational formulation. The small parameter introduced into the equation is an estimate of the ratio of absorption and leakage to scattering in the system considered. When the ratio tends to zero, the weak solution to the transport problem tends to the weak solution of the diffusion problem, including properly defined boundary conditions. A formula for the diffusion coefficient different from that based on averaging the transport mean-free-path is derived
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.
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)
DANTSYS: A diffusion accelerated neutral particle transport code system
International Nuclear Information System (INIS)
Alcouffe, R.E.; Baker, R.S.; Brinkley, F.W.; Marr, D.R.; O'Dell, R.D.; Walters, W.F.
1995-06-01
The DANTSYS code package includes the following transport codes: ONEDANT, TWODANT, TWODANT/GQ, TWOHEX, and THREEDANT. The DANTSYS code package is a modular computer program package designed to solve the time-independent, multigroup discrete ordinates form of the boltzmann transport equation in several different geometries. The modular construction of the package separates the input processing, the transport equation solving, and the post processing (or edit) functions into distinct code modules: the Input Module, one or more Solver Modules, and the Edit Module, respectively. The Input and Edit Modules are very general in nature and are common to all the Solver Modules. The ONEDANT Solver Module contains a one-dimensional (slab, cylinder, and sphere), time-independent transport equation solver using the standard diamond-differencing method for space/angle discretization. Also included in the package are solver Modules named TWODANT, TWODANT/GQ, THREEDANT, and TWOHEX. The TWODANT Solver Module solves the time-independent two-dimensional transport equation using the diamond-differencing method for space/angle discretization. The authors have also introduced an adaptive weighted diamond differencing (AWDD) method for the spatial and angular discretization into TWODANT as an option. The TWOHEX Solver Module solves the time-independent two-dimensional transport equation on an equilateral triangle spatial mesh. The THREEDANT Solver Module solves the time independent, three-dimensional transport equation for XYZ and RZΘ symmetries using both diamond differencing with set-to-zero fixup and the AWDD method. The TWODANT/GQ Solver Module solves the 2-D transport equation in XY and RZ symmetries using a spatial mesh of arbitrary quadrilaterals. The spatial differencing method is based upon the diamond differencing method with set-to-zero fixup with changes to accommodate the generalized spatial meshing
DANTSYS: A diffusion accelerated neutral particle transport code system
Energy Technology Data Exchange (ETDEWEB)
Alcouffe, R.E.; Baker, R.S.; Brinkley, F.W.; Marr, D.R.; O`Dell, R.D.; Walters, W.F.
1995-06-01
The DANTSYS code package includes the following transport codes: ONEDANT, TWODANT, TWODANT/GQ, TWOHEX, and THREEDANT. The DANTSYS code package is a modular computer program package designed to solve the time-independent, multigroup discrete ordinates form of the boltzmann transport equation in several different geometries. The modular construction of the package separates the input processing, the transport equation solving, and the post processing (or edit) functions into distinct code modules: the Input Module, one or more Solver Modules, and the Edit Module, respectively. The Input and Edit Modules are very general in nature and are common to all the Solver Modules. The ONEDANT Solver Module contains a one-dimensional (slab, cylinder, and sphere), time-independent transport equation solver using the standard diamond-differencing method for space/angle discretization. Also included in the package are solver Modules named TWODANT, TWODANT/GQ, THREEDANT, and TWOHEX. The TWODANT Solver Module solves the time-independent two-dimensional transport equation using the diamond-differencing method for space/angle discretization. The authors have also introduced an adaptive weighted diamond differencing (AWDD) method for the spatial and angular discretization into TWODANT as an option. The TWOHEX Solver Module solves the time-independent two-dimensional transport equation on an equilateral triangle spatial mesh. The THREEDANT Solver Module solves the time independent, three-dimensional transport equation for XYZ and RZ{Theta} symmetries using both diamond differencing with set-to-zero fixup and the AWDD method. The TWODANT/GQ Solver Module solves the 2-D transport equation in XY and RZ symmetries using a spatial mesh of arbitrary quadrilaterals. The spatial differencing method is based upon the diamond differencing method with set-to-zero fixup with changes to accommodate the generalized spatial meshing.
Transport and diffusion on crystalline surfaces under external forces
International Nuclear Information System (INIS)
Lindenberg, Katja; Lacasta, A M; Sancho, J M; Romero, A H
2005-01-01
We present a numerical study of classical particles obeying a Langevin equation and moving on a solid crystalline surface under an external force that may either be constant or modulated by periodic oscillations. We focus on the particle drift velocity and diffusion. The roles of friction and equilibrium thermal fluctuations are studied for two nonlinear dynamical regimes corresponding to low and to high but finite friction. We identify a number of resonances and antiresonances, and provide phenomenological interpretations of the observed behaviour
On the statistical and transport properties of a non-dissipative Fermi-Ulam model
Livorati, André L. P.; Dettmann, Carl P.; Caldas, Iberê L.; Leonel, Edson D.
2015-10-01
The transport and diffusion properties for the velocity of a Fermi-Ulam model were characterized using the decay rate of the survival probability. The system consists of an ensemble of non-interacting particles confined to move along and experience elastic collisions with two infinitely heavy walls. One is fixed, working as a returning mechanism of the colliding particles, while the other one moves periodically in time. The diffusion equation is solved, and the diffusion coefficient is numerically estimated by means of the averaged square velocity. Our results show remarkably good agreement of the theory and simulation for the chaotic sea below the first elliptic island in the phase space. From the decay rates of the survival probability, we obtained transport properties that can be extended to other nonlinear mappings, as well to billiard problems.
International Nuclear Information System (INIS)
Kubaschewski, O.
1983-01-01
The diffusion rate values of titanium, its compounds and alloys are summarized and tabulated. The individual chemical diffusion coefficients and self-diffusion coefficients of certain isotopes are given. Experimental methods are listed which were used for the determination of diffusion coefficients. Some values have been taken over from other studies. Also given are graphs showing the temperature dependences of diffusion and changes in the diffusion coefficient with concentration changes
Electronic structure, phase transitions and diffusive properties of elemental plutonium
Setty, Arun; Cooper, B. R.
2003-03-01
We present a SIC-LDA-LMTO based study of the electronic structure of the delta, alpha and gamma phases of plutonium, and also of the alpha and gamma phases of elemental cerium. We find excellent agreement with the experimental densities and magnetic properties [1]. Furthermore, detailed studies of the computational densities of states for delta plutonium, and comparison with the experimental photoemission spectrum [2], provide evidence for the existence of an unusual fluctuating valence state. Results regarding the vacancy formation and self-diffusion in delta plutonium will be presented. Furthermore, a study of interface diffusion between plutonium and steel (technologically relevant in the storage of spent fuel) or other technologically relevant alloys will be included. Preliminary results regarding gallium stabilization of delta plutonium, and of plutonium alloys will be presented. [1] M. Dormeval et al., private communication (2001). [2] A. J. Arko, J. J. Joyce, L. Morales, J. Wills, and J. Lashley et. al., Phys. Rev. B, 62, 1773 (2000). [3] B. R. Cooper et al, Phil. Mag. B 79, 683 (1999); B.R. Cooper, Los Alamos Science 26, 106 (2000)); B.R. Cooper, A.K. Setty and D.L.Price, to be published.
Diffusion properties of band 3 in human erythrocytes
Spector, Jeffrey O.
The plasma membrane of the human erythrocyte (RBC) is a six fold symmetric network held together at various pinning points by several multi-protein complexes. This unique architecture is what gives the RBC its remarkable material properties and any disruptions to the network can have severe consequences for the cell. Band 3 is a major transmembrane protein that plays the role of linking the fluid lipid bilayer to the cytoskeletal network. To interrogate the structural integrity of the RBC membrane we have tracked individual band 3 molecules in RBCs displaying a variety of pathologies that are all a consequence of membrane or network related defects. These diseases are spherocytosis, elliptocytosis, and pyropokilocytosis. We have also investigated the protein related diseases sickle cell, and south east asian ovalocytosis. To assess the impact that the network has on the dynamic organization of the cell we have also studied the mobility of band 3 in RBC progenitor cells. Individual band 3 molecules were imaged at 120 frames/second and their diffusion coefficients and compartment sizes recorded. The distributions of the compartment sizes combined with the information about the short and long time diffusion of band 3 has given us insight into the architecture of the membrane in normal and diseased cells. The observation that different membrane pathologies can be distinguished, even to the point of different molecular origins of the same disease, implies that the mobility of transmembrane proteins may be a useful tool for characterizing the "health" of the membrane.
Energy Technology Data Exchange (ETDEWEB)
Telfeyan, Katherine Christina [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ware, Stuart Douglas [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reimus, Paul William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Birdsell, Kay Hanson [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2017-11-06
Diffusion cell and diffusion wafer experiments were conducted to compare methods for estimating matrix diffusion coefficients in rock core samples from Pahute Mesa at the Nevada Nuclear Security Site (NNSS). A diffusion wafer method, in which a solute diffuses out of a rock matrix that is pre-saturated with water containing the solute, is presented as a simpler alternative to the traditional through-diffusion (diffusion cell) method. Both methods yielded estimates of matrix diffusion coefficients that were within the range of values previously reported for NNSS volcanic rocks. The difference between the estimates of the two methods ranged from 14 to 30%, and there was no systematic high or low bias of one method relative to the other. From a transport modeling perspective, these differences are relatively minor when one considers that other variables (e.g., fracture apertures, fracture spacings) influence matrix diffusion to a greater degree and tend to have greater uncertainty than diffusion coefficients. For the same relative random errors in concentration measurements, the diffusion cell method yields diffusion coefficient estimates that have less uncertainty than the wafer method. However, the wafer method is easier and less costly to implement and yields estimates more quickly, thus allowing a greater number of samples to be analyzed for the same cost and time. Given the relatively good agreement between the methods, and the lack of any apparent bias between the methods, the diffusion wafer method appears to offer advantages over the diffusion cell method if better statistical representation of a given set of rock samples is desired.
Telfeyan, Katherine; Ware, S. Doug; Reimus, Paul W.; Birdsell, Kay H.
2018-02-01
Diffusion cell and diffusion wafer experiments were conducted to compare methods for estimating effective matrix diffusion coefficients in rock core samples from Pahute Mesa at the Nevada Nuclear Security Site (NNSS). A diffusion wafer method, in which a solute diffuses out of a rock matrix that is pre-saturated with water containing the solute, is presented as a simpler alternative to the traditional through-diffusion (diffusion cell) method. Both methods yielded estimates of effective matrix diffusion coefficients that were within the range of values previously reported for NNSS volcanic rocks. The difference between the estimates of the two methods ranged from 14 to 30%, and there was no systematic high or low bias of one method relative to the other. From a transport modeling perspective, these differences are relatively minor when one considers that other variables (e.g., fracture apertures, fracture spacings) influence matrix diffusion to a greater degree and tend to have greater uncertainty than effective matrix diffusion coefficients. For the same relative random errors in concentration measurements, the diffusion cell method yields effective matrix diffusion coefficient estimates that have less uncertainty than the wafer method. However, the wafer method is easier and less costly to implement and yields estimates more quickly, thus allowing a greater number of samples to be analyzed for the same cost and time. Given the relatively good agreement between the methods, and the lack of any apparent bias between the methods, the diffusion wafer method appears to offer advantages over the diffusion cell method if better statistical representation of a given set of rock samples is desired.
Electron Transport Properties of Ge nanowires
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.
Weres, Jerzy; Kujawa, Sebastian; Olek, Wiesław; Czajkowski, Łukasz
2016-04-01
Knowledge of physical properties of biomaterials is important in understanding and designing agri-food and wood processing industries. In the study presented in this paper computational methods were developed and combined with experiments to enhance identification of agri-food and forest product properties, and to predict heat and water transport in such products. They were based on the finite element model of heat and water transport and supplemented with experimental data. Algorithms were proposed for image processing, geometry meshing, and inverse/direct finite element modelling. The resulting software system was composed of integrated subsystems for 3D geometry data acquisition and mesh generation, for 3D geometry modelling and visualization, and for inverse/direct problem computations for the heat and water transport processes. Auxiliary packages were developed to assess performance, accuracy and unification of data access. The software was validated by identifying selected properties and using the estimated values to predict the examined processes, and then comparing predictions to experimental data. The geometry, thermal conductivity, specific heat, coefficient of water diffusion, equilibrium water content and convective heat and water transfer coefficients in the boundary layer were analysed. The estimated values, used as an input for simulation of the examined processes, enabled reduction in the uncertainty associated with predictions.
Average properties of cosmic ray diffusion in solar wind streams
International Nuclear Information System (INIS)
Morfill, G.; Richter, A.K.; Scholer, M.
1979-01-01
Applying a superposed epoch analysis to the Mariner 5 plasma and magnetic field observations of 13 corotating high speed solar wind streams, we obtain the average azimuthal distribution of all relevant parameters of the background interplanetary medium, as well as those of superimposed Alfven waves. Using these measurements in model calculations allows us to determine the radial and azimuthal variation of the background and fluctuation parameters between 1 and 5 AU, and thus to calculate the cosmic ray diffusion coefficient kappa from the plasma and field properties. The calculation of kappa assumes that quasi-linear wave-particle interaction theory is applicable, and that the Alfven waves responsible for the scattering are propagating in the azimuthally varying solar wind according to geometrical optics. The consequences of these calculations regarding the occurrence of solar wind stream associated Forbush decreases are discussed
Ion Transport through Diffusion Layer Controlled by Charge Mosaic Membrane
Directory of Open Access Journals (Sweden)
Akira Yamauchi
2012-01-01
Full Text Available The kinetic transport behaviors in near interface of the membranes were studied using commercial anion and cation exchange membrane and charge mosaic membrane. Current-voltage curve gave the limiting current density that indicates the ceiling of conventional flux. From chronopotentiometry above the limiting current density, the transition time was estimated. The thickness of boundary layer was derived with conjunction with the conventional limiting current density and the transition time from steady state flux. On the other hand, the charge mosaic membrane was introduced in order to examine the ion transport on the membrane surface in detail. The concentration profile was discussed by the kinetic transport number with regard to the water dissociation (splitting on the membrane surface.
Diffusion related isotopic fractionation effects with one-dimensional advective–dispersive transport
Energy Technology Data Exchange (ETDEWEB)
Xu, Bruce S. [Civil Engineering Department, University of Toronto, 35 St George Street, Toronto, ON M5S 1A4 (Canada); Lollar, Barbara Sherwood [Earth Sciences Department, University of Toronto, 22 Russell Street, Toronto, ON M5S 3B1 (Canada); Passeport, Elodie [Civil Engineering Department, University of Toronto, 35 St George Street, Toronto, ON M5S 1A4 (Canada); Chemical Engineering and Applied Chemistry Department, University of Toronto, 200 College Street, Toronto, ON M5S 3E5 (Canada); Sleep, Brent E., E-mail: sleep@ecf.utoronto.ca [Civil Engineering Department, University of Toronto, 35 St George Street, Toronto, ON M5S 1A4 (Canada)
2016-04-15
Aqueous phase diffusion-related isotope fractionation (DRIF) for carbon isotopes was investigated for common groundwater contaminants in systems in which transport could be considered to be one-dimensional. This paper focuses not only on theoretically observable DRIF effects in these systems but introduces the important concept of constraining “observable” DRIF based on constraints imposed by the scale of measurements in the field, and on standard limits of detection and analytical uncertainty. Specifically, constraints for the detection of DRIF were determined in terms of the diffusive fractionation factor, the initial concentration of contaminants (C{sub 0}), the method detection limit (MDL) for isotopic analysis, the transport time, and the ratio of the longitudinal mechanical dispersion coefficient to effective molecular diffusion coefficient (D{sub mech}/D{sub eff}). The results allow a determination of field conditions under which DRIF may be an important factor in the use of stable carbon isotope measurements for evaluation of contaminant transport and transformation for one-dimensional advective–dispersive transport. This study demonstrates that for diffusion-dominated transport of BTEX, MTBE, and chlorinated ethenes, DRIF effects are only detectable for the smaller molar mass compounds such as vinyl chloride for C{sub 0}/MDL ratios of 50 or higher. Much larger C{sub 0}/MDL ratios, corresponding to higher source concentrations or lower detection limits, are necessary for DRIF to be detectable for the higher molar mass compounds. The distance over which DRIF is observable for VC is small (less than 1 m) for a relatively young diffusive plume (< 100 years), and DRIF will not easily be detected by using the conventional sampling approach with “typical” well spacing (at least several meters). With contaminant transport by advection, mechanical dispersion, and molecular diffusion this study suggests that in field sites where D{sub mech}/D{sub eff} is
Diffusion related isotopic fractionation effects with one-dimensional advective–dispersive transport
International Nuclear Information System (INIS)
Xu, Bruce S.; Lollar, Barbara Sherwood; Passeport, Elodie; Sleep, Brent E.
2016-01-01
Aqueous phase diffusion-related isotope fractionation (DRIF) for carbon isotopes was investigated for common groundwater contaminants in systems in which transport could be considered to be one-dimensional. This paper focuses not only on theoretically observable DRIF effects in these systems but introduces the important concept of constraining “observable” DRIF based on constraints imposed by the scale of measurements in the field, and on standard limits of detection and analytical uncertainty. Specifically, constraints for the detection of DRIF were determined in terms of the diffusive fractionation factor, the initial concentration of contaminants (C_0), the method detection limit (MDL) for isotopic analysis, the transport time, and the ratio of the longitudinal mechanical dispersion coefficient to effective molecular diffusion coefficient (D_m_e_c_h/D_e_f_f). The results allow a determination of field conditions under which DRIF may be an important factor in the use of stable carbon isotope measurements for evaluation of contaminant transport and transformation for one-dimensional advective–dispersive transport. This study demonstrates that for diffusion-dominated transport of BTEX, MTBE, and chlorinated ethenes, DRIF effects are only detectable for the smaller molar mass compounds such as vinyl chloride for C_0/MDL ratios of 50 or higher. Much larger C_0/MDL ratios, corresponding to higher source concentrations or lower detection limits, are necessary for DRIF to be detectable for the higher molar mass compounds. The distance over which DRIF is observable for VC is small (less than 1 m) for a relatively young diffusive plume (< 100 years), and DRIF will not easily be detected by using the conventional sampling approach with “typical” well spacing (at least several meters). With contaminant transport by advection, mechanical dispersion, and molecular diffusion this study suggests that in field sites where D_m_e_c_h/D_e_f_f is larger than 10, DRIF
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
Second order time evolution of the multigroup diffusion and P1 equations for radiation transport
International Nuclear Information System (INIS)
Olson, Gordon L.
2011-01-01
Highlights: → An existing multigroup transport algorithm is extended to be second-order in time. → A new algorithm is presented that does not require a grey acceleration solution. → The two algorithms are tested with 2D, multi-material problems. → The two algorithms have comparable computational requirements. - Abstract: An existing solution method for solving the multigroup radiation equations, linear multifrequency-grey acceleration, is here extended to be second order in time. This method works for simple diffusion and for flux-limited diffusion, with or without material conduction. A new method is developed that does not require the solution of an averaged grey transport equation. It is effective solving both the diffusion and P 1 forms of the transport equation. Two dimensional, multi-material test problems are used to compare the solution methods.
International Nuclear Information System (INIS)
Colombant, Denis; Manheimer, Wallace
2010-01-01
Flux limitation and preheat are important processes in electron transport occurring in laser produced plasmas. The proper calculation of both of these has been a subject receiving much attention over the entire lifetime of the laser fusion project. Where nonlocal transport (instead of simple single flux limit) has been modeled, it has always been with what we denote the equivalent diffusion solution, namely treating the transport as only a diffusion process. We introduce here a new approach called the nonlocal source solution and show it is numerically viable for laser produced plasmas. It turns out that the equivalent diffusion solution generally underestimates preheat. Furthermore, the advance of the temperature front, and especially the preheat, can be held up by artificial 'thermal barriers'. The nonlocal source method of solution, on the other hand more accurately describes preheat and can stably calculate the solution for the temperature even if the heat flux is up the gradient.
TASK 7 DEMONSTRATION OF THAMES FOR MICROSTRUCTURE AND TRANSPORT PROPERTIES
Energy Technology Data Exchange (ETDEWEB)
Langton, C.; Bullard, J.; Stutzman, P.; Snyder, K.; Garboczi, E.
2010-03-29
The goal of the Cementitious Barriers Partnership (CBP) is to develop a reasonable and realible set of tools to reduce the uncertainty in predicting the structural, hydraulic and chemical performance of cement barriers used in nuclear applications that are exposed to dynamic environmental conditions over extended time frames. One of these tools, the responsibility of NIST, is THAMES (Thermodynamic Hydration and Microstructure Evolution Simulator), which is being developed to describe cementitious binder microstructures and calculate important engineering properties during hydration and degradation. THAMES is designed to be a 'micro-probe', used to evaluate changes in microstructure and properties occurring over time because of hydration or degradation reactions in a volume of about 0.001 mm{sup 3}. It will be used to map out microstructural and property changes across reaction fronts, for example, with spatial resolution adequate to be input into other models (e.g., STADIUM{reg_sign}, LeachSX{trademark}) in the integrated CBP package. THAMES leverages thermodynamic predictions of equilibrium phase assemblages in aqueous geochemical systems to estimate 3-D virtual microstructures of a cementitious binder at different times during the hydration process or potentially during degradation phenomena. These virtual microstructures can then be used to calculate important engineering properties of a concrete made from that binder at prescribed times. In this way, the THAMES model provides a way to calculate the time evolution of important material properties such as elastic stiffness, compressive strength, diffusivity, and permeability. Without this model, there would be no way to update microstructure and properties for the barrier materials considered as they are exposed to the environment, thus greatly increasing the uncertainty of long-term transport predictions. This Task 7 report demonstrates the current capabilities of THAMES. At the start of the CBP
Diffusion and infrared properties of molecules in ice mantles
International Nuclear Information System (INIS)
Schmitt, B.; Grim, R.; Greenberg, J.M.
1989-01-01
Within dense molecular clouds the formation of frozen icy mantles on interstellar dust grains is thought to be the result of various growth conditions. The molecules, which make up the ice mantles are probably completely mixed. To study the physical properties of such ice mixtures the experiments were performed on the evaporation processes and on the spectroscopic properties of CO, CO2, and CH4 in water rich ices. The decrease in concentration of volatile molecules in ice samples deposited at 10 K and subsequently heated is found to occur essentially in two steps. The first one, corresponding to an evaporation of part of the volatile molecules, starts at about 25 K for CO, 32 K for CH4, and 70 K for CO2. During the crystallization of H2O ice at temperatures greater than 120 K a second evaporation occurs leading to the complete disappearance of the volatile molecules in the solid phase. The main astrophysical implications of the diffusion and spectroscopic behaviors are presented. The possible effects of a heating source on the fraction of volatile molecules, such as CO trapped in grain mantles, are discussed
Modification of gas diffusion layers properties to improve water management
Directory of Open Access Journals (Sweden)
Martin Tomas
2017-09-01
Full Text Available Abstract In this paper we report an approach to improve water management of commercial GDLs by introducing hydrophobicity patterns. Specifically, line and grid patterns have been created in the MPL side by laser radiation. For an in-depth investigation of these modified GDLs the current density distribution was monitored during fuel cell operation. Additionally, the physical properties of these materials were investigated by a number of ex situ methods such as Fourier transform infrared microscopy, electrochemical impedance spectroscopy and water vapor sorption. Furthermore, a comparison of the physical properties of the patterned GDLs with chemically modified GDLs (treated in H2SO4 and H2O2 is provided. Our results show a clearly improved homogeneity of current density distribution of the patterned GDLs compared to untreated GDLs. This observation is likely due to a reduced local hydrophobicity which facilitates water diffusion along the flow field of the fuel cell. However, performance of the fuel cell was not affected by the MPL irradiation. Graphical Abstract
Dust particle diffusion in ion beam transport region
Energy Technology Data Exchange (ETDEWEB)
Miyamoto, N.; Okajima, Y.; Romero, C. F.; Kuwata, Y.; Kasuya, T.; Wada, M., E-mail: mwada@mail.doshisha.ac.jp [Graduate school of Science and Engineering, Doshisha University, Kyotanabe, Kyoto 610-0321 (Japan)
2016-02-15
Dust particles of μm size produced by a monoplasmatron ion source are observed by a laser light scattering. The scattered light signal from an incident laser at 532 nm wavelength indicates when and where a particle passes through the ion beam transport region. As the result, dusts with the size more than 10 μm are found to be distributed in the center of the ion beam, while dusts with the size less than 10 μm size are distributed along the edge of the ion beam. Floating potential and electron temperature at beam transport region are measured by an electrostatic probe. This observation can be explained by a charge up model of the dust in the plasma boundary region.
Diffusive flux in a model of stochastically gated oxygen transport in insect respiration
Energy Technology Data Exchange (ETDEWEB)
Berezhkovskii, Alexander M. [Mathematical and Statistical Computing Laboratory, Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, Maryland 20892 (United States); Shvartsman, Stanislav Y. [Department of Chemical and Biological Engineering and Lewis-Sigler Institute for Integrative Genomics, Princeton University, Princeton, New Jersey 08544 (United States)
2016-05-28
Oxygen delivery to insect tissues is controlled by transport through a branched tubular network that is connected to the atmosphere by valve-like gates, known as spiracles. In certain physiological regimes, the spiracles appear to be randomly switching between open and closed states. Quantitative analysis of this regime leads a reaction-diffusion problem with stochastically switching boundary condition. We derive an expression for the diffusive flux at long times in this problem. Our approach starts with the derivation of the passage probability for a single particle that diffuses between a stochastically gated boundary, which models the opening and closing spiracle, and the perfectly absorbing boundary, which models oxygen absorption by the tissue. This passage probability is then used to derive an expression giving the diffusive flux as a function of the geometric parameters of the tube and characteristic time scales of diffusion and gate dynamics.
Electronic transport properties of (fluorinated) metal phthalocyanine
Fadlallah, M M; Eckern, U; Romero, A H; Schwingenschlö gl, Udo
2015-01-01
The magnetic and transport properties of the metal phthalocyanine (MPc) and F16MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S–Au wires are investigated by density functional theory within the local density approximation, including local electronic correlations on the central metal atom. The magnetic moments are found to be considerably modified under fluorination. In addition, they do not depend exclusively on the configuration of the outer electronic shell of the central metal atom (as in isolated MPc and F16MPc) but also on the interaction with the leads. Good agreement between the calculated conductance and experimental results is obtained. For M = Ag, a high spin filter efficiency and conductance is observed, giving rise to a potentially high sensitivity for chemical sensor applications.
Electronic transport properties of (fluorinated) metal phthalocyanine
Fadlallah, M M
2015-12-21
The magnetic and transport properties of the metal phthalocyanine (MPc) and F16MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S–Au wires are investigated by density functional theory within the local density approximation, including local electronic correlations on the central metal atom. The magnetic moments are found to be considerably modified under fluorination. In addition, they do not depend exclusively on the configuration of the outer electronic shell of the central metal atom (as in isolated MPc and F16MPc) but also on the interaction with the leads. Good agreement between the calculated conductance and experimental results is obtained. For M = Ag, a high spin filter efficiency and conductance is observed, giving rise to a potentially high sensitivity for chemical sensor applications.
International Nuclear Information System (INIS)
Goel, Gaurav; Krekelberg, William P; Pond, Mark J; Truskett, Thomas M; Mittal, Jeetain; Shen, Vincent K; Errington, Jeffrey R
2009-01-01
Although classical density functional theory provides reliable predictions for the static properties of simple equilibrium fluids under confinement, a theory of comparative accuracy for the transport coefficients has yet to emerge. Nonetheless, there is evidence that knowledge of how confinement modifies static behavior can aid in forecasting dynamics. Specifically, recent molecular simulation studies have shown that the relationship between excess entropy and self-diffusivity of a bulk equilibrium fluid changes only modestly when the fluid is isothermally confined, indicating that knowledge of the former might allow semi-quantitative predictions of the latter. Do other static measures, such as those that characterize free or available volume, also strongly correlate with single-particle dynamics of confined fluids? Here, we investigate this question for both the single-component hard-sphere fluid and hard-sphere mixtures. Specifically, we use molecular simulations and fundamental measure theory to study these systems at approximately 10 3 equilibrium state points. We examine three different confining geometries (slit pore, square channel, and cylindrical pore) and the effects of particle packing fraction and particle–boundary interactions. Although average density fails to predict some key qualitative trends for the self-diffusivity of confined fluids, we provide strong empirical evidence that a new generalized measure of available volume for inhomogeneous fluids correlates excellently with self-diffusivity across a wide parameter space in these systems, approximately independently of the degree of confinement. An important consequence, which we demonstrate here, is that density functional theory predictions of this static property can be used together with knowledge of bulk fluid behavior to semi-quantitatively estimate the self-diffusion coefficient of confined fluids under equilibrium conditions
International Nuclear Information System (INIS)
Massimiliano, Rosa; Azmy, Y.Y.; Morel, J.E.
2005-01-01
The general expressions for the matrix elements of the discrete Sn-equivalent integral transport operator have been derived in slab geometry. Their asymptotic behavior has been investigated both for a homogeneous slab and for a heterogeneous slab characterized by a periodic material discontinuity wherein each optically thick cell is surrounded by two optically thin cells in a repeating pattern. In the case of a homogeneous slab, the asymptotic analysis conducted in a diffusive limit obtained as the thick limit of computational cell size for a highly scattering medium, has shown that the discretized integral transport operator is approximated by a sparse matrix characterized by a tri-diagonal diffusion-like coupling stencil. Also, the tri-diagonal matrix structure, characteristic of the diffusion coupling stencil, is approached at a fast exponential rate. In the case of periodically heterogeneous slab configurations, the asymptotic behavior investigated is that in which the cells' optical thicknesses are pushed apart, i.e. the thick is made thicker while the thin is made thinner at a prescribed rate. It has been shown that in this limit the discretized integral transport operator is approximated by a penta-diagonal structure. Notwithstanding, the discrete operator is amenable to algebraic transformations leading to a matrix representation still asymptotically approaching a tri-diagonal structure at a fast exponential rate. The existence of a low order tri-diagonal approximation to the full discrete integral transport operator in the case of a periodically heterogeneous slab might provide a basic understanding of the superior convergence properties of diffusion-based acceleration schemes observed in slab geometry, even in the presence of sharp material discontinuities. The obtained results also suggest that a sparse approximation to the S n -equivalent integral transport operator might itself be used as the low-order operator in an acceleration scheme for the
Advective-diffusive transport of D2O in unsaturated media under evaporation condition
International Nuclear Information System (INIS)
Koarashi, Jun; Atarashi-Andoh, Mariko; Amano, Hikaru; Yamazawa, Hiromi; Iida, Takao
2003-01-01
Advective-diffusive transport of HTO in unsaturated media was investigated empirically using deuterated water (D 2 O) and columns filled with glass beads. The tortuosity factor was evaluated by numerical model calculations corresponding to first experiment for diffusion under no-evaporation condition. Temporal variations in depth profiles of D 2 O concentrations in the columns were observed by second experiment, which considers the transferring and spreading of D 2 O by pore-water flow caused by evaporation. Measurements and model calculations indicated that diffusion was about two times more efficient than dispersion for D 2 O spreading process under this evaporation condition. (author)
Application of diffusion theory to the transport of neutral particles in fusion plasmas
International Nuclear Information System (INIS)
Hasan, M.Z.
1985-01-01
It is shown that the widely held view that diffusion theory can not provide good accuracy for the transport of neutral particles in fusion plasmas is misplaced. In fact, it is shown that multigroup diffusion theory gives quite good accuracy as compared to the transport theory. The reasons for this are elaborated and some of the physical and theoretical reasons which make the multigroup diffusion theory provide good accuracy are explained. Energy dependence must be taken into consideration to obtain a realistic neutral atom distribution in fusion plasmas. There are two reasons for this; presence of either is enough to necessitate an energy dependent treatment. First, the plasma temperature varies spatially, and second, the ratio of charge-exchange to total plasma-neutral interaction cross section (c) is not close to one. A computer code to solve the one-dimensional multigroup diffusion theory in general geometry (slab, cylindrical and spherical) has been written for use on Cray computers, and its results are compared with those from the one-dimensional transport code ANISN to support the above finding. A fast, compact and versatile two-dimensional finite element multigroup diffusion theory code, FINAT, in X-Y and R-Z cylindrical/toroidal geometries has been written for use on CRAY computers. This code has been compared with the two dimensional transport code DOT-4.3. The accuracy is very good, and FENAT runs much faster compared even to DOT-4.3 which is a finite difference code
International Nuclear Information System (INIS)
Grandjean, A.
2006-07-01
The author gives an overview of his research activity during which she worked on three main subjects. The first one dealt with the investigation of transport mechanisms in metal alloys (experimental investigation of diffusion in amorphous alloys, oxidation mechanism of Zircaloy-4 under temperature and in water or in dry oxygen). The second one dealt with the synthesis and properties of specific confinement matrices (effect of chemical composition on sintering of a carbonate powder, effect of microstructure of high Mo and P content vitro-crystals on lixiviation properties, incorporation of fluorine compounds in the case of borosilicate systems). The third one dealt with the transport in borosilicate glasses and melts (ionic transport, properties, and electrical transport glass-RuO 2 particles composites)
Electronic and transport properties of kinked graphene
DEFF Research Database (Denmark)
Rasmussen, Jesper Toft; Gunst, Tue; Bøggild, Peter
2013-01-01
Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction for the ads......Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction...... for the adsorption of atomic hydrogen at linear bends in graphene. We find a significant barrier lowering (≈15%) for realistic radii of curvature (≈20 Å) and that adsorption along the linear bend leads to a stable linear kink. We compute the electronic transport properties of individual and multiple kink lines......, and demonstrate how these act as efficient barriers for electron transport. In particular, two parallel kink lines form a graphene pseudo-nanoribbon structure with a semimetallic/semiconducting electronic structure closely related to the corresponding isolated ribbons; the ribbon band gap translates...
Relation between physicomechanical properties and diffusion phenomena in composite materials
International Nuclear Information System (INIS)
Nicaise, E.
1984-06-01
One of the procedures for storing low and medium activity nuclear waste consists of coating the contaminated material in a thermosetting resin. The drums thus constitued are stored in concreted underground trenches, then covered with cement, bitumen or clayey soil. Although the risk of water circulation is low, this element represents on the one hand the major cause of natural deterioration of the polymer, and on the other hand the most likely vehicle for conveying the radioactive ions confined in the drums. It is for this reason that the study of the behaviour of polyester or epoxide-based macromolecular materials with regard to water constitutes the first stage of this work. The second part of the thesis is directed towards the study of compound materials. Indeed, the charges are represented in the first case by the nuclear waste itself; in the second case, they are introduced into the polymer beforehand, on the one hand to reduce costs, and on the other hand to give the mixture suitable mechanical and rheological properties. In this study, three types of mineral charge are added in an epoxide resin: glass balls surface-treated or not, and sand. Various techniques are implemented in order to assess and characterize the interfacial adhesion, in the different systems. The strongest polymer-charge bonds are sought in order to resist natural deterioration. Finally, the object of the confinement process, is to avoid dispersion of low and medium activity substances ( 137 Cs, 90 Sr, 60 Co, 106 Ru..) in the environment. The final stage of this work therefore consists in assessing the barrier qualities of pure or charged polymers with regard to radioactive ion diffusion. We will show in particular that the use of fine resin membranes enables the diffusion coefficient of the 137 Cs to be calculated [fr
Climatology of transport and diffusion conditions along the United States Atlantic and Gulf coasts
International Nuclear Information System (INIS)
Raynor, G.S.; Hayes, J.V.
1981-01-01
A study of the atmospheric transport and diffusion climatology of the United States east and Gulf coasts was conducted to aid in planning and site selection for potentially polluting installations. This paper presents selected results from an extensive statistical study. Regular hourly observational data were obtained from 30 coastal stations from Maine to Texas and analyzed in terms of conditions important to emission transport and diffusion. The 30 stations included four pairs with one of each pair at a greater distance from the coast than the other but near the same latitude
International Nuclear Information System (INIS)
Helander, P.; Hazeltine, R.D.; Catto, P.J.
1996-01-01
The orderings in the kinetic equations commonly used to study the plasma core of a tokamak do not allow a balance between parallel ion streaming and radial diffusion, and are, therefore, inappropriate in the plasma edge. Different orderings are required in the edge region where radial transport across the steep gradients associated with the scrape-off layer is large enough to balance the rapid parallel flow caused by conditions close to collecting surfaces (such as the Bohm sheath condition). In the present work, we derive and solve novel kinetic equations, allowing for such a balance, and construct distinctive transport laws for impure, collisional, edge plasmas in which the perpendicular transport is (i) due to Coulomb collisions of ions with heavy impurities, or (ii) governed by anomalous diffusion driven by electrostatic turbulence. In both the collisional and anomalous radial transport cases, we find that one single diffusion coefficient determines the radial transport of particles, momentum and heat. The parallel transport laws and parallel thermal force in the scrape-off layer assume an unconventional form, in which the relative ion-impurity flow is driven by a combination of the conventional parallel gradients, and new (i) collisional or (ii) anomalous terms involving products of radial derivatives of the temperature and density with the radial shear of the parallel velocity. Thus, in the presence of anomalous radial diffusion, the parallel ion transport cannot be entirely classical, as usually assumed in numerical edge computations. The underlying physical reason is the appearance of a novel type of parallel thermal force resulting from the combined action of anomalous diffusion and radial temperature and velocity gradients. In highly sheared flows the new terms can modify impurity penetration into the core plasma
Structure and transport properties of nanostructured materials.
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.
Energy Technology Data Exchange (ETDEWEB)
Melkior, Th
2000-07-01
The subject of this work deals with the project of underground disposal of radioactive wastes in deep geological formations. It concerns the study of the migration of radionuclides through clays. In these materials, the main transport mechanism is assumed to be diffusion under natural conditions. Therefore, some diffusion experiments are conducted. With interacting solutes which present a strong affinity for the material, the duration of these tests will be too long, for the range of concentrations of interest. An alternative is to determine on one hand the geochemical retention properties using batch tests and crushed rock samples and, on the other hand, to deduce the transport parameters from diffusion tests realised with a non-interacting tracer, tritiated water. These data are then used to simulate the migration of the reactive elements with a numerical code which can deal with coupled chemistry-diffusion equations. The validity of this approach is tested by comparing the numerical simulations with the results of diffusion experiments of cations through a clay. The subject is investigated in the case of the diffusion of cesium, lithium and sodium through a compacted sodium bentonite. The diffusion tests are realised with the through-diffusion method. The comparison between the experimental results and the simulations shows that the latter tends to under estimate the propagation of the considered species. The differences could be attributed to surface diffusion and to a decrease of the accessibility to the sites of fixation of the bentonite, from the conditions of clay suspensions in batch tests to the situation of compacted samples. The influence of the experimental apparatus used during the diffusion tests on the results of the measurement has also been tested. It showed that these apparatus have to be taken into consideration when the experimental data are interpreted. A specific model has been therefore developed with the numerical code CASTEM 2000. (author)
Diffusion and sorption properties of radionuclides in compacted bentonite
Energy Technology Data Exchange (ETDEWEB)
Yu Ji-Wei; Neretnieks, I. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Chemical Engineering and Technology
1997-07-01
In this report, recent studies on sorption and diffusion of radionuclides in compacted bentonite have been reviewed. The sorption distribution coefficient and diffusion coefficient data obtained from experiments in the literature have been compiled. Based on these experimental data and the report SKB-TR--91-16 (Brandberg and Skagius, 1991), this report proposes a set of sorption distribution coefficient and diffusion coefficient values for modelling purpose for safety analysis of nuclear waste repositories. The variability and uncertainty of the diffusivity data span somewhat more than an order or magnitude up and down. Most of the nuclides have an effective diffusivity in around 10{sup -10} m{sup 2}/s. Ion exclusion effects are observed for C, Cl and for Tc in oxidizing waters. Effective diffusivities are nearly tow orders of magnitude lower for these elements and of the order of 10{sup -12} m{sup 2}/s. Surface diffusion effects are found for Cs, Ni, Pa, Pb, Ra, Sn, Sr and Zr. Effective diffusivities for these elements are of the order of 10{sup -8} m{sup 2}/s. The surface diffusion effect should decrease in saline waters which is seen for Cs and Sr where there are data available. It is also deemed that Ra will have this effect because of its similarity with Sr. The other nuclides should also show this decrease but no data is available. Sorption and diffusion mechanisms in compacted bentonite are discussed in the report. In highly compacted bentonite, sorption and hence its distribution coefficient is not well defined, and a pore diffusion coefficient or a surface diffusion coefficient is not well defined either. Therefore, an apparent diffusion coefficient and a total concentration gradient should be more relevant in describing the diffusion process in compacted bentonite. 99 refs.
Spin transport in diffusive ferromagnetic Josephson junctions with noncollinear magnetization
Energy Technology Data Exchange (ETDEWEB)
Shomali, Zahra; Zareyan, Malek [Institute for Advanced Studies in Basic Sciences (IASBS), Zanjan 45195 (Iran, Islamic Republic of); Belzig, Wolfgang [Fachbereich Physik, Universitaet Konstanz, D-78457 Konstanz (Germany)
2011-07-01
We numerically study the Josephson coupling of two s-wave superconductors which are connected through a diffusive contact made of two ferromagnetic domains with the magnetization vectors misoriented by an angle {theta}. The assumed superconducting leads are conventional s-wave type with the phase difference of {phi}. Using the quantum circuit theory, we find that in addition to the charge supercurrent, which shows a 0-{pi} transition relative to the angle {theta}, the spin supercurrent with a spin polarization normal to the magnetization vectors will flow through the contact. Our results present a 0-{pi} quantum phase transition as a function of the wave vector, Q{xi}. Finally, we investigate the spin supercurrent in an extended magnetic texture with multiple domain walls. We find the behavior of spin supercurrent is highly sensitive to the barrier. When asymmetric barriers don't change the value of the spin supercurrent, the symmetric ones decrease the value of it notably. We also investigate some other interesting effects for these systems. In addition, we present when Q{xi} is the even multiple of {pi}, the spin-current which is penetrated into the nonhomogeneous ferromagnets is nearly zero, how ever the odd ones show the large amount of penetrated spin supercurrent.
Measuring groundwater transport through lake sediments by advection and diffusion
International Nuclear Information System (INIS)
Cornett, R.J.; Risto, B.A.; Lee, D.R.
1989-08-01
A method for estimating low rates of groundwater inflow and outflow through the bottom sediments of surface waters was developed and tested. A one-dimensional advection-diffusion model was fitted to measured pore water profiles of two nonreactive solutes, tritiated water and chloride, and the advection rate was calculated by a nonlinear least squares technique. Using 3 H profiles measured 0-0.5 m below the sediment-water interface, rates of groundwater advection into a lake through interbedded sands and gyttja were estimated to be about 1.0 m/year. In midlake locations underlain by soft organic gyttja, rates of advection were much lower (<0.1 m/year). Knowledge of the rate and direction of groundwater flow substantially altered the interpretation of pore water profiles within the sediments and the fluxes of solutes. This technique can be used to estimate flow rates less than 2 m/annum with minimal disturbance, without enclosing the sediments in a container, in a diversity of systems. (author)
International Nuclear Information System (INIS)
Lipperheide, R.; Wille, U.
2006-01-01
A theory of spin-polarized electron transport in ferromagnet-semiconductor heterostructures, based on a unified semiclassical description of ballistic and diffusive transport in semiconductors, is outlined. The aim is to provide a framework for studying the interplay of spin relaxation and transport mechanism in spintronic devices. Transport inside the (nondegenerate) semiconductor is described in terms of a thermoballistic current, in which electrons move ballistically in the electric field arising from internal and external electrostatic potentials, and are thermalized at randomly distributed equilibration points. Spin relaxation is allowed to take place during the ballistic motion. For arbitrary potential profile and arbitrary values of the momentum and spin relaxation lengths, an integral equation for a spin transport function determining the spin polarization in the semiconductor is derived. For field-driven transport in a homogeneous semiconductor, the integral equation can be converted into a second-order differential equation that generalizes the spin drift-diffusion equation. The spin polarization in ferromagnet-semiconductor structures is obtained by matching the spin-resolved chemical potentials at the interfaces, with allowance for spin-selective interface resistances. Illustrative examples are considered
Directory of Open Access Journals (Sweden)
María I. Vázquez
2015-12-01
Full Text Available Synthesis of a nanoporous alumina membrane (NPAM by the two-step anodization method and its morphological and chemical surface characterization by analyzing Scanning Electron Microscopy (SEM micrographs and X-Ray Photoelectron Spectroscopy (XPS spectra is reported. Influence of electrical and diffusive effects on the NaCl transport across the membrane nanopores is determined from salt diffusion measurements performed with a wide range of NaCl concentrations, which allows the estimation of characteristic electrochemical membrane parameters such as the NaCl diffusion coefficient and the concentration of fixed charges in the membrane, by using an appropriated model and the membrane geometrical parameters (porosity and pore length. These results indicate a reduction of ~70% in the value of the NaCl diffusion coefficient through the membrane pores with respect to solution. The transport number of ions in the membrane pores (Na+ and Cl−, respectively were determined from concentration potential measurements, and the effect of concentration-polarization at the membrane surfaces was also considered by comparing concentration potential values obtained with stirred solutions (550 rpm and without stirring. From both kinds of results, a value higher than 0.05 M NaCl for the feed solution seems to be necessary to neglect the contribution of electrical interactions in the diffusive transport.
Asymptotic solutions of numerical transport problems in optically thick, diffusive regimes
International Nuclear Information System (INIS)
Larsen, E.W.; Morel, J.E.; Miller, W.F. Jr.
1987-01-01
We present an asymptotic analysis of spatial differencing schemes for the discrete-ordinates equations, for diffusive media with spatial cells that are not optically thin. Our theoretical tool is an asymptotic expansion that has previously been used to describe the transform from analytic transport to analytic diffusion theory for such media. To introduce this expansion and its physical rationale, we first describe it for the analytic discrete-ordinates equations. Then, we apply the expansion to the spatially discretized discrete-ordinates equations, with the spatial mesh scaled in either of two physically relevant ways such that the optical thickness of the spatial cells is not small. If the result of either expansion is a legitimate diffusion description for either the cell-averaged or cell-edge fluxes, then we say that the approximate flux has the appropriate diffusion limit; otherwise, we say it does not. We consider several transport differencing schemes that are applicable in neutron transport and thermal radiation applications. We also include numerical results which demonstrate the validity of our theory and show that differencing schemes that do have a particular diffusion limit are substantially more accurate, in the regime described by the limit, than those that do not. copyright 1987 Academic Press, Inc
Allen, Rebecca; Sun, Shuyu
2017-01-01
We compute effective properties (i.e., permeability, hydraulic tortuosity, and diffusive tortuosity) of three different digital porous media samples, including in-line array of uniform shapes, staggered-array of squares, and randomly distributed squares. The permeability and hydraulic tortuosity are computed by solving a set of rescaled Stokes equations obtained by homogenization, and the diffusive tortuosity is computed by solving a homogenization problem given for the effective diffusion coefficient that is inversely related to diffusive tortuosity. We find that hydraulic and diffusive tortuosity can be quantitatively different by up to a factor of ten in the same pore geometry, which indicates that these tortuosity terms cannot be used interchangeably. We also find that when a pore geometry is characterized by an anisotropic permeability, the diffusive tortuosity (and correspondingly the effective diffusion coefficient) can also be anisotropic. This finding has important implications for reservoir-scale modeling of flow and transport, as it is more realistic to account for the anisotropy of both the permeability and the effective diffusion coefficient.
Allen, Rebecca
2017-02-13
We compute effective properties (i.e., permeability, hydraulic tortuosity, and diffusive tortuosity) of three different digital porous media samples, including in-line array of uniform shapes, staggered-array of squares, and randomly distributed squares. The permeability and hydraulic tortuosity are computed by solving a set of rescaled Stokes equations obtained by homogenization, and the diffusive tortuosity is computed by solving a homogenization problem given for the effective diffusion coefficient that is inversely related to diffusive tortuosity. We find that hydraulic and diffusive tortuosity can be quantitatively different by up to a factor of ten in the same pore geometry, which indicates that these tortuosity terms cannot be used interchangeably. We also find that when a pore geometry is characterized by an anisotropic permeability, the diffusive tortuosity (and correspondingly the effective diffusion coefficient) can also be anisotropic. This finding has important implications for reservoir-scale modeling of flow and transport, as it is more realistic to account for the anisotropy of both the permeability and the effective diffusion coefficient.
Ubiquity of non-diffusive momentum transport in JET H-modes
Weisen, H.; Camenen, Y.; Salmi, A.; Versloot, T. W.; de Vries, P. C.; Maslov, M.; Tala, T.; Beurskens, M.; Giroud, C.; JET-EFDA Contributors,
2012-01-01
A broad survey of the experimental database of neutral beam heated baseline H-modes and hybrid scenarios in the JET tokamak has established the ubiquity of non-diffusive momentum transport mechanisms in rotating plasmas. As a result of their presence, the normalized angular frequency gradient R
Hydrodynamic theory of convective transport across a dynamically stabilized diffuse boundary layer
International Nuclear Information System (INIS)
Gerhauser, H.
1983-09-01
The diffuse boundary layer between miscible liquids is subject to Rayleigh-Taylor instabilities if the heavy fluid is supported by the light one. The resulting rapid interchange of the liquids can be suppressed by enforcing vertical oscillations on the whole system. This dynamic stabilization is incomplete and produces some peculiar novel transport phenomena such as decay off the density profile into several steps, periodic peeling of density sheets of the boundary layer and the appearance of steady vortex flow. The theory presented in this paper identifies the basic mechanism as formation of convective cells leading to enhanced diffusion, and explains previous experimental results with water and ZnJ 2 -solutions. A nonlinear treatment of the stationary convective flow problem gives the saturation amplitude of the ground mode and provides an upper bound for the maximum convective transport. The hydrodynamic model can be used for visualizing similar transport processes in the plasma of toroidal confinement devices such as sawtooth oscillations in soft disruptions of tokamak discharges and anomalous diffusion by excitation of convective cells. The latter process is investigated here in some detail, leading to the result that the maximum possible transport is of the order of Bohm diffusion. (orig.)
Binning, P. J.; POSTMA, D; Russell, T. F.; Wesselingh, J. A.; Boulin, P. F.
2007-01-01
[1] Pyrite oxidation in unsaturated mine waste rock dumps and soils is limited by the supply of oxygen from the atmosphere. In models, oxygen transport through the subsurface is often assumed to be driven by diffusion. However, oxygen comprises 23.2% by mass of dry air, and when oxygen is consumed
M. Wachsmuth (Malte); T.A. Knoch (Tobias); C. Münkel (Christian); J. Langowski (Jörg)
2001-01-01
markdownabstractDespite the succesful linear sequencing of the human genome the three-dimensional arrangement of chromatin, functional, and structural components is still largely unknown. Molecular transport and diffusion are important for processes like gene regulation, replication, or repair and
Ommen, van H.C.
1988-01-01
A simple theory to predict groundwater quality upon contamination from diffuse sources was developed. It appeared that an analogy exists between the predominant transport phenomena and the reaction of a reservoir, in which perfect mixing takes place. Such an analogy enables a simple
Yokoyama, T.; Tanaka, Y.; Golubov, Alexandre Avraamovitch; Inoue, J.; Asano, Y.
2005-01-01
Charge transport in the diffusive normal metal (DN)/insulator/s- and d-wave superconductor junctions is studied in the presence of magnetic impurities in DN in the framework of the quasiclassical Usadel equations with the generalized boundary conditions. The cases of s- and d-wave superconducting
Theory of thermal and charge transport in diffusive normal metal / superconductor junctions
Yokoyama, T.; Tanaka, Y.; Golubov, Alexandre Avraamovitch; Asano, Y.
2005-01-01
Thermal and charge transport in diffusive normal metal (DN)/insulator/s-, d-, and p-wave superconductor junctions are studied based on the Usadel equation with the Nazarov's generalized boundary condition. We derive a general expression of the thermal conductance in unconventional superconducting
Diffusive transport and evaporation to the atmosphere from a NAPL source in the vadose zone
DEFF Research Database (Denmark)
Holtegaard, L.E.; Bjerre, T.; Christophersen, Mette
2002-01-01
To evaluate the risks concerned with the presence of volatile organic compounds in the unsaturated zone it is important to know how the compounds are transported in the soil. In this project the effective diffusion coefficient of 3-methylpentane, hexane, methyl-cyclopentane, iso-octane and methyl...
Diffusion as a Ruler: Modeling Kinesin Diffusion as a Length Sensor for Intraflagellar Transport.
Hendel, Nathan L; Thomson, Matthew; Marshall, Wallace F
2018-02-06
An important question in cell biology is whether cells are able to measure size, either whole cell size or organelle size. Perhaps cells have an internal chemical representation of size that can be used to precisely regulate growth, or perhaps size is just an accident that emerges due to constraint of nutrients. The eukaryotic flagellum is an ideal model for studying size sensing and control because its linear geometry makes it essentially one-dimensional, greatly simplifying mathematical modeling. The assembly of flagella is regulated by intraflagellar transport (IFT), in which kinesin motors carry cargo adaptors for flagellar proteins along the flagellum and then deposit them at the tip, lengthening the flagellum. The rate at which IFT motors are recruited to begin transport into the flagellum is anticorrelated with the flagellar length, implying some kind of communication between the base and the tip and possibly indicating that cells contain some mechanism for measuring flagellar length. Although it is possible to imagine many complex scenarios in which additional signaling molecules sense length and carry feedback signals to the cell body to control IFT, might the already-known components of the IFT system be sufficient to allow length dependence of IFT? Here we investigate a model in which the anterograde kinesin motors unbind after cargo delivery, diffuse back to the base, and are subsequently reused to power entry of new IFT trains into the flagellum. By mathematically modeling and simulating such a system, we are able to show that the diffusion time of the motors can in principle be sufficient to serve as a proxy for length measurement. We found that the diffusion model can not only achieve a stable steady-state length without the addition of any other signaling molecules or pathways, but also is able to produce the anticorrelation between length and IFT recruitment rate that has been observed in quantitative imaging studies. Copyright © 2017 Biophysical
International Nuclear Information System (INIS)
Densmore, Jeffery D.; Thompson, Kelly G.; Urbatsch, Todd J.
2012-01-01
Discrete Diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Implicit Monte Carlo radiative-transfer simulations in optically thick media. In DDMC, particles take discrete steps between spatial cells according to a discretized diffusion equation. Each discrete step replaces many smaller Monte Carlo steps, thus improving the efficiency of the simulation. In this paper, we present an extension of DDMC for frequency-dependent radiative transfer. We base our new DDMC method on a frequency-integrated diffusion equation for frequencies below a specified threshold, as optical thickness is typically a decreasing function of frequency. Above this threshold we employ standard Monte Carlo, which results in a hybrid transport-diffusion scheme. With a set of frequency-dependent test problems, we confirm the accuracy and increased efficiency of our new DDMC method.
Ferroelastic domains: mesoscopic mediators of elastic and diffusion properties of solids
International Nuclear Information System (INIS)
Redfern, S.A.T.
2002-01-01
Full text: Microstructure is well known to play a major role in determining the mechanical properties of a material such as its hardness, slip, ductility, and creep. Another important question is how microstructure affects the chemical reactivity of a material. Dislocations and vacancies greatly enhance transport of reactants, which increases reactivity. Fast diffusion is also believed to occur along grain boundaries, providing means for mass transport over distances of cm to metres. Here, however, I focus on the influence of (intra-grain) domain microstructures associated with structural phase transitions, in particular ferroelastic phase transitions and their associated domain walls. It has been found that these can cause a large increase in chemical reactivity. Examples include those found in measurement and computational simulation of transport and diffusion of Na and Li in perovskite structures and in quartz. It has been demonstrated that ferroelastic microstructure can exert a profound control on transport, providing a possible route to the synthesis and fabrication of novel devices. The bulk elastic properties of crystals are commonly affected by phase transitions occurring within them. For ferroelastic transitions Landau theory provides a good model of the critical behaviour of the elastic constants, with mean field behaviour being followed closely. But the influence of the microstructure that results from these transitions on the apparent elastic behaviour of materials can be even greater. The behaviour of the elastic storage modulus and elastic loss modulus of a strontium-calcium titanate perovskite as a function of temperature through the cubic-tetragonal phase transition. The large elastic loss ('tan delta') arises from the movement of domain walls under applied stress in the three-point bend geometry of the experiment, and their interaction with pinning centres and grain boundaries. The dynamics of domain movement and relaxation behave according to a
Multi-level nonlinear diffusion acceleration method for multigroup transport k-Eigenvalue problems
International Nuclear Information System (INIS)
Anistratov, Dmitriy Y.
2011-01-01
The nonlinear diffusion acceleration (NDA) method is an efficient and flexible transport iterative scheme for solving reactor-physics problems. This paper presents a fast iterative algorithm for solving multigroup neutron transport eigenvalue problems in 1D slab geometry. The proposed method is defined by a multi-level system of equations that includes multigroup and effective one-group low-order NDA equations. The Eigenvalue is evaluated in the exact projected solution space of smallest dimensionality, namely, by solving the effective one- group eigenvalue transport problem. Numerical results that illustrate performance of the new algorithm are demonstrated. (author)
Transport of neutral solute across articular cartilage: the role of zonal diffusivities.
Arbabi, V; Pouran, B; Weinans, H; Zadpoor, A A
2015-07-01
Transport of solutes through diffusion is an important metabolic mechanism for the avascular cartilage tissue. Three types of interconnected physical phenomena, namely mechanical, electrical, and chemical, are all involved in the physics of transport in cartilage. In this study, we use a carefully designed experimental-computational setup to separate the effects of mechanical and chemical factors from those of electrical charges. Axial diffusion of a neutral solute Iodixanol into cartilage was monitored using calibrated microcomputed tomography micro-CT images for up to 48 hr. A biphasic-solute computational model was fitted to the experimental data to determine the diffusion coefficients of cartilage. Cartilage was modeled either using one single diffusion coefficient (single-zone model) or using three diffusion coefficients corresponding to superficial, middle, and deep cartilage zones (multizone model). It was observed that the single-zone model cannot capture the entire concentration-time curve and under-predicts the near-equilibrium concentration values, whereas the multizone model could very well match the experimental data. The diffusion coefficient of the superficial zone was found to be at least one order of magnitude larger than that of the middle zone. Since neutral solutes were used, glycosaminoglycan (GAG) content cannot be the primary reason behind such large differences between the diffusion coefficients of the different cartilage zones. It is therefore concluded that other features of the different cartilage zones such as water content and the organization (orientation) of collagen fibers may be enough to cause large differences in diffusion coefficients through the cartilage thickness.
Transport properties of stochastic Lorentz models
Beijeren, H. van
Diffusion processes are considered for one-dimensional stochastic Lorentz models, consisting of randomly distributed fixed scatterers and one moving light particle. In waiting time Lorentz models the light particle makes instantaneous jumps between scatterers after a stochastically distributed
Analysis on the moment method for determining the moisture transport properties in porous media
International Nuclear Information System (INIS)
Wang, B.X.; Fang, Z.H.
1987-01-01
The authors discuss a new unsteady-state method proposed for determining the moisture transport properties in wet porous media. It is based on measurement of the change in moment of gravity caused by the moisture migration. In addition to its high-speed performance, this method may get rid of the difficulty in determination of a changing moisture content or moisture distribution. On this basis, two particular procedures are contrived: a constant heat source method for determining the thermal mass diffusivity and an instantaneous moisture source method for determining the moisture diffusivity
International Nuclear Information System (INIS)
Smedley-Stevenson, Richard P.; McClarren, Ryan G.
2015-01-01
This paper attempts to unify the asymptotic diffusion limit analysis of thermal radiation transport schemes, for a linear-discontinuous representation of the material temperature reconstructed from cell centred temperature unknowns, in a process known as ‘source tilting’. The asymptotic limits of both Monte Carlo (continuous in space) and deterministic approaches (based on linear-discontinuous finite elements) for solving the transport equation are investigated in slab geometry. The resulting discrete diffusion equations are found to have nonphysical terms that are proportional to any cell-edge discontinuity in the temperature representation. Based on this analysis it is possible to design accurate schemes for representing the material temperature, for coupling thermal radiation transport codes to a cell centred representation of internal energy favoured by ALE (arbitrary Lagrange–Eulerian) hydrodynamics schemes
Analytical solutions of a fractional diffusion-advection equation for solar cosmic-ray transport
International Nuclear Information System (INIS)
Litvinenko, Yuri E.; Effenberger, Frederic
2014-01-01
Motivated by recent applications of superdiffusive transport models to shock-accelerated particle distributions in the heliosphere, we analytically solve a one-dimensional fractional diffusion-advection equation for the particle density. We derive an exact Fourier transform solution, simplify it in a weak diffusion approximation, and compare the new solution with previously available analytical results and with a semi-numerical solution based on a Fourier series expansion. We apply the results to the problem of describing the transport of energetic particles, accelerated at a traveling heliospheric shock. Our analysis shows that significant errors may result from assuming an infinite initial distance between the shock and the observer. We argue that the shock travel time should be a parameter of a realistic superdiffusive transport model.
Energy Technology Data Exchange (ETDEWEB)
Smedley-Stevenson, Richard P., E-mail: richard.smedley-stevenson@awe.co.uk [AWE PLC, Aldermaston, Reading, Berkshire, RG7 4PR (United Kingdom); Department of Earth Science and Engineering, Imperial College London, SW7 2AZ (United Kingdom); McClarren, Ryan G., E-mail: rmcclarren@ne.tamu.edu [Department of Nuclear Engineering, Texas A & M University, College Station, TX 77843-3133 (United States)
2015-04-01
This paper attempts to unify the asymptotic diffusion limit analysis of thermal radiation transport schemes, for a linear-discontinuous representation of the material temperature reconstructed from cell centred temperature unknowns, in a process known as ‘source tilting’. The asymptotic limits of both Monte Carlo (continuous in space) and deterministic approaches (based on linear-discontinuous finite elements) for solving the transport equation are investigated in slab geometry. The resulting discrete diffusion equations are found to have nonphysical terms that are proportional to any cell-edge discontinuity in the temperature representation. Based on this analysis it is possible to design accurate schemes for representing the material temperature, for coupling thermal radiation transport codes to a cell centred representation of internal energy favoured by ALE (arbitrary Lagrange–Eulerian) hydrodynamics schemes.
Heat transport in the XXZ spin chain: from ballistic to diffusive regimes and dephasing enhancement
International Nuclear Information System (INIS)
Mendoza-Arenas, J J; Al-Assam, S; Clark, S R; Jaksch, D
2013-01-01
In this work we study the heat transport in an XXZ spin-1/2 Heisenberg chain with homogeneous magnetic field, incoherently driven out of equilibrium by reservoirs at the boundaries. We focus on the effect of bulk dephasing (energy-dissipative) processes in different parameter regimes of the system. The non-equilibrium steady state of the chain is obtained by simulating its evolution under the corresponding Lindblad master equation, using the time evolving block decimation method. In the absence of dephasing, the heat transport is ballistic for weak interactions, while being diffusive in the strongly interacting regime, as evidenced by the heat current scaling with the system size. When bulk dephasing takes place in the system, diffusive transport is induced in the weakly interacting regime, with the heat current monotonically decreasing with the dephasing rate. In contrast, in the strongly interacting regime, the heat current can be significantly enhanced by dephasing for systems of small size. (paper)
A hybrid transport-diffusion method for Monte Carlo radiative-transfer simulations
International Nuclear Information System (INIS)
Densmore, Jeffery D.; Urbatsch, Todd J.; Evans, Thomas M.; Buksas, Michael W.
2007-01-01
Discrete Diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Monte Carlo particle-transport simulations in diffusive media. If standard Monte Carlo is used in such media, particle histories will consist of many small steps, resulting in a computationally expensive calculation. In DDMC, particles take discrete steps between spatial cells according to a discretized diffusion equation. Each discrete step replaces many small Monte Carlo steps, thus increasing the efficiency of the simulation. In addition, given that DDMC is based on a diffusion equation, it should produce accurate solutions if used judiciously. In practice, DDMC is combined with standard Monte Carlo to form a hybrid transport-diffusion method that can accurately simulate problems with both diffusive and non-diffusive regions. In this paper, we extend previously developed DDMC techniques in several ways that improve the accuracy and utility of DDMC for nonlinear, time-dependent, radiative-transfer calculations. The use of DDMC in these types of problems is advantageous since, due to the underlying linearizations, optically thick regions appear to be diffusive. First, we employ a diffusion equation that is discretized in space but is continuous in time. Not only is this methodology theoretically more accurate than temporally discretized DDMC techniques, but it also has the benefit that a particle's time is always known. Thus, there is no ambiguity regarding what time to assign a particle that leaves an optically thick region (where DDMC is used) and begins transporting by standard Monte Carlo in an optically thin region. Also, we treat the interface between optically thick and optically thin regions with an improved method, based on the asymptotic diffusion-limit boundary condition, that can produce accurate results regardless of the angular distribution of the incident Monte Carlo particles. Finally, we develop a technique for estimating radiation momentum deposition during the
Energy Technology Data Exchange (ETDEWEB)
Cartier, J
2006-04-15
This thesis focuses on mathematical analysis, numerical resolution and modelling of the transport equations. First of all, we deal with numerical approximation of the solution of the transport equations by using a mixed-hybrid scheme. We derive and study a mixed formulation of the transport equation, then we analyse the related variational problem and present the discretization and the main properties of the scheme. We particularly pay attention to the behavior of the scheme and we show its efficiency in the diffusion limit (when the mean free path is small in comparison with the characteristic length of the physical domain). We present academical benchmarks in order to compare our scheme with other methods in many physical configurations and validate our method on analytical test cases. Unstructured and very distorted meshes are used to validate our scheme. The second part of this thesis deals with two transport problems. The first one is devoted to the study of diffusion due to boundary conditions in a transport problem between two plane plates. The second one consists in modelling and simulating radiative transfer phenomenon in case of the industrial context of inertial confinement fusion. (author)
Energy Technology Data Exchange (ETDEWEB)
Cartier, J
2006-04-15
This thesis focuses on mathematical analysis, numerical resolution and modelling of the transport equations. First of all, we deal with numerical approximation of the solution of the transport equations by using a mixed-hybrid scheme. We derive and study a mixed formulation of the transport equation, then we analyse the related variational problem and present the discretization and the main properties of the scheme. We particularly pay attention to the behavior of the scheme and we show its efficiency in the diffusion limit (when the mean free path is small in comparison with the characteristic length of the physical domain). We present academical benchmarks in order to compare our scheme with other methods in many physical configurations and validate our method on analytical test cases. Unstructured and very distorted meshes are used to validate our scheme. The second part of this thesis deals with two transport problems. The first one is devoted to the study of diffusion due to boundary conditions in a transport problem between two plane plates. The second one consists in modelling and simulating radiative transfer phenomenon in case of the industrial context of inertial confinement fusion. (author)
中村 博文; 西 正孝
2003-01-01
Re-evaluation of tritium permeation through vertical target of divertor under the ITER operation condition was carried out using tritium transport properties in the candidate materials such as the diffusion coefficient and the trapping factors in tungsten for armor, and the surface recombination coefficient on copper for the heat sink obtained by authors' recent investigation (authors' data), which simulated the plasma-facing conditions of ITER. Evaluation with the data set of previous evalua...
Beznoussenko, Galina V; Parashuraman, Seetharaman; Rizzo, Riccardo; Polishchuk, Roman; Martella, Oliviano; Di Giandomenico, Daniele; Fusella, Aurora; Spaar, Alexander; Sallese, Michele; Capestrano, Maria Grazia; Pavelka, Margit; Vos, Matthijn R; Rikers, Yuri GM; Helms, Volkhard; Mironov, Alexandre A; Luini, Alberto
2014-01-01
The mechanism of transport through the Golgi complex is not completely understood, insofar as no single transport mechanism appears to account for all of the observations. Here, we compare the transport of soluble secretory proteins (albumin and α1-antitrypsin) with that of supramolecular cargoes (e.g., procollagen) that are proposed to traverse the Golgi by compartment progression–maturation. We show that these soluble proteins traverse the Golgi much faster than procollagen while moving through the same stack. Moreover, we present kinetic and morphological observations that indicate that albumin transport occurs by diffusion via intercisternal continuities. These data provide evidence for a transport mechanism that applies to a major class of secretory proteins and indicate the co-existence of multiple intra-Golgi trafficking modes. DOI: http://dx.doi.org/10.7554/eLife.02009.001 PMID:24867214
Application of diffusion theory to neutral atom transport in fusion plasmas
International Nuclear Information System (INIS)
Hasan, M.Z.; Conn, R.W.; Pomraning, G.C.
1986-05-01
It is found that energy dependent diffusion theory provides excellent accuracy in the modelling of transport of neutral atoms in fusion plasmas. Two reasons in particular explain the good accuracy. First, while the plasma is optically thick for low energy neutrals, it is optically thin for high energy neutrals and diffusion theory with Marshak boundary conditions gives accurate results for an optically thin medium even for small values of 'c', the ratio of the scattering to the total cross section. Second, the effective value of 'c' at low energy becomes very close to one due to the down-scattering via collisions of high energy neutrals. The first reason is proven both computationally and theoretically by solving the transport equation in a power series in 'c' and the diffusion equation with 'general' Marshak boundary conditions. The second reason is established numerically by comparing the results from a one-dimensional, general geometry, multigroup diffusion theory code, written for this purpose, with the results obtained using the transport code ANISN
Electronic transport properties of nanostructured MnSi-films
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.
Fourno, A.; Grenier, C.; Benabderrahmane, H.
2003-04-01
Modeling flow and transport in natural fractured media is a difficult issue due among others to the complexity of the system, the particularities of the geometrical features, the strong parameter value contrasts between the fracture zones (flow zones) and the matrix zones (no flow zones). This lead to the development of dedicated tools like for instance discrete fracture network models (DFN). We follow here another line applicable for classical continuous modeling codes. The fracture network is not meshed here but presence of fractures is taken into account by means of continuous heterogeneous fields (permeability, porosity, head, velocity, concentration ...). This line, followed by different authors, is referred as smeared fracture approach and presents the following advantages: the approach is very versatile because no dedicated spatial discretization effort is required (we use a basic regular mesh, simulations can be done on a rough mesh saving computer time). This makes this kind of approach very promising for taking heterogeneity of properties as well as uncertainties into account within a Monte Carlo framework for instance. Furthermore, the geometry of the matrix blocks where transfers proceed by diffusion is fully taken into account contrary to classical simplified 1D approach for instance. Nevertheless continuous heterogeneous field representation of a fractured medium requires a homogenization process at the scale of the mesh considered. Literature proves that this step of homogenization for transport is still a challenging task. Consequently, the level precision of the results has to be estimated. We precedently proposed a new approach dedicated to Mixed and Hybrid Finite Element approach. This numerical scheme is very interesting for such highly heterogeneous media and in particular guaranties exact conservation of mass flow for each mesh leading to good transport results. We developed a smeared fractures approach to model flow and transport limited to
Transport and diffusion climatology of the US Atlantic and Gulf coasts
International Nuclear Information System (INIS)
Raynor, G.S.; Hayes, J.V.
1980-01-01
This study is part of a larger study of coastal meteorology and diffusion and was planned to assist in site selection of energy facilities by describing the transport and diffusion climatology of the United States east and Gulf coasts in as much detail as can be extracted from readily available meteorological data. The area covered in this study is the United States east and Gulf coasts from Maine to Texas. The region studied is all within the coastal plain and is generally characterized by flat beaches and very gentle slopes inland except in New England, where the coast is more rugged and the terrain hilly close to the sea. Meteorological variables of primary concern in this study are those which govern or influence transport and diffusion of airborne gases and particles. The most important are wind direction and speed and some measure of diffusive capacity such as turbulence, gustiness or lapse rate. Eight stations were chosen to give four pairs for comparison between a coastal station and another somewhat farther inland. The pairs are Boston and Bedford, Massachusetts; Belmar and Lakehurst, New Jersey; Cape Kennedy and Orlando, Florida; and Galveston and Houston, Texas. The same years of data were obtained for both stations in each pair. Results of selected examples are presented. The frequency of calms and of winds in the three sectors relative to the coastline is reported for the 25 coastal stations from Portland, Maine (PWM) to Brownsville, Texas (BRO). Differences between day and night in wind direction distribution are shown for six selected stations. The frequency of the five diffusion rating classes at the same coastal stations during onshore winds is also shown. Differences in dffusion conditions between day and night at six selected stations are given. The results obtained were arranged for easy use with diffusion models in which the primary meteorological inputs are wind speed and measures of lateral and vertical diffusion
A diffusive ink transport model for lipid dip-pen nanolithography
Urtizberea, A.; Hirtz, M.
2015-09-01
Despite diverse applications, phospholipid membrane stacks generated by dip-pen nanolithography (DPN) still lack a thorough and systematic characterization that elucidates the whole ink transport process from writing to surface spreading, with the aim of better controlling the resulting feature size and resolution. We report a quantitative analysis and modeling of the dependence of lipid DPN features (area, height and volume) on dwell time and relative humidity. The ink flow rate increases with humidity in agreement with meniscus size growth, determining the overall feature size. The observed time dependence indicates the existence of a balance between surface spreading and the ink flow rate that promotes differences in concentration at the meniscus/substrate interface. Feature shape is controlled by the substrate surface energy. The results are analyzed within a modified model for the ink transport of diffusive inks. At any humidity the dependence of the area spread on the dwell time shows two diffusion regimes: at short dwell times growth is controlled by meniscus diffusion while at long dwell times surface diffusion governs the process. The critical point for the switch of regime depends on the humidity.Despite diverse applications, phospholipid membrane stacks generated by dip-pen nanolithography (DPN) still lack a thorough and systematic characterization that elucidates the whole ink transport process from writing to surface spreading, with the aim of better controlling the resulting feature size and resolution. We report a quantitative analysis and modeling of the dependence of lipid DPN features (area, height and volume) on dwell time and relative humidity. The ink flow rate increases with humidity in agreement with meniscus size growth, determining the overall feature size. The observed time dependence indicates the existence of a balance between surface spreading and the ink flow rate that promotes differences in concentration at the meniscus
Diffuser Design for Marine Outfalls in Areas with Strong Currents, High waves and Sediment Transport
DEFF Research Database (Denmark)
Larsen, Torben
1995-01-01
The design of marine outfalls is often based on environmental criteria for a minimum initial dilution. Accordingly advanced diffuser arrangement are designed to fulfil these requirements. A large number of examples of malfunction and blocking in sea outfalls have occurred around the world...... as a result of this uncompromising consent to environmental demands. Two examples of unconventional design are given in this paper. Both cases involved risk of blockage of the diffuser section because of wave and current induced sediment transport The paper also discusses how acceptable far field dilution...
Convective and diffusive effects on particle transport in asymmetric periodic capillaries.
Directory of Open Access Journals (Sweden)
Nazmul Islam
Full Text Available We present here results of a theoretical investigation of particle transport in longitudinally asymmetric but axially symmetric capillaries, allowing for the influence of both diffusion and convection. In this study we have focused attention primarily on characterizing the influence of tube geometry and applied hydraulic pressure on the magnitude, direction and rate of transport of particles in axi-symmetric, saw-tooth shaped tubes. Three initial value problems are considered. The first involves the evolution of a fixed number of particles initially confined to a central wave-section. The second involves the evolution of the same initial state but including an ongoing production of particles in the central wave-section. The third involves the evolution of particles a fully laden tube. Based on a physical model of convective-diffusive transport, assuming an underlying oscillatory fluid velocity field that is unaffected by the presence of the particles, we find that transport rates and even net transport directions depend critically on the design specifics, such as tube geometry, flow rate, initial particle configuration and whether or not particles are continuously introduced. The second transient scenario is qualitatively independent of the details of how particles are generated. In the third scenario there is no net transport. As the study is fundamental in nature, our findings could engender greater understanding of practical systems.
Quantum-corrected drift-diffusion models for transport in semiconductor devices
International Nuclear Information System (INIS)
De Falco, Carlo; Gatti, Emilio; Lacaita, Andrea L.; Sacco, Riccardo
2005-01-01
In this paper, we propose a unified framework for Quantum-corrected drift-diffusion (QCDD) models in nanoscale semiconductor device simulation. QCDD models are presented as a suitable generalization of the classical drift-diffusion (DD) system, each particular model being identified by the constitutive relation for the quantum-correction to the electric potential. We examine two special, and relevant, examples of QCDD models; the first one is the modified DD model named Schroedinger-Poisson-drift-diffusion, and the second one is the quantum-drift-diffusion (QDD) model. For the decoupled solution of the two models, we introduce a functional iteration technique that extends the classical Gummel algorithm widely used in the iterative solution of the DD system. We discuss the finite element discretization of the various differential subsystems, with special emphasis on their stability properties, and illustrate the performance of the proposed algorithms and models on the numerical simulation of nanoscale devices in two spatial dimensions
Energy Technology Data Exchange (ETDEWEB)
Casalegno, A.; Colombo, L.; Galbiati, S.; Marchesi, R. [Department of Energy, Politecnico di Milano, via Lambruschini 4, 20156 Milano (Italy)
2010-07-01
Optimization of water management in polymer electrolyte membrane fuel cells (PEMFC) and in direct methanol fuel cells (DMFC) is a very important factor for the achievement of high performances and long lifetime. A good hydration of the electrolyte membrane is essential for high proton conductivity; on the contrary water in excess may lead to electrode flooding and severe reduction in performances. Many studies on water transport across the gas diffusion layer (GDL) have been carried out to improve these components; anyway efforts in this field are affected by lack of effective experimental methods. The present work reports an experimental investigation with the purpose to determine the global coefficient of water transport across different diffusion layers under real operating conditions. An appropriate and accurate experimental apparatus has been designed and built to test the single GDL under a wide range of operating conditions. Data analysis has allowed quantification of both the water vapor transport across different diffusion layers, and the effects of micro-porous layers; furthermore flooding onset and its consequences on the mass transport coefficient have been characterized by means of suitably defined parameters. (author)
Carbon dioxide sequestration: Modeling the diffusive and convective transport under a CO2 cap
Allen, Rebecca
2012-01-01
A rise in carbon dioxide levels from industrial emissions is contributing to the greenhouse effect and global warming. CO2 sequestration in saline aquifers is a strategy to reduce atmospheric CO2 levels. Scientists and researchers rely on numerical simulators to predict CO2 storage by modeling the fluid transport behaviour. Studies have shown that after CO2 is injected into a saline aquifer, undissolved CO2 rises due to buoyant forces and will spread laterally away from the injection site under an area of low permeability. CO2 from this ‘capped\\' region diffuses into the fluid underlying it, and the resulting CO2-fluid mixture increases in density. This increase in density leads to gravity-driven convection. Accordingly, diffusive-convective transport is important to model since it predicts an enhanced storage capacity of the saline aquifer. This work incorporates the diffusive and convective transport processes into the transport modeling equation, and uses a self-generated code. Discretization of the domain is done with a cell-centered finite difference method. Cases are set up using similar parameters from published literature in order to compare results. Enhanced storage capacity is predicted in this work, similar to work done by others. A difference in the onset of convective transport between this work and published results is noticed and discussed in this paper. A sensitivity analysis is performed on the density model used in this work, and on the diffusivity value assumed. The analysis shows that the density model and diffusivity value is a key component on simulation results. Also, perturbations are added to porosity and permeability in order to see the effect of perturbations on the onset of convection, and results agree with similar findings by others. This work provides a basis for studying other cases, such as the impact of heterogeneity on the diffusion-convective transport. An extension of this work may involve the use of an equation of state to
Convective-diffusive transport of fission products in the gap of a failed fuel element
International Nuclear Information System (INIS)
Lian, Z.W.; Carlucci, L.N.; Arimescu, V.I.
1995-03-01
A model is presented to describe the transport behaviour of gaseous fission products along the axial fuel-to-sheathe gap of a failed fuel element to the coolant system. The model is applicable to an element having failed under normal operating conditions or loss-of coolant-accident conditions. Because of the large differences in operating parameters, the transport characteristics of gaseous fission products in a failed element under these two operating conditions are significantly different. However, in both cases the transport process can be described by convection-diffusion caused by the continuous release of fission products from the fuel to the gap. Under normal operating conditions, the bulk-flow velocity is found to be negligible, due to the low release rate of fission products from fuel. The process can be well approximated by the diffusion of fission products in a stagnant gas-steam mixture. The effect of convection on the fission product transport, however, becomes significant under loss-of-coolant-accident conditions, where the release rates of fission products from fuel can be several orders of magnitude higher that that under normal operating conditions. The convection of the mixture in the gap not only contributes an additional flux to the gas-mixture transport, but also increases the gradient of fission products concentration across the opening, and therefore increases the diffusion flux to the coolant. As a result of the bulk flow, the transport of fission products along the gap is accelerated and the hold-up of short-lived isotopes in the gap is significantly reduced. Steam ingress through the opening into the gap is obstructed by the bulk flow, resulting in low steam concentrations in the gap under loss-of-coolant-accident conditions. (author). 6 refs., 8 figs
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.))
DEFF Research Database (Denmark)
Binning, Philip John; Postma, Diederik Jan; Russel, T.F.
2007-01-01
Pyrite oxidation in unsaturated mine waste rock dumps and soils is limited by the supply of oxygen from the atmosphere. In models, oxygen transport through the subsurface is often assumed to be driven by diffusion. However, oxygen comprises 23.2% by mass of dry air, and when oxygen is consumed at...... parameters; for example, the time to approach steady state depends exponentially on the distance between the soil surface and the subsurface reactive zone. Copyright 2007 by the American Geophysical Union....... at depth in the unsaturated zone, a pressure gradient is created between the reactive zone and the ground surface, causing a substantial advective air flow into the subsurface. To determine the balance between advective and diffusive transport, a one-dimensional multicomponent unsaturated zone gas...
Resuspension of toxic aerosol using MATHEW--ADPIC wind field--transport and diffusion codes
International Nuclear Information System (INIS)
Porch, W.M.
1979-01-01
Computer codes have been written which estimate toxic aerosol resuspension based on computed deposition from a primary source, wind, and surface characteristics. The primary deposition pattern and the transport, diffusion, and redeposition of the resuspended toxic aerosol are calculated using a mass-consistent wind field model including topography (MATHEW) and a particle-in-cell diffusion and transport model (ADPIC) which were developed at LLL. The source term for resuspended toxic aerosol is determined by multiplying the total aerosol flux as a function of wind speed by the area of highest concentration and the fraction of suspended material estimated to be toxic. Preliminary calculations based on a test problem at the Nevada Test Site determined an hourly averaged maximum resuspension factor of 10 -4 for a 15 m/sec wind which is within an admittedly large range of resuspension factor measurements using experimental data
International Nuclear Information System (INIS)
Yokoyama, Masayuki
2014-01-01
A statistical approach is proposed to predict thermal diffusivity profiles as a transport “model” in fusion plasmas. It can provide regression expressions for the ion and electron heat diffusivities (χ i and χ e ), separately, to construct their radial profiles. An approach that this letter is proposing outstrips the conventional scaling laws for the global confinement time (τ E ) since it also deals with profiles (temperature, density, heating depositions etc.). This approach has become possible with the analysis database accumulated by the extensive application of the integrated transport analysis suite to experiment data. In this letter, TASK3D-a analysis database for high-ion-temperature (high-T i ) plasmas in the LHD (Large Helical Device) is used as an example to describe an approach. (author)
The Transport Equation in Optically Thick Media: Discussion of IMC and its Diffusion Limit
Energy Technology Data Exchange (ETDEWEB)
Szoke, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Brooks, E. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2016-07-12
We discuss the limits of validity of the Implicit Monte Carlo (IMC) method for the transport of thermally emitted radiation. The weakened coupling between the radiation and material energy of the IMC method causes defects in handling problems with strong transients. We introduce an approach to asymptotic analysis for the transport equation that emphasizes the fact that the radiation and material temperatures are always different in time-dependent problems, and we use it to show that IMC does not produce the correct diffusion limit. As this is a defect of IMC in the continuous equations, no improvement to its discretization can remedy it.
International Nuclear Information System (INIS)
Erckmann, V.; Gasparino, U.; Giannone, L.
1992-01-01
ECRH power modulation experiments in toroidal devices offer the chance to analyze the electron heat transport more conclusively: the electron heat wave propagation can be observed by ECE (or SX) leading to radial profiles of electron temperature modulation amplitude and time delay (phase shift). Taking also the stationary power balance into account, the local electron heat transport can be modelled by a combination of diffusive and convective transport terms. This method is applied to ECRH discharges in the W7-AS stellarator (B=2.5T, R=2m, a≤18 cm) where the ECRH power deposition is highly localized. In W7-AS, the T e modulation profiles measured by a high resolution ECE system are the basis for the local transport analysis. As experimental errors limit the separation of diffusive and convective terms in the electron heat transport for central power deposition, also ECRH power modulation experiments with off-axis deposition and inward heat wave propagation were performed (with 70 GHz o-mode as well as with 140 GHz x-mode for increased absorption). Because collisional electron-ion coupling and radiative losses are only small, low density ECRH discharges are best candidates for estimating the electron heat flux from power balance. (author) 2 refs., 3 figs
Modeling cytoskeletal traffic: an interplay between passive diffusion and active transport.
Neri, Izaak; Kern, Norbert; Parmeggiani, Andrea
2013-03-01
We introduce the totally asymmetric simple exclusion process with Langmuir kinetics on a network as a microscopic model for active motor protein transport on the cytoskeleton, immersed in the diffusive cytoplasm. We discuss how the interplay between active transport along a network and infinite diffusion in a bulk reservoir leads to a heterogeneous matter distribution on various scales: we find three regimes for steady state transport, corresponding to the scale of the network, of individual segments, or local to sites. At low exchange rates strong density heterogeneities develop between different segments in the network. In this regime one has to consider the topological complexity of the whole network to describe transport. In contrast, at moderate exchange rates the transport through the network decouples, and the physics is determined by single segments and the local topology. At last, for very high exchange rates the homogeneous Langmuir process dominates the stationary state. We introduce effective rate diagrams for the network to identify these different regimes. Based on this method we develop an intuitive but generic picture of how the stationary state of excluded volume processes on complex networks can be understood in terms of the single-segment phase diagram.
Mechanical properties of dynamic diffusion bonded joints in a mild alloy steel
International Nuclear Information System (INIS)
Gomez de Salazar, J. M.; Urena, A.; Menendez, M.
2001-01-01
Mechanical properties in Dynamic Diffusion Bonded (DDB) in a A.S.T.M. 1045 steel (=.45%C) joints were studied. The thermomechanical cycle added to the process, favours both the initial deformation stage and probably the diffusion mechanisms which participate in bond formation. (Author) 11 refs
Vaudelle, Fabrice; L'Huillier, Jean-Pierre; Askoura, Mohamed Lamine
2017-06-01
Red and near-Infrared light is often used as a useful diagnostic and imaging probe for highly scattering media such as biological tissues, fruits and vegetables. Part of diffusively reflected light gives interesting information related to the tissue subsurface, whereas light recorded at further distances may probe deeper into the interrogated turbid tissues. However, modelling diffusive events occurring at short source-detector distances requires to consider both the distribution of the light sources and the scattering phase functions. In this report, a modified Monte Carlo model is used to compute light transport in curved and multi-layered tissue samples which are covered with a thin and highly diffusing tissue layer. Different light source distributions (ballistic, diffuse or Lambertian) are tested with specific scattering phase functions (modified or not modified Henyey-Greenstein, Gegenbauer and Mie) to compute the amount of backscattered and transmitted light in apple and human skin structures. Comparisons between simulation results and experiments carried out with a multispectral imaging setup confirm the soundness of the theoretical strategy and may explain the role of the skin on light transport in whole and half-cut apples. Other computational results show that a Lambertian source distribution combined with a Henyey-Greenstein phase function provides a higher photon density in the stratum corneum than in the upper dermis layer. Furthermore, it is also shown that the scattering phase function may affect the shape and the magnitude of the Bidirectional Reflectance Distribution (BRDF) exhibited at the skin surface.
A diffusive ink transport model for lipid dip-pen nanolithography.
Urtizberea, A; Hirtz, M
2015-10-14
Despite diverse applications, phospholipid membrane stacks generated by dip-pen nanolithography (DPN) still lack a thorough and systematic characterization that elucidates the whole ink transport process from writing to surface spreading, with the aim of better controlling the resulting feature size and resolution. We report a quantitative analysis and modeling of the dependence of lipid DPN features (area, height and volume) on dwell time and relative humidity. The ink flow rate increases with humidity in agreement with meniscus size growth, determining the overall feature size. The observed time dependence indicates the existence of a balance between surface spreading and the ink flow rate that promotes differences in concentration at the meniscus/substrate interface. Feature shape is controlled by the substrate surface energy. The results are analyzed within a modified model for the ink transport of diffusive inks. At any humidity the dependence of the area spread on the dwell time shows two diffusion regimes: at short dwell times growth is controlled by meniscus diffusion while at long dwell times surface diffusion governs the process. The critical point for the switch of regime depends on the humidity.
Energy Technology Data Exchange (ETDEWEB)
Strauss, R. D.; Engelbrecht, N. E.; Dunzlaff, P. [Center for Space Research, North-West University, Potchefstroom, 2522 (South Africa); Roux, J. A. le [Center for Space Plasma and Aeronomic Research, University of Alabama in Huntsville, Huntsville, AL 3585 (United States); Ruffolo, D., E-mail: dutoit.strauss@nwu.ac.za [Department of Physics, Faculty of Science, Mahidol University, Bangkok 10400 (Thailand)
2016-07-01
We investigate the transport of charged particles across magnetic discontinuities, focusing specifically on stream interfaces associated with co-rotating interaction regions in the solar wind. We argue that the magnetic field fluctuations perpendicular to the magnetic discontinuity, and usually also perpendicular to the mean magnetic field, are strongly damped in the vicinity of such a magnetic structure, leading to anisotropic perpendicular diffusion. Assuming that perpendicular diffusion arises from drifts in a turbulent magnetic field, we adopt a simplified approach to derive the relevant perpendicular diffusion coefficient. This approach, which we believe gives the correct principal dependences as expected from more elaborate calculations, allows us to investigate transport in different turbulent geometries, such as longitudinal compressional turbulence that may be present near the heliopause. Although highly dependent on the (possibly anisotropic) perpendicular length scales and turbulence levels, we generally find perpendicular diffusion to be strongly damped at magnetic discontinuities, which may in turn provide an explanation for the large particle gradients associated with these structures.
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...
Ommen, van, H.C.
1988-01-01
A simple theory to predict groundwater quality upon contamination from diffuse sources was developed. It appeared that an analogy exists between the predominant transport phenomena and the reaction of a reservoir, in which perfect mixing takes place. Such an analogy enables a simple incorporation of physico-chemical processes (decomposition, adsorption), as was shown by an illustrative response of the quality of groundwater to an input of a radio-active decaying solute (and its decay...
Crowding and hopping in a protein’s diffusive transport on DNA
International Nuclear Information System (INIS)
Koslover, Elena F; Spakowitz, Andrew J; Díaz de la Rosa, Mario
2017-01-01
Diffusion is a ubiquitous phenomenon that impacts virtually all processes that involve random fluctuations, and as such, the foundational work of Smoluchowski has proven to be instrumental in addressing innumerable problems. Here, we focus on a critical biological problem that relies on diffusive transport and is analyzed using a probabilistic treatment originally developed by Smoluchowski. The search of a DNA binding protein for its specific target site is believed to rely on non-specific binding to DNA with transient hops along the chain. In this work, we address the impact of protein crowding along the DNA on the transport of a DNA-binding protein. The crowders dramatically alter the dynamics of the protein while bound to the DNA, resulting in single-file transport that is subdiffusive in nature. However, transient unbinding and hopping results in a long-time behavior (shown to be superdiffusive) that is qualitatively unaffected by the crowding on the DNA. Thus, hopping along the chain mitigates the role that protein crowding has in restricting the translocation dynamics along the chain. The superdiffusion coefficient is influenced by the quantitative values of the effective binding rate, which is influenced by protein crowding. We show that vacancy fraction and superdiffusion coefficient exhibits a non-monotonic relationship under many circumstances. We leverage analytical theory and dynamic Monte Carlo simulations to address this problem. With several additional contributions, the core of our modeling work adopts a reaction-diffusion framework that is based on Smoluchowski’s original work. (paper)
A simple Boltzmann transport equation for ballistic to diffusive transient heat transport
International Nuclear Information System (INIS)
Maassen, Jesse; Lundstrom, Mark
2015-01-01
Developing simplified, but accurate, theoretical approaches to treat heat transport on all length and time scales is needed to further enable scientific insight and technology innovation. Using a simplified form of the Boltzmann transport equation (BTE), originally developed for electron transport, we demonstrate how ballistic phonon effects and finite-velocity propagation are easily and naturally captured. We show how this approach compares well to the phonon BTE, and readily handles a full phonon dispersion and energy-dependent mean-free-path. This study of transient heat transport shows (i) how fundamental temperature jumps at the contacts depend simply on the ballistic thermal resistance, (ii) that phonon transport at early times approach the ballistic limit in samples of any length, and (iii) perceived reductions in heat conduction, when ballistic effects are present, originate from reductions in temperature gradient. Importantly, this framework can be recast exactly as the Cattaneo and hyperbolic heat equations, and we discuss how the key to capturing ballistic heat effects is to use the correct physical boundary conditions
ADDIGAS. Advective and diffusive gas transport in rock salt formations. Final report
International Nuclear Information System (INIS)
Jockwer, Norbert; Wieczorek, Klaus
2008-04-01
Beside granite and clay formations also rock salt is investigated as potential host rock for the disposal or radioactive waste. As a result of the mining activities the stress and strain state is changed which leads to dilatancy (i.e., volume increase, manly caused by microfracturing) in the vicinity of the excavations. The affected area is termed as Excavation Disturbed Zone (EDZ) and is characterized by an increased porosity and permeability with micro- and potential macrofractures. For the radioactive waste disposal in a geologic formation the properties of the EDZ with its permeability, extent, and evolution with time is of importance especially for the construction and building of geotechnical barriers. In the recent years the EDZ in rock salt formations was investigated at GRS in the frame of various projects. Main subjects of these projects were the characterisation of the EDZ with regard to its extent, hydraulic behaviour and possible healing at the in-situ stress conditions. The main emphasis of the ADDIGAS project reported here was the evolution of the EDZ after cutting off the drift contour, the anisotropy of permeability, and the diffusive gas transport which had not been investigated in earlier projects. Moreover, an constitutive model for calculating EDZ behaviour which had been developed in the frame of the BAMBUS II project was tested. The experimental work was performed on the 800-m level of the ASSe salt mine. The project ran from 2004 to 2007 and was funded by German Ministry of Economics and Labour (BMWA) under the contract No. 02 E 9924. The modelling work was co-funded by the CEC in the frame of the Integrated Project NF-PRO under contract no. F16W-CT-2003-002389. (orig.)
On estimating the effective diffusive properties of hardened cement pastes
International Nuclear Information System (INIS)
Stora, E.; Bary, B.; Stora, E.; He, Qi-Chang
2008-01-01
The effective diffusion coefficients of hardened cement pastes can vary between a few orders of magnitude. The paper aims at building a homogenization model to estimate these macroscopic diffusivities and capture such strong variations. For this purpose, a three-scale description of the paste is proposed, relying mainly on the fact that the initial cement grains hydrate forming a complex microstructure with a multi-scale pore structure. In particular, porosity is found to be well connected at a fine scale. However, only a few homogenization schemes are shown to be adequate to account for such connectivity. Among them, the mixed composite spheres assemblage estimate (Stora, E., He, Q.-C., Bary, B.: J. Appl. Phys. 100(8), 084910, 2006a) seems to be the only one that always complies with rigorous bounds and is consequently employed to predict the effects of this fine porosity on the material effective diffusivities. The model proposed provides predictions in good agreement with experimental results and is consistent with the numerous measurements of critical pore diameters issued from mercury intrusion porosimetry tests. The evolution of the effective diffusivities of cement pastes subjected to leaching is also assessed by adopting a simplified scenario of the decalcification process. (authors)
International Nuclear Information System (INIS)
Yasa, F.; Anli, F.; Guengoer, S.
2007-01-01
We present analytical calculations of spherically symmetric radioactive transfer and neutron transport using a hypothesis of P1 and T1 low order polynomial approximation for diffusion coefficient D. Transport equation in spherical geometry is considered as the pseudo slab equation. The validity of polynomial expansionion in transport theory is investigated through a comparison with classic diffusion theory. It is found that for causes when the fluctuation of the scattering cross section dominates, the quantitative difference between the polynomial approximation and diffusion results was physically acceptable in general
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 ...
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.
Chakraverty, S; Sahoo, B K; Rao, T D; Karunakar, P; Sapra, B K
2018-02-01
Modelling radon transport in the earth crust is a useful tool to investigate the changes in the geo-physical processes prior to earthquake event. Radon transport is modeled generally through the deterministic advection-diffusion equation. However, in order to determine the magnitudes of parameters governing these processes from experimental measurements, it is necessary to investigate the role of uncertainties in these parameters. Present paper investigates this aspect by combining the concept of interval uncertainties in transport parameters such as soil diffusivity, advection velocity etc, occurring in the radon transport equation as applied to soil matrix. The predictions made with interval arithmetic have been compared and discussed with the results of classical deterministic model. The practical applicability of the model is demonstrated through a case study involving radon flux measurements at the soil surface with an accumulator deployed in steady-state mode. It is possible to detect the presence of very low levels of advection processes by applying uncertainty bounds on the variations in the observed concentration data in the accumulator. The results are further discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.
Computer program for calculating thermodynamic and transport properties of fluids
Hendricks, R. C.; Braon, A. K.; Peller, I. C.
1975-01-01
Computer code has been developed to provide thermodynamic and transport properties of liquid argon, carbon dioxide, carbon monoxide, fluorine, helium, methane, neon, nitrogen, oxygen, and parahydrogen. Equation of state and transport coefficients are updated and other fluids added as new material becomes available.
Molecular properties of bacterial multidrug transporters
Putman, M; van Veen, HW; Konings, WN
2000-01-01
One of the mechanisms that bacteria utilize to evade the toxic effects of antibiotics is the active extrusion of structurally unrelated drugs from the cell. Both intrinsic and acquired multidrug transporters play an important role in antibiotic resistance of several pathogens, including Neisseria
Determination of thermal-diffusive properties of lyophilized food products
International Nuclear Information System (INIS)
Kaplon, J.; Kramkowski, R.; Berdzik, M.
1998-01-01
Experimental results of vacuum freeze drying were presented. Water solutions of skim milk were dried under various pressures and distribution of temperature and moisture as a function of drying time were determined. Unilateral radiant heating of the material was applied. On the basis of experiment results and URIF model of vacuum freeze drying the thermal conductivity and vapour diffusion coefficients in dry layer were determined
Point defects and transport properties in carbides
International Nuclear Information System (INIS)
Matzke, Hj.
1984-01-01
Carbides of transition metals and of actinides are interesting and technologically important. The transition-metal carbides (or carbonitrides) are extensively being used as hard materials and some of them are of great interest because of the high transition temperature for superconductivity, e.g. 17 K for Nb(C,N). Actinide carbides and carbonitrides, (U,Pu)C and (U,Pu)(C,N) are being considered as promising advanced fuels for liquid metal cooled fast breeder nuclear reactors. Basic interest exists in all these materials because of their high melting points (e.g. 4250 K for TaC) and the unusually broad range of homogeneity of nonstoichiometric compositions (e.g. from UCsub(0.9) to UCsub(1.9) at 2500 K). Interaction of point defects to clusters and short-range ordering have recently been studied with elastic neutron diffraction and diffuse scattering techniques, and calculations of energies of formation and interaction of point defects became available for selected carbides. Diffusion measurements also exist for a number of carbides, in particular for the actinide carbides. The existing knowledge is discussed and summarized with emphasis on informative examples of particular technological relevance. (Auth.)
International Nuclear Information System (INIS)
Travis, J.R.
1985-01-01
It is now possible to analyze the time-dependent, fully three-dimensional behavior of hydrogen diffusion flames in nuclear reactor containments. This analysis involves coupling the full Navier-Stokes equations with multi-species transport to the global chemical kinetics of hydrogen combustion. A transport equation for the subgrid scale turbulent kinetic energy density is solved to produce the time and space dependent turbulent transport coefficients. The heat transfer coefficient governing the exchange of heat between fluid computational cells adjacent to wall cells is calculated by a modified Reynolds analogy formulation. The analysis of a MARK-III containment indicates very complex flow patterns that greatly influence fluid and wall temperatures and heat fluxes. 18 refs., 24 figs
Diffusion and adhesion properties of Cu films on polyimide substrates
International Nuclear Information System (INIS)
Liang, T.X.; Liu, Y.Q.; Fu, Z.Q.; Luo, T.Y.; Zhang, K.Y.
2005-01-01
Copper thin films were prepared on polyimide (PI) substrates by physical vapor deposition (PVD) and chemical vapor deposition (CVD). Titanium nitride (TiN) diffusion barrier layers were deposited between the copper films and the PI substrates by PVD. Auger electron spectroscopy compositional depth profile showed that TiN barrier layer was very effective in preventing copper diffusion into PI substrate even after the Cu/TiN/PI samples were annealed at 300 deg. C for 5 h. For the as-deposited CVD-Cu/PI, CVD-Cu/TiN/PI, and as-deposited PVD-Cu/PI samples, the residual stress in Cu films was very small. Relatively larger residual stress existed in Cu films for PVD-Cu/TiN/PI samples. For PVD-Cu/TiN/PI samples, annealing can increase the peeling strength to the level observed without a diffusion barrier. The adhesion improvement of Cu films by annealing treatment can be attributed to lowering of the residual tensile stress in Cu films
Fonseca, E. S. R.; de Jesus, M. E. P.
2007-07-01
The estimation of optical properties of highly turbid and opaque biological tissue is a difficult task since conventional purely optical methods rapidly loose sensitivity as the mean photon path length decreases. Photothermal methods, such as pulsed or frequency domain photothermal radiometry (FD-PTR), on the other hand, show remarkable sensitivity in experimental conditions that produce very feeble optical signals. Photothermal Radiometry is primarily sensitive to absorption coefficient yielding considerably higher estimation errors on scattering coefficients. Conversely, purely optical methods such as Local Diffuse Reflectance (LDR) depend mainly on the scattering coefficient and yield much better estimates of this parameter. Therefore, at moderate transport albedos, the combination of photothermal and reflectance methods can improve considerably the sensitivity of detection of tissue optical properties. The authors have recently proposed a novel method that combines FD-PTR with LDR, aimed at improving sensitivity on the determination of both optical properties. Signal analysis was performed by global fitting the experimental data to forward models based on Monte-Carlo simulations. Although this approach is accurate, the associated computational burden often limits its use as a forward model. Therefore, the application of analytical models based on the diffusion approximation offers a faster alternative. In this work, we propose the calculation of the diffuse reflectance and the fluence rate profiles under the δ-P I approximation. This approach is known to approximate fluence rate expressions better close to collimated sources and boundaries than the standard diffusion approximation (SDA). We extend this study to the calculation of the diffuse reflectance profiles. The ability of the δ-P I based model to provide good estimates of the absorption, scattering and anisotropy coefficients is tested against Monte-Carlo simulations over a wide range of scattering to
The Role of Diffusion in the Transport of Energetic Electrons during Solar Flares
Energy Technology Data Exchange (ETDEWEB)
Bian, Nicolas H.; Kontar, Eduard P. [School of Physics and Astronomy, University of Glasgow, Glasgow G12 8QQ, Scotland (United Kingdom); Emslie, A. Gordon, E-mail: nicolas.bian@glasgow.gla.ac.uk, E-mail: emslieg@wku.edu [Department of Physics and Astronomy, Western Kentucky University, Bowling Green, KY 42101 (United States)
2017-02-01
The transport of the energy contained in suprathermal electrons in solar flares plays a key role in our understanding of many aspects of flare physics, from the spatial distributions of hard X-ray emission and energy deposition in the ambient atmosphere to global energetics. Historically the transport of these particles has been largely treated through a deterministic approach, in which first-order secular energy loss to electrons in the ambient target is treated as the dominant effect, with second-order diffusive terms (in both energy and angle) generally being either treated as a small correction or even neglected. Here, we critically analyze this approach, and we show that spatial diffusion through pitch-angle scattering necessarily plays a very significant role in the transport of electrons. We further show that a satisfactory treatment of the diffusion process requires consideration of non-local effects, so that the electron flux depends not just on the local gradient of the electron distribution function but on the value of this gradient within an extended region encompassing a significant fraction of a mean free path. Our analysis applies generally to pitch-angle scattering by a variety of mechanisms, from Coulomb collisions to turbulent scattering. We further show that the spatial transport of electrons along the magnetic field of a flaring loop can be modeled rather effectively as a Continuous Time Random Walk with velocity-dependent probability distribution functions of jump sizes and occurrences, both of which can be expressed in terms of the scattering mean free path.
Yan, Zhifeng; Yang, Xiaofan; Li, Siliang; Hilpert, Markus
2017-11-01
The lattice Boltzmann method (LBM) based on single-relaxation-time (SRT) or multiple-relaxation-time (MRT) collision operators is widely used in simulating flow and transport phenomena. The LBM based on two-relaxation-time (TRT) collision operators possesses strengths from the SRT and MRT LBMs, such as its simple implementation and good numerical stability, although tedious mathematical derivations and presentations of the TRT LBM hinder its application to a broad range of flow and transport phenomena. This paper describes the TRT LBM clearly and provides a pseudocode for easy implementation. Various transport phenomena were simulated using the TRT LBM to illustrate its applications in subsurface environments. These phenomena include advection-diffusion in uniform flow, Taylor dispersion in a pipe, solute transport in a packed column, reactive transport in uniform flow, and bacterial chemotaxis in porous media. The TRT LBM demonstrated good numerical performance in terms of accuracy and stability in predicting these transport phenomena. Therefore, the TRT LBM is a powerful tool to simulate various geophysical and biogeochemical processes in subsurface environments.
Allen, Rebecca
2011-01-01
done on the diffusive-convective transport that occurs under a cap of CO2-saturated fluid, which results after CO2 is injected into an aquifer and spreads laterally under an area of low permeability. The diffusive-convective modeling reveals an enhanced
The effect of moiture transport and sorption hystersis on ionic multispecies diffusion in concrete
DEFF Research Database (Denmark)
Johannesson, Björn; Hosokawa, Y.; Yamada, K.
2008-01-01
Concrete durability is very much dependent on the moisture and ionic species concentration in the pore solution. Therefore it is of interest to find physically based models for predicting the evolution and variations of these properties for different kinds of relevant boundary conditions. A porous...... to identify properties such as definitions of the chemical potentials of constituents. The non-equilibrium results from such evaluations is subjected to linearization in order to obtain a generalized Darcy flow equation and a set of generalized Fickian equations including for electrical fields induced...... the diffusion of ions in the pore system. Mainly this is due to the moisture content, that is, an increased diffusion resistance at low moisture contents (and the other way around) as predicted by the hysteresis model during cases with variation of the ambient relative humidity. Further, discussions...
Okhio, Cyril B.
1995-01-01
A theoretical and an experimental design study of subsonic flow through curved-wall annular diffusers is being carried out in order to establish the most pertinent design parameters for such devices and the implications of their application in the design of engine components in the aerospace industries. This investigation consists of solving numerically the full Navier Stokes and Continuity equations for the time-mean flow. Various models of turbulence are being evaluated for adoption throughout the study and comparisons would be made with experimental data where they exist. Assessment of diffuser performance based on the dissipated mechanical energy would also be made. The experimental work involves the application of Computer Aided Design software tool to the development of a suitable annular diffuser geometry and the subsequent downloading of such data to a CNC machine at Central State University. The results of the investigations are expected to indicate that more cost effective component design of such devices as effective component design of such devices as diffusers which normally contain complex flows can still be achieved. In this regard a review paper was accepted and presented at the First International Conference on High Speed Civil Transportation Research held at North Carolina A&T in December of 1994.
Modeling bioluminescent photon transport in tissue based on Radiosity-diffusion model
Sun, Li; Wang, Pu; Tian, Jie; Zhang, Bo; Han, Dong; Yang, Xin
2010-03-01
Bioluminescence tomography (BLT) is one of the most important non-invasive optical molecular imaging modalities. The model for the bioluminescent photon propagation plays a significant role in the bioluminescence tomography study. Due to the high computational efficiency, diffusion approximation (DA) is generally applied in the bioluminescence tomography. But the diffusion equation is valid only in highly scattering and weakly absorbing regions and fails in non-scattering or low-scattering tissues, such as a cyst in the breast, the cerebrospinal fluid (CSF) layer of the brain and synovial fluid layer in the joints. A hybrid Radiosity-diffusion model is proposed for dealing with the non-scattering regions within diffusing domains in this paper. This hybrid method incorporates a priori information of the geometry of non-scattering regions, which can be acquired by magnetic resonance imaging (MRI) or x-ray computed tomography (CT). Then the model is implemented using a finite element method (FEM) to ensure the high computational efficiency. Finally, we demonstrate that the method is comparable with Mont Carlo (MC) method which is regarded as a 'gold standard' for photon transportation simulation.
Tucker, Joseph E.; Mauzerall, David; Tucker, Edward B.
1989-01-01
The kinetics of symplastic transport in staminal hairs of Setcreasea purpurea was studied. The tip cell of a staminal hair was microinjected with carboxyfluorescein (CF) and the symplastic transport of this CF was videotaped and the digital data analyzed to produce kinetic curves. Using a finite difference equation for diffusion between cells and for loss of dye into the vacuole, kinetic curves were calculated and fitted to the observed data. These curves were matched with data from actual microinjection experiments by adjusting K (the coefficient of intercellular junction diffusion) and L (the coefficient of intracellular loss) until a minimum in the least squares difference between the curves was obtained. (a) Symplastic transport of CF was governed by diffusion through intercellular pores (plasmodesmata) and intracellular loss. Diffusion within the cell cytoplasm was never limiting. (b) Each cell and its plasmodesmata must be considered as its own diffusion system. Therefore, a diffusion coefficient cannot be calculated for an entire chain of cells. (c) The movement through plasmodesmata in either direction was the same since the data are fit by a diffusion equation. (d) Diffusion through the intercellular pores was estimated to be slower than diffusion through similar pores filled with water. PMID:16666864
Tucker, J E; Mauzerall, D; Tucker, E B
1989-07-01
The kinetics of symplastic transport in staminal hairs of Setcreasea purpurea was studied. The tip cell of a staminal hair was microinjected with carboxyfluorescein (CF) and the symplastic transport of this CF was videotaped and the digital data analyzed to produce kinetic curves. Using a finite difference equation for diffusion between cells and for loss of dye into the vacuole, kinetic curves were calculated and fitted to the observed data. These curves were matched with data from actual microinjection experiments by adjusting K (the coefficient of intercellular junction diffusion) and L (the coefficient of intracellular loss) until a minimum in the least squares difference between the curves was obtained. (a) Symplastic transport of CF was governed by diffusion through intercellular pores (plasmodesmata) and intracellular loss. Diffusion within the cell cytoplasm was never limiting. (b) Each cell and its plasmodesmata must be considered as its own diffusion system. Therefore, a diffusion coefficient cannot be calculated for an entire chain of cells. (c) The movement through plasmodesmata in either direction was the same since the data are fit by a diffusion equation. (d) Diffusion through the intercellular pores was estimated to be slower than diffusion through similar pores filled with water.
International Nuclear Information System (INIS)
Mieussens, Luc
2013-01-01
The unified gas kinetic scheme (UGKS) of K. Xu et al. (2010) [37], originally developed for multiscale gas dynamics problems, is applied in this paper to a linear kinetic model of radiative transfer theory. While such problems exhibit purely diffusive behavior in the optically thick (or small Knudsen) regime, we prove that UGKS is still asymptotic preserving (AP) in this regime, but for the free transport regime as well. Moreover, this scheme is modified to include a time implicit discretization of the limit diffusion equation, and to correctly capture the solution in case of boundary layers. Contrary to many AP schemes, this method is based on a standard finite volume approach, it does neither use any decomposition of the solution, nor staggered grids. Several numerical tests demonstrate the properties of the scheme
Charlet, Laurent; Alt-Epping, Peter; Wersin, Paul; Gilbert, Benjamin
2017-08-01
Clay rocks are low permeability sedimentary formations that provide records of Earth history, influence the quality of water resources, and that are increasingly used for the extraction or storage of energy resources and the sequestration of waste materials. Informed use of clay rock formations to achieve low-carbon or carbon-free energy goals requires the ability to predict the rates of diffusive transport processes for chemically diverse dissolved and gaseous species over periods up to thousands of years. We survey the composition, properties and uses of clay rock and summarize fundamental science challenges in developing confident conceptual and quantitative gas and solute transport models.
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)
Rock-matrix diffusion in transport of salinity. Implementation in CONNECTFLOW
International Nuclear Information System (INIS)
Hoch, A.R.; Jackson, C.P.
2004-07-01
calculations were carried out for a Base Case without rock-matrix diffusion, but with the porosity taken to be all of the accessible porosity in the rock matrix, and for nine variants with different values of the rock-matrix diffusion parameters. In the calculations, piecewise linear interpolation was used for the residual pressure and the salinity, and piecewise constant interpolation was used for the groundwater density. Nodal quadrature helps to avoid so-called 'mass-matrix' ripples in the salinity resulting from the finite-element discretisation of the time derivative terms in the flow and transport equations. These changes make the numerical equations less non-linear and therefore easier to solve. In the sequential iteration scheme, at each time step: (i) the average density in each element is calculated from a suitable equation; (ii) the residual pressure at the end of the time step is calculated (using the calculated average density) from a discretised version of the steady-state flow equations; (iii) the salinity at the end of the time step is calculated from a discretised version of the salinity transport equation using the calculated average density and calculated flow. There are different variants of this scheme, in which a single cycle of the above calculations is carried out for each time step, or a fixed number of cycles is carried out, or the cycles are repeated until convergence is obtained for the non-linear equations at each time step. It was found that, for the realistic example, repeating the cycles until convergence was obtained required a small time step, leading to prohibitively long calculations. However, if the time-stepping scheme that involved only a single cycle for each time step was used, it was found to be possible to use much larger time steps, similar to those used in calculations for the model without rock-matrix diffusion. This scheme was therefore adopted for the calculations.With these changes, it proved to be possible to carry out
Tricoli, Ugo; Macdonald, Callum M.; Durduran, Turgut; Da Silva, Anabela; Markel, Vadim A.
2018-02-01
Diffuse correlation tomography (DCT) uses the electric-field temporal autocorrelation function to measure the mean-square displacement of light-scattering particles in a turbid medium over a given exposure time. The movement of blood particles is here estimated through a Brownian-motion-like model in contrast to ordered motion as in blood flow. The sensitivity kernel relating the measurable field correlation function to the mean-square displacement of the particles can be derived by applying a perturbative analysis to the correlation transport equation (CTE). We derive an analytical expression for the CTE sensitivity kernel in terms of the Green's function of the radiative transport equation, which describes the propagation of the intensity. We then evaluate the kernel numerically. The simulations demonstrate that, in the transport regime, the sensitivity kernel provides sharper spatial information about the medium as compared with the correlation diffusion approximation. Also, the use of the CTE allows one to explore some additional degrees of freedom in the data such as the collimation direction of sources and detectors. Our results can be used to improve the spatial resolution of DCT, in particular, with applications to blood flow imaging in regions where the Brownian motion is dominant.
Is there ballistic transport in metallic nano-objects? Ballistic versus diffusive contributions
International Nuclear Information System (INIS)
Garcia, N; Bai Ming; Lu Yonghua; Munoz, M; Cheng Hao; Levanyuk, A P
2007-01-01
When discussing the resistance of an atomic-or nanometre-size contact we should consider both its ballistic and its diffusive contributions. But there is a contribution of the leads to the resistance of the contact as well. In this context, the geometry and the roughness of the surfaces limiting the system will contribute to the resistance, and these contributions should be added to the ideal ballistic resistance of the nanocontact. We have calculated, for metallic materials, the serial resistance of the leads arising from the roughness, and our calculations show that the ohmic resistance is as important as the ballistic resistance of the constriction. The classical resistance is a lower limit to the quantum resistance of the leads. Many examples of earlier experiments show that the mean free path of the transport electrons is of the order of the size of the contacts or the leads. This is not compatible with the idea of ballistic transport. This result may put in serious difficulties the current, existing interpretation of experimental data in metals where only small serial resistances compared with the ballistic component of the total resistance have been taken into account. The two-dimensional electron gas (2DEG) is also discussed and the serial corrections appear to be smaller than for metals. Experiments with these last systems are proposed that may reveal new interesting aspects in the physics of ballistic and diffusive transport
Choudhary, Mangilal; Mukherjee, S; Bandyopadhyay, P
2016-05-01
A versatile linear dusty (complex) plasma device is designed to study the transport and dynamical behavior of dust particles in a large volume. Diffused inductively coupled plasma is generated in the background of argon gas. A novel technique is used to introduce the dust particles in the main plasma by striking a secondary direct current glow discharge. These dust particles are found to get trapped in an electrostatic potential well, which is formed due to the combination of the ambipolar electric field caused by diffusive plasma and the field produced by the charged glass wall of the vacuum chamber. According to the requirements, the volume of the dust cloud can be controlled very precisely by tuning the plasma and discharge parameters. The present device can be used to address the underlying physics behind the transport of dust particles, self-excited dust acoustic waves, and instabilities. The detailed design of this device, plasma production and characterization, trapping and transport of the dust particle, and some of the preliminary experimental results are presented.
International Nuclear Information System (INIS)
Zhang, Tao; Guo, Zhansheng
2014-01-01
The effects of electrode properties and fabricated pressure on Li ion diffusion and diffusion-induced stress in a cylindrical Li-ion battery are studied. It is found that hydrostatic pressure or elastic modulus variation in the active layer have little effect on the distribution of Li ions for a higher diffusivity coefficient, but both can facilitate Li ion diffusion for a lower diffusivity coefficient. The elastic modulus variation has a significant effect on the distribution of stress and hydrostatic pressure can reduce the surface stress for the lower diffusivity coefficient. A higher charging rate causes a more transient response in the stress history, but a linear charging history is observed for slow charging rates. A higher charging rate would not inflict extra damage on the electrode for the higher diffusivity coefficient and the stress history becomes highly transient and charging rate dependent for the lower diffusivity coefficient. The effect of fabricated pressure can be neglected. (paper)
Physical transport properties of marine microplastic pollution
Ballent, A.; Purser, A.; Mendes, P. de Jesus; Pando, S.; Thomsen, L.
2012-12-01
Given the complexity of quantitative collection, knowledge of the distribution of microplastic pollution in many regions of the world ocean is patchy, both spatially and temporally, especially for the subsurface environment. However, with knowledge of typical hydrodynamic behavior of waste plastic material, models predicting the dispersal of pelagic and benthic plastics from land sources into the ocean are possible. Here we investigate three aspects of plastic distribution and transport in European waters. Firstly, we assess patterns in the distribution of plastics found in fluvial strandlines of the North Sea and how distribution may be related to flow velocities and distance from source. Second, we model transport of non-buoyant preproduction pellets in the Nazaré Canyon of Portugal using the MOHID system after assessing the density, settling velocity, critical and depositional shear stress characteristics of such waste plastics. Thirdly, we investigate the effect of surface turbulences and high pressures on a range of marine plastic debris categories (various densities, degradation states and shapes tested) in an experimental water column simulator tank and pressure laboratory. Plastics deposited on North Sea strandlines varied greatly spatially, as a function of material composition and distance from source. Model outputs indicated that such dense production pellets are likely transported up and down canyon as a function of tidal forces, with only very minor net down canyon movement. Behaviour of plastic fragments under turbulence varied greatly, with the dimensions of the material, as well as density, playing major determining roles. Pressure was shown to affect hydrodynamic behaviours of only low density foam plastics at pressures ≥ 60 bar.
Statistical properties of transport in plasma turbulence
DEFF Research Database (Denmark)
Naulin, V.; Garcia, O.E.; Nielsen, A.H.
2004-01-01
The statistical properties of the particle flux in different types of plasma turbulence models are numerically investigated using probability distribution functions (PDFs). The physics included in the models range from two-dimensional drift wave turbulence to three-dimensional MHD dynamics...
Improved age-diffusion model for low-energy electron transport in solids. I. Theory
International Nuclear Information System (INIS)
Devooght, J.; Dubus, A.; Dehaes, J.C.
1987-01-01
We have developed in this paper a semianalytical electron transport model designed for parametric studies of secondary-electron emission induced by low-energy electrons (keV range) and by fast light ions (100 keV range). The primary-particle transport is assumed to be known and to give rise to an internal electron source. The importance of the nearly isotropic elastic scattering in the secondary-electron energy range (50 eV) and the slowing-down process strongly reduce the influence of the anisotropy of the internal electron source, and the internal electron flux is nearly isotropic as is evidenced by the experimental results. The differential energy behavior of the inelastic scattering kernel is very complicated and the real kernel is replaced by a synthetic scattering kernel of which parameters are obtained by energy and angle moments conservation. Through a P 1 approximation and the use of the synthetic scattering kernel, the Boltzmann equation is approximated by a diffusion--slowing-down equation for the isotropic part of the internal electron flux. The energy-dependent partial reflection boundary condition reduces to a Neumann-Dirichlet boundary condition. An analytical expression for the Green's function of the diffusion--slowing-down equation with the surface boundary condition is obtained by means of approximations close to the age-diffusion theory and the model allows for transient conditions. Independently from the ''improved age-diffusion'' model, a correction formula is developed in order to take into account the backscattering of primary electrons for an incident-electron problem
Investigation of electronic transport properties of some liquid transition metals
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.
Smith, Alex J; Yao, Xiaoming; Dix, James A; Jin, Byung-Ju; Verkman, Alan S
2017-08-21
Transport of solutes through brain involves diffusion and convection. The importance of convective flow in the subarachnoid and paravascular spaces has long been recognized; a recently proposed 'glymphatic' clearance mechanism additionally suggests that aquaporin-4 (AQP4) water channels facilitate convective transport through brain parenchyma. Here, the major experimental underpinnings of the glymphatic mechanism were re-examined by measurements of solute movement in mouse brain following intracisternal or intraparenchymal solute injection. We found that: (i) transport of fluorescent dextrans in brain parenchyma depended on dextran size in a manner consistent with diffusive rather than convective transport; (ii) transport of dextrans in the parenchymal extracellular space, measured by 2-photon fluorescence recovery after photobleaching, was not affected just after cardiorespiratory arrest; and (iii) Aqp4 gene deletion did not impair transport of fluorescent solutes from sub-arachnoid space to brain in mice or rats. Our results do not support the proposed glymphatic mechanism of convective solute transport in brain parenchyma.
Directory of Open Access Journals (Sweden)
Demongeot Jacques
2004-06-01
Full Text Available Abstract Background The transport of intra-cellular particles by microtubules is a major biological function. Under appropriate in vitro conditions, microtubule preparations behave as a 'complex' system and show 'emergent' phenomena. In particular, they form dissipative structures that self-organise over macroscopic distances by a combination of reaction and diffusion. Results Here, we show that self-organisation also gives rise to a collective transport of colloidal particles along a specific direction. Particles, such as polystyrene beads, chromosomes, nuclei, and vesicles are carried at speeds of several microns per minute. The process also results in the macroscopic self-organisation of these particles. After self-organisation is completed, they show the same pattern of organisation as the microtubules. Numerical simulations of a population of growing and shrinking microtubules, incorporating experimentally realistic reaction dynamics, predict self-organisation. They forecast that during self-organisation, macroscopic parallel arrays of oriented microtubules form which cross the reaction space in successive waves. Such travelling waves are capable of transporting colloidal particles. The fact that in the simulations, the aligned arrays move along the same direction and at the same speed as the particles move, suggest that this process forms the underlying mechanism for the observed transport properties. Conclusions This process constitutes a novel physical chemical mechanism by which chemical energy is converted into collective transport of colloidal particles along a given direction. Self-organisation of this type provides a new mechanism by which intra cellular particles such as chromosomes and vesicles can be displaced and simultaneously organised by microtubules. It is plausible that processes of this type occur in vivo.
Glade, Nicolas; Demongeot, Jacques; Tabony, James
2004-01-01
Background The transport of intra-cellular particles by microtubules is a major biological function. Under appropriate in vitro conditions, microtubule preparations behave as a 'complex' system and show 'emergent' phenomena. In particular, they form dissipative structures that self-organise over macroscopic distances by a combination of reaction and diffusion. Results Here, we show that self-organisation also gives rise to a collective transport of colloidal particles along a specific direction. Particles, such as polystyrene beads, chromosomes, nuclei, and vesicles are carried at speeds of several microns per minute. The process also results in the macroscopic self-organisation of these particles. After self-organisation is completed, they show the same pattern of organisation as the microtubules. Numerical simulations of a population of growing and shrinking microtubules, incorporating experimentally realistic reaction dynamics, predict self-organisation. They forecast that during self-organisation, macroscopic parallel arrays of oriented microtubules form which cross the reaction space in successive waves. Such travelling waves are capable of transporting colloidal particles. The fact that in the simulations, the aligned arrays move along the same direction and at the same speed as the particles move, suggest that this process forms the underlying mechanism for the observed transport properties. Conclusions This process constitutes a novel physical chemical mechanism by which chemical energy is converted into collective transport of colloidal particles along a given direction. Self-organisation of this type provides a new mechanism by which intra cellular particles such as chromosomes and vesicles can be displaced and simultaneously organised by microtubules. It is plausible that processes of this type occur in vivo. PMID:15176973
CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989
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
Nonlinear waves in reaction-diffusion systems: The effect of transport memory
International Nuclear Information System (INIS)
Manne, K. K.; Hurd, A. J.; Kenkre, V. M.
2000-01-01
Motivated by the problem of determining stress distributions in granular materials, we study the effect of finite transport correlation times on the propagation of nonlinear wave fronts in reaction-diffusion systems. We obtain results such as the possibility of spatial oscillations in the wave-front shape for certain values of the system parameters and high enough wave-front speeds. We also generalize earlier known results concerning the minimum wave-front speed and shape-speed relationships stemming from the finiteness of the correlation times. Analytic investigations are made possible by a piecewise linear representation of the nonlinearity. (c) 2000 The American Physical Society
Nonlinear waves in reaction-diffusion systems: The effect of transport memory
Manne, K. K.; Hurd, A. J.; Kenkre, V. M.
2000-04-01
Motivated by the problem of determining stress distributions in granular materials, we study the effect of finite transport correlation times on the propagation of nonlinear wave fronts in reaction-diffusion systems. We obtain results such as the possibility of spatial oscillations in the wave-front shape for certain values of the system parameters and high enough wave-front speeds. We also generalize earlier known results concerning the minimum wave-front speed and shape-speed relationships stemming from the finiteness of the correlation times. Analytic investigations are made possible by a piecewise linear representation of the nonlinearity.
Potential of BODIPY-cholesterol for analysis of cholesterol transport and diffusion in living cells
DEFF Research Database (Denmark)
Wüstner, Daniel; Lund, Frederik Wendelboe; Röhrl, Clemens
2016-01-01
and collaborative efforts with Bob Bittman for studying diffusion in the plasma membrane (PM) and uptake of BChol in a quantitative manner. For that purpose, we used a variety of fluorescence approaches including fluorescence correlation spectroscopy and its imaging variants, fluorescence recovery after...... photobleaching (FRAP) and fluorescence loss in photobleaching (FLIP). We also describe pulse-chase studies from the PM using BChol in direct comparison to DHE. Based on the gathered imaging data, we present a two-step kinetic model for sterol transport between PM and recycling endosomes. In addition, we...
Changes in diffusion properties of biological tissues associated with mechanical strain
International Nuclear Information System (INIS)
Tanaka, Kenichiro; Imae, T.; Mima, Kazuo; Sekino, Masaki; Ohsaki, Hiroyuki; Ueno, Shogo
2007-01-01
Mechanical strain in biological tissues causes a change in the diffusion properties of water molecules. This paper proposes a method of estimating mechanical strain in biological tissues using diffusion magnetic resonance imaging (MRI). Measurements were carried out on uncompressed and compressed chicken skeletal muscles. A theoretical model of the diffusion of water molecules in muscle fibers was derived based on Tanner's equation. Diameter of the muscle fibers was estimated by fitting the model equation to the measured signals. Changes in the mean diffusivity (MD), the fractional anisotropy (FA), and diameter of the muscle fiber did not have any statistical significance. The intracellular diffusion coefficient (D int ) was changed by mechanical strain (p<.05). This method has potential applications in the quantitative evaluation of strain in biological tissues, a though it poses several technical challenges. (author)
Diffusion in random networks: Asymptotic properties, and numerical and engineering approximations
Padrino, Juan C.; Zhang, Duan Z.
2016-11-01
The ensemble phase averaging technique is applied to model mass transport by diffusion in random networks. The system consists of an ensemble of random networks, where each network is made of a set of pockets connected by tortuous channels. Inside a channel, we assume that fluid transport is governed by the one-dimensional diffusion equation. Mass balance leads to an integro-differential equation for the pores mass density. The so-called dual porosity model is found to be equivalent to the leading order approximation of the integration kernel when the diffusion time scale inside the channels is small compared to the macroscopic time scale. As a test problem, we consider the one-dimensional mass diffusion in a semi-infinite domain, whose solution is sought numerically. Because of the required time to establish the linear concentration profile inside a channel, for early times the similarity variable is xt- 1 / 4 rather than xt- 1 / 2 as in the traditional theory. This early time sub-diffusive similarity can be explained by random walk theory through the network. In addition, by applying concepts of fractional calculus, we show that, for small time, the governing equation reduces to a fractional diffusion equation with known solution. We recast this solution in terms of special functions easier to compute. Comparison of the numerical and exact solutions shows excellent agreement.
Prediction of solubility and diffusion properties of pesticides in polymers
DEFF Research Database (Denmark)
Suné, Nuria Muro
2006-01-01
Anvendelse af teknologier til kontrolleret frigivelse af et pesticid til omgivelserne har stort potentiale for den kemiske industri i forbindelse med produkter til landbrugssektoren. Denne teknologi muliggør en optimering af udskillelsen af et aktivt stof, samt en reduktion af de mulige skadelige...... påvirkninger stoffet måtte have på miljøet og mennesker. Evnen til at simulere og analysere den kontrollerede frigivelse/udskilning af et aktivt stof er meget anvendelig i produkt design fasen, hvor mange kombinationer af pesticider og polymerer testes for at opnå den ønskede tidsafhængige frigivelse...... stofferne i polymerblandingen beregnes. En model baseret på gruppebidragsprincippet er blevet valgt og videreudviklet, hvormed det er gjort muligt at inkludere komplekse stoffer som pesticider i opløslighedsberegningerne. Den prædiktive model for diffusion er baseret på 'free volume' diffusionsteorien, med...
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
Energy Technology Data Exchange (ETDEWEB)
Sachs, W. [Institut fuer Erdoel- und Erdgasforschung, Clausthal-Zellerfeld (Germany)
1998-12-31
Optimisation of gas production necessitates accurate knowledge of gas transport mechanisms. In view of the extreme temperatures, pressures, and permeability conditions of underground gas deposits, linear transfer of existing knowledge will be inappropriate. The author therefore uses a simple capillary bundle model with exemplary pressures, temperatures and permeabilities in order to assess the contribution of transport by diffusion. The diffusion coefficients, which are required for this and so far could not be measured under pressure, were determined by a new experimental method whose results will permit a better interpretation of the concentration dependence of the diffusion coefficient. The velocity of methane inflow and outflow in the water-filled pore space may provide knowledge on problems of gas storage in the pore space. (orig.) [Deutsch] Fuer den Foerderprozess und insbesondere seine Optimierung ist eine genaue Kenntnis der Transportmechanismen wesentlich. Unter den drastischen Bedingungen fuer Temperatur, Druck und Permeabilitaet tiefliegender Gas-Lagerstaetten mag die Uebertragung der bisherigen Vorstellungen ueber den Transport in der Lagerstaette zu einer unvollstaendigen Beschreibung fuehren. Unter Anwendung eines einfachen Kapillarbuendelmodells wird mit Beispielen fuer Druck, Temperatur und Permeabilitaet der moegliche Beitrag des Transports durch Diffusion abgeschaetzt. Zur Bestimmung der hierfuer notwendigen und bisher unter Druckbeaufschlagung nicht gemessenen Diffusionskoeffizienten wurde eine neue experimentelle Methode angewandt, deren Ergebnisse eine weiterfuehrende Interpretation der Konzentrationsabhaengigkeit des Diffusionskoeffizienten ermoeglichen. Auch fuer Fragestellungen der Speicherung von Gas im Porenraum kann die Geschwindigkeit der Ein- und Ausloesung von Methan im wasserhaltigen Porenraum von Interesse sein. (orig.)
Transport properties of mesoscopic graphene rings
International Nuclear Information System (INIS)
Xu, N.; Ding, J.W.; Wang, B.L.; Shi, D.N.; Sun, H.Q.
2012-01-01
Based on a recursive Green's function method, we investigate the conductance of mesoscopic graphene rings in the presence of disorder, in the limit of phase coherent transport. Two models of disorder are considered: edge disorder and surface disorder. Our simulations show that the conductance decreases exponentially with the edge disorder and the surface disorder. In the presence of flux, a clear Aharonov-Bohm conductance oscillation with the period Φ 0 (Φ 0 =h/e) is observed. The edge disorder and the surface disorder have no effect on the period of AB oscillation. The amplitudes of AB oscillations vary with gate voltage and flux, which is consistent with the previous results. Additionally, ballistic rectification and negative differential resistance are observed in I-V curves, with on/off characteristic.
A numerical model of non-equilibrium thermal plasmas. I. Transport properties
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.
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.
Xiang-Guo, Meng; Hong-Yi, Fan; Ji-Suo, Wang
2018-04-01
This paper proposes a kind of displaced thermal states (DTS) and explores how this kind of optical field emerges using the entangled state representation. The results show that the DTS can be generated by a coherent state passing through a diffusion channel with the diffusion coefficient ϰ only when there exists κ t = (e^{\\hbar ν /kBT} - 1 )^{-1}. Also, its statistical properties, such as mean photon number, Wigner function and entropy, are investigated.
Transport and diffusion of material quantities on propagating interfaces via level set methods
Adalsteinsson, D
2003-01-01
We develop theory and numerical algorithms to apply level set methods to problems involving the transport and diffusion of material quantities in a level set framework. Level set methods are computational techniques for tracking moving interfaces; they work by embedding the propagating interface as the zero level set of a higher dimensional function, and then approximate the solution of the resulting initial value partial differential equation using upwind finite difference schemes. The traditional level set method works in the trace space of the evolving interface, and hence disregards any parameterization in the interface description. Consequently, material quantities on the interface which themselves are transported under the interface motion are not easily handled in this framework. We develop model equations and algorithmic techniques to extend the level set method to include these problems. We demonstrate the accuracy of our approach through a series of test examples and convergence studies.
Transport and diffusion of material quantities on propagating interfaces via level set methods
International Nuclear Information System (INIS)
Adalsteinsson, David; Sethian, J.A.
2003-01-01
We develop theory and numerical algorithms to apply level set methods to problems involving the transport and diffusion of material quantities in a level set framework. Level set methods are computational techniques for tracking moving interfaces; they work by embedding the propagating interface as the zero level set of a higher dimensional function, and then approximate the solution of the resulting initial value partial differential equation using upwind finite difference schemes. The traditional level set method works in the trace space of the evolving interface, and hence disregards any parameterization in the interface description. Consequently, material quantities on the interface which themselves are transported under the interface motion are not easily handled in this framework. We develop model equations and algorithmic techniques to extend the level set method to include these problems. We demonstrate the accuracy of our approach through a series of test examples and convergence studies
International Nuclear Information System (INIS)
Moraes, Pedro Gabriel B.; Leite, Michel C.A.; Barros, Ricardo C.
2013-01-01
In this work we developed a software to model and generate results in tables and graphs of one-dimensional neutron transport problems in multi-group formulation of energy. The numerical method we use to solve the problem of neutron diffusion is analytic, thus eliminating the truncation errors that appear in classical numerical methods, e.g., the method of finite differences. This numerical analytical method increases the computational efficiency, since they are not refined spatial discretization necessary because for any spatial discretization grids used, the numerical result generated for the same point of the domain remains unchanged unless the rounding errors of computational finite arithmetic. We chose to develop a computational application in MatLab platform for numerical computation and program interface is simple and easy with knobs. We consider important to model this neutron transport problem with a fixed source in the context of shielding calculations of radiation that protects the biosphere, and could be sensitive to ionizing radiation
Mass and Momentum Transport in Microcavities for Diffusion-Dominant Cell Culture Applications
Yew, Alvin G.; Pinero, Daniel; Hsieh, Adam H.; Atencia, Javier
2012-01-01
For the informed design of microfluidic devices, it is important to understand transport phenomena at the microscale. This letter outlines an analytically-driven approach to the design of rectangular microcavities extending perpendicular to a perfusion microchannel for microfluidic cell culture devices. We present equations to estimate the spatial transition from advection- to diffusion-dominant transport inside cavities as a function of the geometry and flow conditions. We also estimate the time required for molecules, such as nutrients or drugs to travel from the microchannel to a given depth into the cavity. These analytical predictions can facilitate the rational design of microfluidic devices to optimize and maintain long-term, physiologically-based culture conditions with low fluid shear stress.
Zhao, Hong-Bao
2014-01-01
Taking the standard size coal block samples defined by ISRM as research objects, both properties of methane diffusion of coal block under triaxial compressive stress and characteristic influences caused by methane pressure were systematically studied with thermo-fluid-solid coupling with triaxial servocontrolled seepage equipment of methane-containing coal. The result shows the methane diffusion property of coal block under triaxial compressive stress was shown in four-stage as follow, first is sharply reduce stage, second is hyperbolic reduce stage, third is close to a fixed value stage, fourth stage is 0. There is a special point making the reduced rate of characteristic curve of methane diffusion speed become sharply small; the influences of shape of methane diffusion speed characteristic curve caused by methane pressure are not obvious, which only is shown in numerical size of methane diffusion speed. Test time was extended required by appear of the special point makes the reduce rate of methane diffusion speed become sharply small. The fitting four-phase relation of methane diffusion of coal block under triaxial compressive stress was obtained, and the idea is proposed that influences of the fitting four-phase relation caused by methane pressure were only shown in value of fitting parameters. PMID:25531000
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
Simultaneous measurements of transport and poroelastic properties of rocks.
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.
Transport properties of different BSCCO wires
International Nuclear Information System (INIS)
Metra, P.; Gherardi, L.; Vellego, G.; Masini, R.; Zannella, S.
1990-01-01
This paper reports on two classes of solver sheathed BSCCO wires and laminates were prepared from 2223 (Pb substituted) and 2212 powders, respectively, by the powder in tube method. By suitable heat treatments (sintering and annealing below the melting temperature for 2223, melting + annealing for 2212), we obtained sample wires with Tc of ∼110 and ∼85 K respectively, comparable Jc at 77 K (∼10 3 A/cm 2 ), and dramatically different transport behavior. Measurements of critical current at different temperatures and as a function of applied magnetic field were carried out, to characterize the two classes of samples, together with other electrical testing (e.g. d.c. susceptibility) and structural analyses. The granular nature of the higher Tc BSCCO, qualitatively similar to the one of YBCO, was well documented. The melt-processed material showed no apparent granularity, but very strong field dependence of Jc at high temperature. The effect of mechanical deformation on Jc was also investigated by bending samples on different diameters before and after heat treatment. Wires and tapes with 2212 were found to be bendable on very small diameters before treatment, but also the 2223 filled samples were shown to accept significant deformation before sintering
Energy Technology Data Exchange (ETDEWEB)
Pinchedez, K
1999-06-01
Parallel computing meets the ever-increasing requirements for neutronic computer code speed and accuracy. In this work, two different approaches have been considered. We first parallelized the sequential algorithm used by the neutronics code CRONOS developed at the French Atomic Energy Commission. The algorithm computes the dominant eigenvalue associated with PN simplified transport equations by a mixed finite element method. Several parallel algorithms have been developed on distributed memory machines. The performances of the parallel algorithms have been studied experimentally by implementation on a T3D Cray and theoretically by complexity models. A comparison of various parallel algorithms has confirmed the chosen implementations. We next applied a domain sub-division technique to the two-group diffusion Eigen problem. In the modal synthesis-based method, the global spectrum is determined from the partial spectra associated with sub-domains. Then the Eigen problem is expanded on a family composed, on the one hand, from eigenfunctions associated with the sub-domains and, on the other hand, from functions corresponding to the contribution from the interface between the sub-domains. For a 2-D homogeneous core, this modal method has been validated and its accuracy has been measured. (author)
Mechanical and diffusion properties of refractory me--tal and alloy monocrystals
International Nuclear Information System (INIS)
Shinyaev, A.Ya.; Kopalejshvili, N.I.
1977-01-01
The temperature dependence of mechanical properties of single crystals Mo, W, Ta, Nb and of alloys Mo-Ta and Nb-Ta has been investigated from the point of view of diffusion processes. The curve of the dependence of the ultimate strength upon the temperature has shown four discontinuities corresponding to various stages of development of intercrystalline and volume diffusions. It is shown that for close-to-ideal solid solutions of Nb-Ta alloys the temperature dependence of the strength properties is the same as for pure metals. In case of appreciable deviations from ideal properties (system Mo-Ta), the drops in strength, due to volume diffusion, shift toward higher temperatures
Industrial Requirements for Thermodynamics and Transport Properties
DEFF Research Database (Denmark)
Hendriks, Eric; Kontogeorgis, Georgios; Dohrn, Ralf
2010-01-01
the direction for future development. The use of new methods, such as SAFT, is increasing, but they are not yet in position to replace traditional methods such as cubic equations of state (especially in oil and gas industry) and the UNIFAC group contribution approach. A common problem with novel methods is lack...... addressed to or written by industrial colleagues, are discussed initially. This provides the context of the survey and material with which the results of the survey can be compared. The results of the survey have been divided into the themes: data, models, systems, properties, education, and collaboration...... of standardization, reference data, and correct and transparent implementations, especially in commercially available simulation programs. The survey indicates a great variety of systems where further work is required. For instance, for electrolyte systems better models are needed, capable of describing all types...
Hu, Tao; Liu, Yinshang; Xiao, Hong; Mu, Gang; Yang, Yi-Feng
2017-08-25
The strongly correlated electron fluids in high temperature cuprate superconductors demonstrate an anomalous linear temperature (T) dependent resistivity behavior, which persists to a wide temperature range without exhibiting saturation. As cooling down, those electron fluids lose the resistivity and condense into the superfluid. However, the origin of the linear-T resistivity behavior and its relationship to the strongly correlated superconductivity remain a mystery. Here we report a universal relation [Formula: see text], which bridges the slope of the linear-T-dependent resistivity (dρ/dT) to the London penetration depth λ L at zero temperature among cuprate superconductor Bi 2 Sr 2 CaCu 2 O 8+δ and heavy fermion superconductors CeCoIn 5 , where μ 0 is vacuum permeability, k B is the Boltzmann constant and ħ is the reduced Planck constant. We extend this scaling relation to different systems and found that it holds for other cuprate, pnictide and heavy fermion superconductors as well, regardless of the significant differences in the strength of electronic correlations, transport directions, and doping levels. Our analysis suggests that the scaling relation in strongly correlated superconductors could be described as a hydrodynamic diffusive transport, with the diffusion coefficient (D) approaching the quantum limit D ~ ħ/m*, where m* is the quasi-particle effective mass.
International Nuclear Information System (INIS)
Brown, P.; Chang, B.
1998-01-01
The linear Boltzmann transport equation (BTE) is an integro-differential equation arising in deterministic models of neutral and charged particle transport. In slab (one-dimensional Cartesian) geometry and certain higher-dimensional cases, Diffusion Synthetic Acceleration (DSA) is known to be an effective algorithm for the iterative solution of the discretized BTE. Fourier and asymptotic analyses have been applied to various idealizations (e.g., problems on infinite domains with constant coefficients) to obtain sharp bounds on the convergence rate of DSA in such cases. While DSA has been shown to be a highly effective acceleration (or preconditioning) technique in one-dimensional problems, it has been observed to be less effective in higher dimensions. This is due in part to the expense of solving the related diffusion linear system. We investigate here the effectiveness of a parallel semicoarsening multigrid (SMG) solution approach to DSA preconditioning in several three dimensional problems. In particular, we consider the algorithmic and implementation scalability of a parallel SMG-DSA preconditioner on several types of test problems
Discontinuous diffusion synthetic acceleration for Sn transport on 2D arbitrary polygonal meshes
International Nuclear Information System (INIS)
Turcksin, Bruno; Ragusa, Jean C.
2014-01-01
In this paper, a Diffusion Synthetic Acceleration (DSA) technique applied to the S n radiation transport equation is developed using Piece-Wise Linear Discontinuous (PWLD) finite elements on arbitrary polygonal grids. The discretization of the DSA equations employs an Interior Penalty technique, as is classically done for the stabilization of the diffusion equation using discontinuous finite element approximations. The penalty method yields a system of linear equations that is Symmetric Positive Definite (SPD). Thus, solution techniques such as Preconditioned Conjugate Gradient (PCG) can be effectively employed. Algebraic MultiGrid (AMG) and Symmetric Gauss–Seidel (SGS) are employed as conjugate gradient preconditioners for the DSA system. AMG is shown to be significantly more efficient than SGS. Fourier analyses are carried out and we show that this discontinuous finite element DSA scheme is always stable and effective at reducing the spectral radius for iterative transport solves, even for grids with high-aspect ratio cells. Numerical results are presented for different grid types: quadrilateral, hexagonal, and polygonal grids as well as grids with local mesh adaptivity
Diffusive, Structural, Optical, and Electrical Properties of Defects in Semiconductors
Wagner, F E
2002-01-01
Electronic properties of semiconductors are extremely sensitive to defects and impurities that have localized electronic states with energy levels in the band gap of the semiconductor. Spectroscopic techniques like photoluminescence (PL), deep level transient spectroscopy (DLTS), or Hall effect, that are able to detect and characterize band gap states do not reveal direct information about their microscopic origin. To overcome this chemical "blindness", the present approach is to use radioactive isotopes as a tracer. Moreover, the recoil energies involved in $\\beta$ and $\\gamma$-decays can be used to create intrinsic isolated point defects (interstitials, vacancies) in a controlled way. A microscopic insight into the structure and the thermodynamic properties of complexes formed by interacting defects can be gained by detecting the hyperfine interaction between the nuclear moments of radioactive dopants and the electromagnetic fields present at the site of the radioactive nucleus. The understanding and the co...
Transport properties of supercooled confined water
International Nuclear Information System (INIS)
Mallamace, F.; Baglioni, P.; Corsaro, C.; Spooren, J.; Stanley, H.E.; Chen, S.-H.
2011-01-01
We present an overview of recent experiments performed on water in the deeply supercooled region, a temperature region of fundamental importance in the science of water. We examine data generated by nuclear magnetic resonance, quasi-elastic neutron scattering, Fourier-transform infrared spectroscopy, and Raman spectroscopy, and study water confined in nanometer-scale environments. When contained within small pores, water does not crystallize and can be supercooled well below its homogeneous nucleation temperature T H. On this basis, it is possible to carry out a careful analysis of the well-known thermodynamic anomalies of water. Studying the temperature and pressure dependencies of water dynamics, we show that the liquid-liquid phase transition (LLPT) hypothesis represents a reliable model for describing liquid water. In this model, liquid water is a mixture of two different local structures: a low density liquid (LDL) and a high-density liquid (HDL). The LLPT line terminates at a low-T liquid-liquid critical point. We discuss the following experimental findings: 1.) the crossover from non-Arrhenius behavior at high T to Arrhenius behavior at low T in transport parameters; 2.) the breakdown of the Stokes-Einstein relation; 3.) the existence of a Widom line, which is the locus of points corresponding to a maximum correlation length in the P-T phase diagram and which ends in the liquid-liquid critical point; 4.) the direct observation of the LDL phase; and 5.) the minimum in the density at approximately 70 K below the temperature of the density maximum. In our opinion these results strongly support the LLPT hypothesis. All of the basic science and technology community should be impressed by the fact that, although the few ideas (apparently elementary) developed concerning water approximately 27 centuries ago have changed very little up to now, because of the current expansion in our knowledge in this area, they can begin to change in the near future.
Interface and transport properties of GaN/graphene junction in GaN-based LEDs
International Nuclear Information System (INIS)
Wang Liancheng; Zhang Yiyun; Liu Zhiqiang; Guo Enqing; Yi Xiaoyan; Wang Junxi; Wang Guohong; Li Xiao; Zhu Hongwei
2012-01-01
A normalized circular transmission line method pattern with uniform interface area was developed to obtain contact resistances of p-, u-, n-GaN/graphene contacts (p, u and n represent p-type doped, unintentionally doped and n-type doped, respectively) and N-polar u-, n-GaN/graphene contacts in GaN-based LEDs. The resistances of the graphene/GaN contacts were mainly determined by the work function gap and the carrier concentration in GaN. Annealing caused diffusion of metal atoms and significantly influenced the interface transport properties.
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
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)
Prediction of transport and other physical properties of fluids
Bretsznajder, S
1971-01-01
Prediction of Transport and Other Physical Properties of Fluids reviews general methods for predicting the transport and other physical properties of fluids such as gases and liquids. Topics covered range from the theory of corresponding states and methods for estimating the surface tension of liquids to some basic concepts of the kinetic theory of gases. Methods of estimating liquid viscosity based on the principle of additivity are also described. This volume is comprised of eight chapters and opens by presenting basic information on gases and liquids as well as intermolecular forces and con
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
Modeling and simulation of spin-polarized transport at the kinetic and diffusive level
International Nuclear Information System (INIS)
Possanner, S.
2012-01-01
The aim of this thesis is to contribute to the understanding of spin-induced phenomena in electron motion. These phenomena arise when electrons move through a (partially) magnetic environment, in such a way that its magnetic moment (spin) may interact with the surroundings. The pure quantum nature of the spin requires transport models that deal with effects like quantum coherence, entanglement (correlation) and quantum dissipation. On the meso- and macroscopic level it is not yet clear under which circumstances these quantum effects may transpire. The purpose of this work is, on the one hand, to derive novel spin transport models from basic principles and, on the other hand, to develop numerical algorithms that allow for a solution of these new and other existing model equations. The thesis consists of four parts. The first part comprises an overview of fundamental spin-related concepts in electronic transport such as the giant-magneto-resistance (GMR) effect, the spin-transfer torque in metallic magnetic multilayers and the matrix-character of transport equations that take spin-coherent electron states into account. In particular, we consider the diffusive Zhang-Levy-Fert (ZLF) model, an exchange-torque model that consists of the Landau-Lifshitz equation and a heuristic matrix spin-diffusion equation. A finite difference scheme based on Strang operator splitting is developed that enables a numerical, self-consistent solution of this non-linear system within multilayer structures. Finally, the model is tested by comparison of numerical results to recent experimental data. In part two we propose a matrix-Boltzmann equation that allows for the description of spin-coherent electron transport on a kinetic level. The novelty here is a linear collision operator in which the transition rates from momentum k to momentum k' are modeled by a 2x2 Hermitian matrix; hence the mean-free paths of spin-up and spin-down electrons are represented by the eigenvalues of this
Transport properties of diazonium functionalized graphene: chiral two-dimensional hole gases
International Nuclear Information System (INIS)
Huang Ping; Jing Long; Zhu Huarui; Gao Xueyun
2012-01-01
The electric transport properties of diazonium functionalized graphene (DFG) were investigated. The temperature dependence of the resistivity (ρ-T) and the Shubnikov-de Haas oscillation of the DFG revealed two-dimensional hole gas (2DHG) behaviors. The DFGs exhibited unusual weak localization behaviors in which both inelastic and chirality-breaking elastic scattering processes should be taken into account, meaning that graphene chirality was maintained. Because of the giant decrease in the diffusion coefficient, the scattering rates remained relatively low in the presence of suppression of the scattering lengths. The decreases of both the mean free path and the Fermi velocity were responsible for the suppression of the diffusion coefficient and hence the charge mobility. (paper)
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
International Nuclear Information System (INIS)
Widestrand, Henrik; Byegaard, Johan; Ohlsson, Yvonne; Tullborg, Eva-Lena
2003-06-01
This report comprises a strategy for the handling of laboratory investigations of diffusivity and sorption characteristics within the discipline-specific programme 'Transport Properties of the Rock' in the SKB site investigations. The aim of the transport programme is to investigate the solute transport properties at a site in order to acquire data that are required for an assessment of the long-term performance and radiological safety of the deep repository. The result of the transport programme is the Transport Properties Site Descriptive Model, i.e. a description of the site-specific properties for the transport of solutes in the groundwater at a site. A strategy for the methodology, control of sampling and characterisation programme and interpretation of the results, is proposed. The basis for the laboratory investigations is a conceptual geological model based on the geological model produced in the geology programme. Major and minor types of rock and fractures are defined and characterised according to the quality of the general database and site-specific needs. The selection of samples and analyses is determined in close co-operation with the geology, hydrogeology, hydrogeochemistry and rock mechanics programmes. The result of the laboratory investigations is a retardation model, which is used as an input in the Transport Properties Site Descriptive Model. The interpretation and production of a retardation model is described and exemplified. Lastly, method-specific strategies and recommendations are given, including strategies for the selection of tracers in the experiments and for the treatment of the sampled geologic materials
Jinuntuya, Fontip; Whiteley, Michael; Chen, Rui; Fly, Ashley
2018-02-01
The Gas Diffusion Layer (GDL) of a Polymer Electrolyte Membrane Fuel Cell (PEMFC) plays a crucial role in overall cell performance. It is responsible for the dissemination of reactant gasses from the gas supply channels to the reactant sites at the Catalyst Layer (CL), and the adequate removal of product water from reactant sites back to the gas channels. Existing research into water transport in GDLs has been simplified to 2D estimations of GDL structures or use virtual stochastic models. This work uses X-ray computed tomography (XCT) to reconstruct three types of GDL in a model. These models are then analysed via Lattice Boltzmann methods to understand the water transport behaviours under differing contact angles and pressure differences. In this study, the three GDL samples were tested over the contact angles of 60°, 80°, 90°, 100°, 120° and 140° under applied pressure differences of 5 kPa, 10 kPa and 15 kPa. By varying the contact angle and pressure difference, it was found that the transition between stable displacement and capillary fingering is not a gradual process. Hydrophilic contact angles in the region of 60°<θ < 90° showed stable displacement properties, whereas contact angles in the region of 100°<θ < 140° displayed capillary fingering characteristics.
International Nuclear Information System (INIS)
Bock, Claudia; Weingart, Sonja; Karaissaridis, Epaminondas; Kunze, Ulrich; Speck, Florian; Seyller, Thomas
2012-01-01
In this paper we investigate the influence of material and device properties on the ballistic transport in epitaxial monolayer graphene and epitaxial quasi-free-standing monolayer graphene. Our studies comprise (a) magneto-transport in two-dimensional (2D) Hall bars, (b) temperature- and magnetic-field-dependent bend resistance of unaligned and step-edge-aligned orthogonal cross junctions, and (c) the influence of the lead width of the cross junctions on ballistic transport. We found that ballistic transport is highly sensitive to scattering at the step edges of the silicon carbide substrate. A suppression of the ballistic transport is observed if the lead width of the cross junction is reduced from 50 nm to 30 nm. In a 50 nm wide device prepared on quasi-free-standing graphene we observe a gradual transition from the ballistic into the diffusive transport regime if the temperature is increased from 4.2 to about 50 K, although 2D Hall bars show a temperature-independent mobility. Thus, in 1D devices additional temperature-dependent scattering mechanisms play a pivotal role. (paper)
Ma, Hao; Tian, Zhiting
2018-01-10
Tapered bottlebrush polymers have novel nanoscale polymer architecture. Using nonequilibrium molecular dynamics simulations, we showed that these polymers have the unique ability to generate thermal rectification in a single polymer molecule and offer an exceptional platform for unveiling different heat conduction regimes. In sharp contrast to all other reported asymmetric nanostructures, we observed that the heat current from the wide end to the narrow end (the forward direction) in tapered bottlebrush polymers is smaller than that in the opposite direction (the backward direction). We found that a more disordered to less disordered structural transition within tapered bottlebrush polymers is essential for generating nonlinearity in heat conduction for thermal rectification. Moreover, the thermal rectification ratio increased with device length, reaching as high as ∼70% with a device length of 28.5 nm. This large thermal rectification with strong length dependence uncovered an unprecedented phenomenon-diffusive thermal transport in the forward direction and ballistic thermal transport in the backward direction. This is the first observation of radically different transport mechanisms when heat flow direction changes in the same system. The fundamentally new knowledge gained from this study can guide exciting research into nanoscale organic thermal diodes.
Electrical Transport Properties of Polycrystalline Monolayer Molybdenum Disulfide
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
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.
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
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
Thermophysical properties and oxygen transport in (Thx,Pu1−x)O2
Galvin, C. O. T.; Cooper, M. W. D.; Rushton, M. J. D.; Grimes, R. W.
2016-01-01
Using Molecular Dynamics, this paper investigates the thermophysical properties and oxygen transport of (Thx,Pu1−x)O2 (0 ≤ x ≤ 1) between 300–3500 K. In particular, the superionic transition is investigated and viewed via the thermal dependence of lattice parameter, linear thermal expansion coefficient, enthalpy and specific heat at constant pressure. Oxygen diffusivity and activation enthalpy are also investigated. Below the superionic temperature an increase of oxygen diffusivity for certain compositions of (Thx,Pu1−x)O2 compared to the pure end members is predicted. Oxygen defect formation enthalpies are also examined, as they underpin the superionic transition temperature and the increase in oxygen diffusivity. The increase in oxygen diffusivity for (Thx,Pu1−x)O2 is explained in terms of lower oxygen defect formation enthalpies for (Thx,Pu1−x)O2 than PuO2 and ThO2, while links are drawn between the superionic transition temperature and oxygen Frenkel disorder. PMID:27796314
Thermophysical properties and oxygen transport in (Thx,Pu1-x)O2.
Galvin, C O T; Cooper, M W D; Rushton, M J D; Grimes, R W
2016-10-31
Using Molecular Dynamics, this paper investigates the thermophysical properties and oxygen transport of (Th x ,Pu 1-x )O 2 (0 ≤ x ≤ 1) between 300-3500 K. In particular, the superionic transition is investigated and viewed via the thermal dependence of lattice parameter, linear thermal expansion coefficient, enthalpy and specific heat at constant pressure. Oxygen diffusivity and activation enthalpy are also investigated. Below the superionic temperature an increase of oxygen diffusivity for certain compositions of (Th x ,Pu 1-x )O 2 compared to the pure end members is predicted. Oxygen defect formation enthalpies are also examined, as they underpin the superionic transition temperature and the increase in oxygen diffusivity. The increase in oxygen diffusivity for (Th x ,Pu 1-x )O 2 is explained in terms of lower oxygen defect formation enthalpies for (Th x ,Pu 1-x )O 2 than PuO 2 and ThO 2 , while links are drawn between the superionic transition temperature and oxygen Frenkel disorder.
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.
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
Directory of Open Access Journals (Sweden)
Virginia Romero
2014-08-01
Full Text Available Diffusive transport through nanoporous alumina membranes (NPAMs produced by the two-step anodization method, with similar pore size but different porosity, is studied by analyzing membrane potential measured with NaCl solutions at different concentrations. Donnan exclusion of co-ions at the solution/membrane interface seem to exert a certain control on the diffusive transport of ions through NPAMs with low porosity, which might be reduced by coating the membrane surface with appropriated materials, as it is the case of SiO2. Our results also show the effect of concentration polarization at the membrane surface on ionic transport numbers (or diffusion coefficients for low-porosity and high electrolyte affinity membranes, which could mask values of those characteristic electrochemical parameters.
Multifractal properties of diffusion-limited aggregates and random multiplicative processes
International Nuclear Information System (INIS)
Canessa, E.
1991-04-01
We consider the multifractal properties of irreversible diffusion-limited aggregation (DLA) from the point of view of the self-similarity of fluctuations in random multiplicative processes. In particular we analyse the breakdown of multifractal behaviour and phase transition associated with the negative moments of the growth probabilities in DLA. (author). 20 refs, 5 figs
Excluded-volume effects in the diffusion of hard spheres
Bruna, Maria; Chapman, S. Jonathan
2012-01-01
Excluded-volume effects can play an important role in determining transport properties in diffusion of particles. Here, the diffusion of finite-sized hard-core interacting particles in two or three dimensions is considered systematically using
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.
Fundamental investigation of the transport properties of superacids in aqueous and non-aqueous media
Suarez, Sophia
In the quest to develop more efficient energy providers one of the main focus of research has been on the improvement of ion transport. In lithium battery research this has led to the incorporation of various lithium salts, ceramics and plasticizers into the poly(ethylene)oxide (PEO) matrix, the polymer most used In Proton Conduction Membrane (PCM) fuel cell research this has led to the development of new membranes, which are designed with to replicate Nafion's ((c)DuPont) proton transport but also improve upon its deficiency of transporting intact fuel molecules and its dependence upon the presence of solvating water molecules. To better understand the process of ion transport, NMR was used to investigate dynamic properties such as D (self-diffusion coefficient) and T1 (spin-lattice relaxation time) of various proton and lithium ion-conducting systems. Ionic conductivity and viscosity measurements were also performed. The systems studied includes aqueous superacid solutions (trifluoromethanesulfonic (TFSA), para-toluenesulfonic (PTSA) and bis(trifluoromethanesulfonyl)imide (TFSI)); nano-porous (NP-) PCM's incorporating various ceramics and 3M fuel/2M H2SO4 solutions; and P(EO)20LiBETI (LiN(SO 2CF2CF3)2 composite incorporating SiO 2 ceramic nano particles. The objective of the study of the superacid solutions was to determine the effect of concentration on the transport. It was found that beyond the ionic conductivity maximum, fluctuations in both D and T1 supports the existence of local ordering in the ionic network, caused by the reduced solvent dielectric coefficient and increasing viscosity. Of the three superacids TFSA was the most conductive and most affected by reduced solvent concentration. For the P(EO)20LiBETI composite the aim was to determine the effect of the ceramic on the ion transport of the composite in a solvent free environment. Results show that the ceramic causes only modest increase in the lithium transport below 90°C. The objective in the
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
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.
Transport tensors in perfectly aligned low-density fluids: Self-diffusion and thermal conductivity
International Nuclear Information System (INIS)
Singh, G. S.; Kumar, B.
2001-01-01
The modified Taxman equation for the kinetic theory of low-density fluids composed of rigid aspherical molecules possessing internal degrees of freedom is generalized to obtain the transport tensors in a fluid of aligned molecules. The theory takes care of the shape of the particles exactly but the solution has been obtained only for the case of perfectly aligned hard spheroids within the framework of the first Sonine polynomial approximation. The expressions for the thermal-conductivity components have been obtained for the first time whereas the self-diffusion components obtained here turn out to be exactly the same as those derived by Kumar and Masters [Mol. Phys. >81, 491 (1994)] through the solution of the Lorentz-Boltzmann equation. All our expressions yield correct results in the hard-sphere limit
International Nuclear Information System (INIS)
Honeck, H.C.
1984-01-01
1 - Description of problem or function: HAMMER performs infinite lattice, one-dimensional cell multigroup calculations, followed (optionally) by one-dimensional, few-group, multi-region reactor calculations with neutron balance edits. 2 - Method of solution: Infinite lattice parameters are calculated by means of multigroup transport theory, composite reactor parameters by few-group diffusion theory. 3 - Restrictions on the complexity of the problem: - Cell calculations - maxima of: 30 thermal groups; 54 epithermal groups; 20 space points; 20 regions; 18 isotopes; 10 mixtures; 3 thermal up-scattering mixtures; 200 resonances per group; no overlap or interference; single level only. - Reactor calculations - maxima of : 40 regions; 40 mixtures; 250 space points; 4 groups
Properties of internal transport barrier formation in JT-60U
International Nuclear Information System (INIS)
Sakamoto, Yoshiteru; Suzuki, T.; Ide, S.
2003-01-01
The dependence of the ion thermal diffusivity (χ i ) on the radial electric field (E r ) shear has been investigated in JT-60U plasmas. In positive magnetic shear (PS) plasmas, χ i in the core region generally increases with the heating power, similar to the L mode at low heating power. However, as a result of the intensive central heating, which is relevant to the enhancement of the E γ shear, a weak internal transport barrier (ITB) is formed, and χ i in the core region starts to decrease. Corresponding to a further increase of the heating power, a strong ITB is formed and χ i is reduced substantially. In the case of reversed magnetic shear (RS) plasmas, on the other hand, no power degradation of χ i is observed in any of heating regimes. The electron thermal diffusivity (χ e ) is strongly correlated with χ i in PS and RS plasmas. There exists a threshold in the effective E γ shear to change the state from a weak to a strong ITB. It is found that the threshold of the effective E γ shear in the case of a PS plasma depends on the poloidal magnetic field at the ITB. There are multiple levels of reduced transport in the strong ITB for RS plasmas. (author)
Properties of internal transport barrier formation in JT-60U
International Nuclear Information System (INIS)
Sakamoto, Y.; Suzuki, T.; Ide, S.
2003-01-01
The dependence of the ion thermal diffusivity (χ i ) on the radial electric field (E r ) shear has been investigated in JT-60U plasmas. In positive magnetic shear (PS) plasmas, χ i in the core region generally increases with the heating power, similar to the L mode at low heating power. However, as a result of the intensive central heating, which is relevant to the enhancement of the E r shear, a weak internal transport barrier (ITB) is formed, and χ i in the core region starts to decrease. Corresponding to a further increase of the heating power, a strong ITB is formed and χ i is reduced substantially. In the case of reversed magnetic shear (RS) plasmas, on the other hand, no power degradation of χ i is observed in any of the heating regimes. The electron thermal diffusivity (χ e ) is strongly correlated with χ i in PS and RS plasmas. There exists a threshold in the effective E r shear to change the state from a weak to a strong ITB. It is found that the threshold of the effective E r shear in the case of a PS plasma depends on the poloidal magnetic field at the ITB. There are multiple levels of reduced transport in the strong ITB for RS plasmas. (author)
Energy Technology Data Exchange (ETDEWEB)
Xu, Z., E-mail: zhanjie.xu@kit.ed [Forschungszentrum Karlsruhe, P.O. Box 3640, 76021 Karlsruhe (Germany); Travis, J.R. [Ingenieurbuero DuBois-Pitzer-Travis, 63071 Offenbach (Germany); Breitung, W.; Jordan, T. [Forschungszentrum Karlsruhe, P.O. Box 3640, 76021 Karlsruhe (Germany)
2010-12-15
Potentially explosive dust aerosol mobilization in the vacuum vessel is an important safety issue of the ITER facility, especially in scenarios of loss of vacuum accidents. Therefore dust mobilization modeling is ongoing in Research Center Karlsuhe. At first the aerosol particle model in the GASFLOW computer code is introduced briefly. To verify the particle model, a series of particle diffusion problems are simulated in one-, two- and three-dimensions. In each problem a particle source is initially exposed to an advective gas flow. Then a dust cloud is formed in the down stream. To obtain the theoretical solution about the particle concentration in the dust cloud, the governing diffusion partial differential equations with an additional advection term are solved by using Green's function method. Different spatial and temporal characters about the particle sources are also considered, e.g., instantaneous or continuous sources, line, or volume sources and so forth. The GASFLOW simulation results about the particle concentrations and the corresponding Green's function solutions are compared case by case. Very good agreements are found between the theoretical solutions and the GASGLOW simulations, when the drag force between the micron-sized particles and the conveying gas flow meets the Stokes' law about resistance. This situation is corresponding to a very small Reynolds number based on the particle diameter, with a negligible inertia effect of the particles. This verification work shows that the particle model of the GASFLOW code can reproduce numerically particle transport and diffusion in a good way.
Waldrop, Jonathan M; Song, Bo; Patkowski, Konrad; Wang, Xiaopo
2015-05-28
A new highly accurate potential energy curve for the krypton dimer was constructed using coupled-cluster calculations up to the singles, doubles, triples, and perturbative quadruples level, including corrections for core-core and core-valence correlation and for relativistic effects. The ab initio data points were fitted to an analytic potential which was used to compute the most important transport properties of the krypton gas. The viscosity, thermal conductivity, self-diffusion coefficient, and thermal diffusion factor were calculated by the kinetic theory at low density and temperatures from 116 to 5000 K. The comparisons with literature experimental data as well as with values from other pair potentials indicate that our new potential is superior to all previous ones. The transport property values computed in this work are recommended as standard values over the complete temperature range.
Wu, M; Li, J; Ludwig, A; Kharicha, A
2014-09-01
Part 1 of this two-part investigation presented a multiphase solidification model incorporating the finite diffusion kinetics and ternary phase diagram with the macroscopic transport phenomena (Wu et al., 2013). In Part 2, the importance of proper treatment of the finite diffusion kinetics in the calculation of macrosegregation is addressed. Calculations for a two-dimensional (2D) square casting (50 × 50 mm 2 ) of Fe-0.45 wt.%C-1.06 wt.%Mn considering thermo-solutal convection and crystal sedimentation are performed. The modeling result indicates that the infinite liquid mixing kinetics as assumed by classical models (e.g., the Gulliver-Scheil or lever rule), which cannot properly consider the solute enrichment of the interdendritic or inter-granular melt at the early stage of solidification, might lead to an erroneous estimation of the macrosegregation. To confirm this statement, further theoretical and experimental evaluations are desired. The pattern and intensity of the flow and crystal sedimentation are dependent on the crystal morphologies (columnar or equiaxed); hence, the potential error of the calculated macrosegregation caused by the assumed growth kinetics depends on the crystal morphology. Finally, an illustrative simulation of an engineering 2.45-ton steel ingot is performed, and the results are compared with experimental results. This example demonstrates the model applicability for engineering castings regarding both the calculation efficiency and functionality.
International Nuclear Information System (INIS)
Sheng, Chan Kok; Mahmood Mat Yunus, W.; Yunus, Wan Md. Zin Wan; Abidin Talib, Zainal; Kassim, Anuar
2008-01-01
In this work, the porous silicon layer was prepared by the electrochemical anodization etching process on n-type and p-type silicon wafers. The formation of the porous layer has been identified by photoluminescence and SEM measurements. The optical absorption, energy gap, carrier transport and thermal properties of n-type and p-type porous silicon layers were investigated by analyzing the experimental data from photoacoustic measurements. The values of thermal diffusivity, energy gap and carrier transport properties have been found to be porosity-dependent. The energy band gap of n-type and p-type porous silicon layers was higher than the energy band gap obtained for silicon substrate (1.11 eV). In the range of porosity (50-76%) of the studies, our results found that the optical band-gap energy of p-type porous silicon (1.80-2.00 eV) was higher than that of the n-type porous silicon layer (1.70-1.86 eV). The thermal diffusivity value of the n-type porous layer was found to be higher than that of the p-type and both were observed to increase linearly with increasing layer porosity
The diffusion properties of ion implanted species in selected target materials
International Nuclear Information System (INIS)
Alton, G.D.; Dellwo, J.; Carter, H.K.; Kormicki, J.; Bartolo, G. di; Batchelder, J.C.; Breitenbach, J.; Chediak, J.A.; Jentoff-Nilsen, K.; Ichikawa, S.
1995-01-01
Experiments important to the future success of the Holifield Radioactive Ion Beam Facility (HRIBF) are in progress at the Oak Ridge National Laboratory which are designed to select the most appropriate target material for generating a particular radioactive ion beam (RIB). The 25-MV HHIRF tandem accelerator is used to implant stable complements of interesting radioactive elements into refractory targets mounted in a high-temperature FEBIAD ion source which is open-quotes on-lineclose quotes at the UNISOR facility. The intensity versus time of implanted species, which diffuse from the high-temperature target material (∼1700 degrees C) and are ionized in the FEBIAD ion source, is used to determine release times for a particular projectile/target material combination. From such release data, diffusion coefficients can be derived by fitting the theoretical results obtained by computational solution of Fick's second equation to experimental data. The diffusion coefficient can be used subsequently to predict the release properties of the particular element from the same material in other target geometries and at other temperatures, provided that the activation energy is also known. Diffusion coefficients for Cl implanted into and diffused from CeS and Zr 5 Si 3 and As, Br, and Se implanted into and diffused from Zr 5 Ge 3 have been derived from the resulting intensity versus time profiles. Brief descriptions of the experimental apparatus and procedures utilized in the present experiments and plans for future related experiments are presented
Shahari, N.; Jamil, N.; Rasmani, K. A.; Nursabrina
2015-09-01
In recent years, many dried fruit products have been developed in response to a strong demand by the customer. This type of fruit has a different composition and hence different moisture diffusivity (D). During drying, Fick's Law of diffusion, which describes the movement of liquid water was used to calculate this diffusivity. However diffusivity has strong effects on the material drying characteristics and these must be determined. In this paper, Fick's Law of diffusion with different kinds of boundary conditions was solve using separation of variable (SOV). In order to get the value of D, results obtained using SOV will be compared with the results from the drying of belimbi at temperature of 40°C, 50°C and 60°C. Although the results show that variation in the values of diffusivity for different temperatures is relatively small, but the variation in the total time required for drying is significantly bigger: between 3-7 hours. Its shown that diffusivity is an important measurement and should be considered in the modeling of the drying process. The chemical properties of belimbi slices in terms of vitamin C, total ash and antioxidant activity with different air temperatures and pretreatment were also investigated. Higher drying temperatures gives less drying time, a lower vitamin C and antioxidant activity but a greater total of ash, whilst pre-treatment can increased vitamin C and antioxidant activity. The results show that pre-treatment and the drying temperature are important variables to improve mass and heat transfer, as well as the belimbi chemical properties.
Proton transport properties in zwitterion blends with Brønsted acids.
Yoshizawa-Fujita, Masahiro; Byrne, Nolene; Forsyth, Maria; MacFarlane, Douglas R; Ohno, Hiroyuki
2010-12-16
We describe zwitterion, 3-(1-butyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate (Bimps), mixtures with 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfoneamide (HN(Tf)(2)) as new proton transport electrolytes. We report proton transport mechanisms in the mixtures based on results from several methods including thermal analyses, the complex-impedance method, and the pulsed field gradient spin echo NMR (pfg-NMR) method. The glass transition temperature (Tg) of the mixtures decreased with increasing HN(Tf)(2) concentration up to 50 mol %. The Tg remained constant at -55 °C with further acid doping. The ionic conductivity of HN(Tf)(2) mixtures increased with the HN(Tf)(2) content up to 50 mol %. Beyond that ratio, the mixtures showed no increase in ionic conductivity (10(-4) S cm(-1) at room temperature). This tendency agrees well with that of Tg. However, the self-diffusion coefficients obtained from the pfg-NMR method increased with HN(Tf)(2) content even above 50 mol % for all component ions. At HN(Tf)(2) 50 mol %, the proton diffusion of HN(Tf)(2) was the fastest in the mixture. These results suggest that Bimps cannot dissociate excess HN(Tf)(2), that is, the excess HN(Tf)(2) exists as molecular HN(Tf)(2) in the mixtures. The zwitterion, Bimps, forms a 1:1 complex with HN(Tf)(2) and the proton transport property in this mixture is superior to those of other mixing ratios. Furthermore, CH(3)SO(3)H and CF(3)SO(3)H were mixed with Bimps for comparison. Both systems showed a similar tendency, which differed from that of the HN(Tf)(2) system. The Tg decreased linearly with increasing acid content for every mixing ratio, while the ionic conductivity increased linearly. Proton transport properties in zwitterion/acid mixtures were strongly affected by the acid species added.
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.
Hofmeister, A.
2010-12-01
Many measurements and models of heat transport in lower mantle candidate phases contain systematic errors: (1) conventional methods of insulators involve thermal losses that are pressure (P) and temperature (T) dependent due to physical contact with metal thermocouples, (2) measurements frequently contain unwanted ballistic radiative transfer which hugely increases with T, (3) spectroscopic measurements of dense samples in diamond anvil cells involve strong refraction by which has not been accounted for in analyzing transmission data, (4) the role of grain boundary scattering in impeding heat and light transfer has largely been overlooked, and (5) essentially harmonic physical properties have been used to predict anharmonic behavior. Improving our understanding of the physics of heat transport requires accurate data, especially as a function of temperature, where anharmonicity is the key factor. My laboratory provides thermal diffusivity (D) at T from laser flash analysis, which lacks the above experimental errors. Measuring a plethora of chemical compositions in diverse dense structures (most recently, perovskites, B1, B2, and glasses) as a function of temperature provides a firm basis for understanding microscopic behavior. Given accurate measurements for all quantities: (1) D is inversely proportional to [T x alpha(T)] from ~0 K to melting, where alpha is thermal expansivity, and (2) the damped harmonic oscillator model matches measured D(T), using only two parameters (average infrared dielectric peak width and compressional velocity), both acquired at temperature. These discoveries pertain to the anharmonic aspects of heat transport. I have previously discussed the easily understood quasi-harmonic pressure dependence of D. Universal behavior makes application to the Earth straightforward: due to the stiffness and slow motions of the plates and interior, and present-day, slow planetary cooling rates, Earth can be approximated as being in quasi
Transport properties of electrons in fractal magnetic-barrier structures
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.
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.
Laminar oxy-fuel diffusion flame supported by an oxygen-permeable-ion-transport membrane
Hong, Jongsup
2013-03-01
A numerical model with detailed gas-phase chemistry and transport was used to predict homogeneous fuel conversion processes and to capture the important features (e.g., the location, temperature, thickness and structure of a flame) of laminar oxy-fuel diffusion flames stabilized on the sweep side of an oxygen permeable ion transport membrane (ITM). We assume that the membrane surface is not catalytic to hydrocarbon or syngas oxidation. It has been demonstrated that an ITM can be used for hydrocarbon conversion with enhanced reaction selectivity such as oxy-fuel combustion for carbon capture technologies and syngas production. Within an ITM unit, the oxidizer flow rate, i.e., the oxygen permeation flux, is not a pre-determined quantity, since it depends on the oxygen partial pressures on the feed and sweep sides and the membrane temperature. Instead, it is influenced by the oxidation reactions that are also dependent on the oxygen permeation rate, the initial conditions of the sweep gas, i.e., the fuel concentration, flow rate and temperature, and the diluent. In oxy-fuel combustion applications, the sweep side is fuel-diluted with CO2, and the entire unit is preheated to achieve a high oxygen permeation flux. This study focuses on the flame structure under these conditions and specifically on the chemical effect of CO2 dilution. Results show that, when the fuel diluent is CO2, a diffusion flame with a lower temperature and a larger thickness is established in the vicinity of the membrane, in comparison with the case in which N2 is used as a diluent. Enhanced OH-driven reactions and suppressed H radical chemistry result in the formation of products with larger CO and H2O and smaller H2 concentrations. Moreover, radical concentrations are reduced due to the high CO2 fraction in the sweep gas. CO2 dilution reduces CH3 formation and slows down the formation of soot precursors, C2H2 and C2H4. The flame location impacts the species diffusion and heat transfer from the
Anisotropic bias dependent transport property of defective phosphorene layer
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
Diffusive-to-ballistic transition of the modulated heat transport in a rarefied air chamber
Directory of Open Access Journals (Sweden)
C. L. Gomez-Heredia
2017-01-01
Full Text Available Modulated heat transfer in air subject to pressures from 760 Torr to 10-4 Torr is experimentally studied by means of a thermal-wave resonant cavity placed in a vacuum chamber. This is done through the analysis of the amplitude and phase delay of the photothermal signal as a function of the cavity length and pressure through of the Knudsen’s number. The viscous, transitional, and free molecular regimes of heat transport are observed for pressures P>1.5 Torr, 25 mTorr
diffusive and ballistic heat transport.
Data processing in studies of diffusion for seawage disposal and of sediment transportation
International Nuclear Information System (INIS)
Szulak, C.; Agudo, E.G.
1974-01-01
The radiotracer applications on diffusion studies for sewage disposal in sea waters, as well as some large scale experiments on sediments transportation, are characterized by the bulky amount data obtained in the field. Data processing and plotting is a very time consuming task if they are to be handled manually, as may occurs in small research institutes. In order to overcome this difficulty, a program suitable for a 9810-A, Model Hewlett Packard calculator with plotter, was been developed. Through this program the following sequence of operations is performed: 1 - Background and decay corrections on activity measurements; 2 - conversion of angular position data taken with sextants, to rectangular coordinates; 3 - Position corrections as a function of the mean transport velocity of the radioactive cloud; 4 - Interpolation and plotting for each cloud section; of the points belonging ro preselected values of isoactivity curves; 5 - Interpolation and plotting between maximum activity points from two consecutive trajectories of the points belonging to preselected isoactivity curves. As a result of each data processing and plotting, a definition of shape of the radioactive, as well as the instantaneous concentration distribution are obtained. Interpolating a curve through the points with same activity, the preselected isoactivity lines are easily drawn [pt
International Nuclear Information System (INIS)
Igna Junior, A.D.
1984-01-01
The relevant parameters of two steady-state models of a plasma column, in fusion regime, were analyzed for an ideal Tokamak. The neo-classical transport theory was considered in the banana regime and in the Pfirsch-Schlueter regime. The first model proposes a correction in the numerical coefficients of the transport equations. In the other one, a poloidal current from Pfirsch-Schlueter classical diffusion is considered aiming to satisfy the pressure balance. (M.C.K.) [pt
Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations
Eskandari Nasrabad, A.; Laghaei, R.
2018-04-01
Computer simulations and various theories are applied to compute the thermodynamic and transport properties of nitrogen fluid. To model the nitrogen interaction, an existing potential in the literature is modified to obtain a close agreement between the simulation results and experimental data for the orthobaric densities. We use the Generic van der Waals theory to calculate the mean free volume and apply the results within the modified Cohen-Turnbull relation to obtain the self-diffusion coefficient. Compared to experimental data, excellent results are obtained via computer simulations for the orthobaric densities, the vapor pressure, the equation of state, and the shear viscosity. We analyze the results of the theory and computer simulations for the various thermophysical properties.
Diffusive transport processes in microgravity: the DCMIX project and the path to DCMIX-3
Triller, Thomas; Köhler, Werner
2016-07-01
Thermodiffusion describes the demixing of a system under the influence of an external temperature gradient which drives diffusive mass fluxes. Over the years, several (ground based) optical techniques have been employed for measuring thermodiffusion: Thermal Diffusion Forced Rayleigh Scattering (TDFRS), Optical Digital Interferometry (ODI) or Optical Beam Deflection (OBD). Most of these experiments use the same mechanism for the detection of demixing: light passes through a thermodiffusion cell, in which a well defined temperature gradient is applied on the sample. Diffusive fluxes change the concentration profile across the cell, and therefore the refractive index profile. This refractive index change is detected and mapped to the concentration using proper optical contrast factors. In particular ternary and higher multicomponent systems can suffer from thermosolutal convective instabilities. Therefore, the DCMIX project, a collaboration between several international research teams, ESA and Roscosmos, spearheads a measurement campaign on the ISS, utilizing SODI (Selectable Optical Diagnostics Instrument), a Mach-Zehnder interferometer inside the Microgravity Science Glovebox. Several ternary mixtures have been selected for measurement, all exhibiting unique properties. DCMIX-1 consisted of tetralin/isobutylbenzene/dodecane, a good model for hydrocarbon mixtures. DCMIX-2 was the system toluene/methanol/cyclohexane, which has a miscibility gap and allows to study critical behavior. DCMIX-3 is planned for the end of 2016 and will be an aqueous mixture of water/ethanol/triethylene-glycol. After a setback in 2014, when DCMIX-3 samples were lost with the explosion of the unmanned Orb3 vehicle, the project is now underway and will be ready for analysis at the beginning of 2017. As preparation for this, the methodology developed for data analysis has been applied to the DCMIX-1 data, especially aiming for the identification of stable quantities, which allow utilization of
Energy Technology Data Exchange (ETDEWEB)
Duerigen, Susan
2013-05-15
The superior advantage of a nodal method for reactor cores with hexagonal fuel assemblies discretized as cells consisting of equilateral triangles is its mesh refinement capability. In this thesis, a diffusion and a simplified P{sub 3} (or SP{sub 3}) neutron transport nodal method are developed based on trigonal geometry. Both models are implemented in the reactor dynamics code DYN3D. As yet, no other well-established nodal core analysis code comprises an SP{sub 3} transport theory model based on trigonal meshes. The development of two methods based on different neutron transport approximations but using identical underlying spatial trigonal discretization allows a profound comparative analysis of both methods with regard to their mathematical derivations, nodal expansion approaches, solution procedures, and their physical performance. The developed nodal approaches can be regarded as a hybrid NEM/AFEN form. They are based on the transverse-integration procedure, which renders them computationally efficient, and they use a combination of polynomial and exponential functions to represent the neutron flux moments of the SP{sub 3} and diffusion equations, which guarantees high accuracy. The SP{sub 3} equations are derived in within-group form thus being of diffusion type. On this basis, the conventional diffusion solver structure can be retained also for the solution of the SP{sub 3} transport problem. The verification analysis provides proof of the methodological reliability of both trigonal DYN3D models. By means of diverse hexagonal academic benchmark and realistic detailed-geometry full-transport-theory problems, the superiority of the SP{sub 3} transport over the diffusion model is demonstrated in cases with pronounced anisotropy effects, which is, e.g., highly relevant to the modeling of fuel assemblies comprising absorber material.
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)
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 Of Van Der Waals Hybrid Heterostructures.
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.
Ab Initio Calculations of Transport Properties of Vanadium Oxides
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.
Transport properties of a ladder with two random dimer chains
International Nuclear Information System (INIS)
Hu Dong-Sheng; Zhu Chen-Ping; Zhang Yong-Mei
2011-01-01
We investigate the transport properties of a ladder with two random dimer (RD) chains. It is found that there are two extended states in the ladder with identical RD chains and a critical state regarded as an extended state in the ladder with pairing RD chains. Such a critical state is caused by the chiral symmetry. The ladder with identical RD chains can be decoupled into two isolated RD chains and the ladder with pairing RD chains can not. The analytic expressions of the extended states are presented for the ladder with identical RD chains. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
International Nuclear Information System (INIS)
Hayward, Robert M.; Rahnema, Farzad; Zhang, Dingkang
2013-01-01
Highlights: ► A new hybrid stochastic–deterministic transport theory method to couple with diffusion theory. ► The method is implemented in 2D hexagonal geometry. ► The new method produces excellent results when compared with Monte Carlo reference solutions. ► The method is fast, solving all test cases in less than 12 s. - Abstract: A new hybrid stochastic–deterministic transport theory method, which is designed to couple with diffusion theory, is presented. The new method is an extension of the incident flux response expansion method, and it combines the speed of diffusion theory with the accuracy of transport theory. With ease of use in mind, the new method is derived in such a way that it can be implemented with only minimal modifications to an existing diffusion theory method. A new angular expansion, which is necessary for the diffusion theory coupling, is developed in 2D and 3D. The method is implemented in 2D hexagonal geometry, and an HTTR benchmark problem is used to test its accuracy in a standalone configuration. It is found that the new method produces excellent results (with average relative error in partial current less than 0.033%) when compared with Monte Carlo reference solutions. Furthermore, the method is fast, solving all test cases in less than 12 s
International Nuclear Information System (INIS)
Heitfeld, Kevin A.; Schaefer, Dale W.
2009-01-01
Encapsulation is used to decrease the premature release of volatile flavour ingredients while offering protection against environmental damage such as oxidation, light-induced reactions, etc. Hydroxypropyl cellulose (HPC) is investigated here as a 'smart,' temperature responsive membrane for flavour encapsulation and delivery. Gel films were synthesized and characterized by diffusion and small-angle neutron and X-ray scattering techniques. Increasing temperature typically increases the diffusion rate across a membrane; HPC, however, can be tailored to give substantially improved elevated temperature properties. Scattering results indicate processing conditions have a significant impact on membrane morphology (micro phase separation). Under certain synthetic conditions, micro phase separation is mitigated and the membranes show temperature-independent diffusivity between 25 C and 60 C.
Transport Properties of the Metallic State of TMTSF-DMTCNQ
DEFF Research Database (Denmark)
Bechgaard, Klaus; Andersen, Jan Rud; Andrieux, A.
1979-01-01
The authors report the transport properties (longitudinal and transverse conductivity, magnetoresistance and thermopower) of TMTSF-DMTCNQ for pressures up to 13 kbar and temperatures down to 1.2K together with the phase diagram which results from these measurements. The most striking results...... at any temperature (σ∥≳105 (Ωcm)-1) and an enormous magnetoresistance Δρ/ρ≈15) is found for a field of 75 kOe perpendicular to the conducting chains...
Yokoyama, T.; Tanaka, Y.; Golubov, Alexandre Avraamovitch; Inoue, J.; Asano, Y.
2006-01-01
Charge transport in the diffusive normal metal/insulator/s-wave superconductor junctions is studied in the presence of the magnetic impurity for various situations, where we have used the Usadel equation with Nazarov's generalized boundary condition. It is revealed that the magnetic impurity
International Nuclear Information System (INIS)
Modak, R.S.; Sahni, D.C.
1996-01-01
Some simple reciprocity-like relations that exist in multi-group neutron diffusion and transport theory over bare homogeneous regions are presented. These relations do not involve the adjoint solutions and are directly related to numerical schemes based on an explicit evaluation of the fission matrix. (author)
International Nuclear Information System (INIS)
Clouet, J.F.; Samba, G.
2005-01-01
We use asymptotic analysis to study the diffusion limit of the Symbolic Implicit Monte-Carlo (SIMC) method for the transport equation. For standard SIMC with piecewise constant basis functions, we demonstrate mathematically that the solution converges to the solution of a wrong diffusion equation. Nevertheless a simple extension to piecewise linear basis functions enables to obtain the correct solution. This improvement allows the calculation in opaque medium on a mesh resolving the diffusion scale much larger than the transport scale. Anyway, the huge number of particles which is necessary to get a correct answer makes this computation time consuming. Thus, we have derived from this asymptotic study an hybrid method coupling deterministic calculation in the opaque medium and Monte-Carlo calculation in the transparent medium. This method gives exactly the same results as the previous one but at a much lower price. We present numerical examples which illustrate the analysis. (authors)
Gatebe, C. K.; Dubovik, O.; King, M. D.; Sinyuk, A.
2010-01-01
This paper presents a new method for simultaneously retrieving aerosol and surface reflectance properties from combined airborne and ground-based direct and diffuse radiometric measurements. The method is based on the standard Aerosol Robotic Network (AERONET) method for retrieving aerosol size distribution, complex index of refraction, and single scattering albedo, but modified to retrieve aerosol properties in two layers, below and above the aircraft, and parameters on surface optical properties from combined datasets (Cloud Absorption Radiometer (CAR) and AERONET data). A key advantage of this method is the inversion of all available spectral and angular data at the same time, while accounting for the influence of noise in the inversion procedure using statistical optimization. The wide spectral (0.34-2.30 m) and angular range (180 ) of the CAR instrument, combined with observations from an AERONET sunphotometer, provide sufficient measurement constraints for characterizing aerosol and surface properties with minimal assumptions. The robustness of the method was tested on observations made during four different field campaigns: (a) the Southern African Regional Science Initiative 2000 over Mongu, Zambia, (b) the Intercontinental Transport Experiment-Phase B over Mexico City, Mexico (c) Cloud and Land Surface Interaction Campaign over the Atmospheric Radiation Measurement (ARM) Central Facility, Oklahoma, USA, and (d) the Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) over Elson Lagoon in Barrow, Alaska, USA. The four areas are dominated by different surface characteristics and aerosol types, and therefore provide good test cases for the new inversion method.
Size Effect on Transport Properties of Gaseous Argon: A Molecular Dynamics Simulation Study
International Nuclear Information System (INIS)
Lee, Songhi
2014-01-01
We have carried out a series of equilibrium molecular dynamics (EMD) simulations of gaseous argon at 273.15 K and 1.00 atm for the calculation of transport properties as a function of the number of argon molecules (N). While the diffusion coefficients (D) of gaseous argon approach to the experimental measure with increasing N, the viscosities (η) and thermal conductivities (λ) obtained for N = 432 are unreliable due to the high fluctuation of the time correlation functions and those for N = 1728 are rather acceptable. Increasing further to N = 6912 has improved the MD results a little closer to the experimental measures for η and λ. Both the EMD results for η and λ for N = 6912 underestimate the experimental measures and it is not expected that the more increasing N makes the closer results to the experimental measures. One possible explanation for the large disagreement between MD results and the experimental measures for η and λ may be due to the use of LJ parameters which were used for liquid argon. In a recent study, we have examined the Green-Kubo formula for the calculation of transport properties (diffusion coefficient, viscosity, and thermal conductivity) of noble gases (He, Ne, Ar, Kr, and Xe) by carrying out a series of equilibrium molecular dynamics (EMD) simulations for the system of N=1728 at 273.15 K and 1.00 atm.1 While the diffusion coefficients (D) of noble gases were obtained through the original Green-Kubo formula, the viscosities (η) and thermal conductivities (λ) were obtained by utilizing the revised Green-Kubo formulas. The structural and dynamic properties of gaseous argon are completely different from those of liquid argon at 94.4 K and 1.374 g/cm 3 . The results for transport properties (D, η, and λ) at 273.15 K and 1.00 atm obtained from our EMD simulations are in general agreement with the experimental data and superior to the rigorous results of the kinetic theory
Hagberg, Gisela E; Mamedov, Ilgar; Power, Anthony; Beyerlein, Michael; Merkle, Hellmut; Kiselev, Valerij G; Dhingra, Kirti; Kubìček, Vojtĕch; Angelovski, Goran; Logothetis, Nikos K
2014-01-01
Calcium-sensitive MRI contrast agents can only yield quantitative results if the agent concentration in the tissue is known. The agent concentration could be determined by diffusion modeling, if relevant parameters were available. We have established an MRI-based method capable of determining diffusion properties of conventional and calcium-sensitive agents. Simulations and experiments demonstrate that the method is applicable both for conventional contrast agents with a fixed relaxivity value and for calcium-sensitive contrast agents. The full pharmacokinetic time-course of gadolinium concentration estimates was observed by MRI before, during and after intracerebral administration of the agent, and the effective diffusion coefficient D* was determined by voxel-wise fitting of the solution to the diffusion equation. The method yielded whole brain coverage with a high spatial and temporal sampling. The use of two types of MRI sequences for sampling of the diffusion time courses was investigated: Look-Locker-based quantitative T(1) mapping, and T(1) -weighted MRI. The observation times of the proposed MRI method is long (up to 20 h) and consequently the diffusion distances covered are also long (2-4 mm). Despite this difference, the D* values in vivo were in agreement with previous findings using optical measurement techniques, based on observation times of a few minutes. The effective diffusion coefficient determined for the calcium-sensitive contrast agents may be used to determine local tissue concentrations and to design infusion protocols that maintain the agent concentration at a steady state, thereby enabling quantitative sensing of the local calcium concentration. Copyright © 2014 John Wiley & Sons, Ltd.
Zhang, Yong; Green, Christopher T.; Tick, Geoffrey R.
2015-01-01
This study evaluates the role of the Peclet number as affected by molecular diffusion in transient anomalous transport, which is one of the major knowledge gaps in anomalous transport, by combining Monte Carlo simulations and stochastic model analysis. Two alluvial settings containing either short- or long-connected hydrofacies are generated and used as media for flow and transport modeling. Numerical experiments show that 1) the Peclet number affects both the duration of the power-law segment of tracer breakthrough curves (BTCs) and the transition rate from anomalous to Fickian transport by determining the solute residence time for a given low-permeability layer, 2) mechanical dispersion has a limited contribution to the anomalous characteristics of late-time transport as compared to molecular diffusion due to an almost negligible velocity in floodplain deposits, and 3) the initial source dimensions only enhance the power-law tail of the BTCs at short travel distances. A tempered stable stochastic (TSS) model is then applied to analyze the modeled transport. Applications show that the time-nonlocal parameters in the TSS model relate to the Peclet number, Pe. In particular, the truncation parameter in the TSS model increases nonlinearly with a decrease in Pe due to the decrease of the mean residence time, and the capacity coefficient increases with an increase in molecular diffusion which is probably due to the increase in the number of immobile particles. The above numerical experiments and stochastic analysis therefore reveal that the Peclet number as affected by molecular diffusion controls transient anomalous transport in alluvial aquifer–aquitard complexes.
Qin, Jianwei; Lu, Renfu
2005-11-01
Absorption and reduced scattering coefficients are two fundamental optical properties for turbid biological materials. This paper presents the technique and method of using hyperspectral diffuse reflectance for fast determination of the optical properties of fruit and vegetable juices and milks. A hyperspectral imaging system was used to acquire spatially resolved steady-state diffuse reflectance over the spectral region between 530 and 900 nm from a variety of fruit and vegetable juices (citrus, grapefruit, orange, and vegetable) and milks with different fat levels (full, skim and mixed). The system collected diffuse reflectance in the source-detector separation range from 1.1 to 10.0 mm. The hyperspectral reflectance data were analyzed by using a diffusion theory model for semi-infinite homogeneous media. The absorption and reduced scattering coefficients of the fruit and vegetable juices and milks were extracted by inverse algorithms from the scattering profiles for wavelengths of 530-900 nm. Values of the absorption and reduced scattering coefficient at 650 nm were highly correlated to the fat content of the milk samples with the correlation coefficient of 0.990 and 0.989, respectively. The hyperspectral imaging technique can be extended to the measurement of other liquid and solid foods in which light scattering is dominant.
Effects of calcium leaching on diffusion properties of hardened and altered cement pastes
Kurumisawa, Kiyofumi; Haga, Kazuko; Hayashi, Daisuke; Owada, Hitoshi
2017-06-01
It is very important to predict alterations in the concrete used for fabricating disposal containers for radioactive waste. Therefore, it is necessary to understand the alteration of cementitious materials caused by calcium leaching when they are in contact with ground water in the long term. To evaluate the long-term transport characteristics of cementitious materials, the microstructural behavior of these materials should be considered. However, many predictive models of transport characteristics focus on the pore structure, while only few such models consider both, the spatial distribution of calcium silicate hydrate (C-S-H), portlandite, and the pore spaces. This study focused on the spatial distribution of these cement phases. The auto-correlation function of each phase of cementitious materials was calculated from two-dimensional backscattered electron imaging, and the three-dimensional spatial image of the cementitious material was produced using these auto-correlation functions. An attempt was made to estimate the diffusion coefficient of chloride from the three-dimensional spatial image. The estimated diffusion coefficient of the altered sample from the three-dimensional spatial image was found to be comparable to the measured value. This demonstrated that it is possible to predict the diffusion coefficient of the altered cement paste by using the proposed model.
Properties of diffusive systems near a saddle point: application to a quartic double well
Battezzati, M
2003-01-01
This paper aims at the analysis of diffusive properties of unidimensional mechanical systems in the environment of maxima and minima of the potential. It begins with a study of the properties of the singular solutions of the Hamilton-Jacobi-Yasue equation in the above-mentioned environment, in both strong or very small frictional forces. For the quartic symmetrical double-well potential, approximate solutions are found for local validity and the diffusion operator is then calculated in the limits of deep wells and small temperature, the regime being supposed to be aperiodic, with high or moderate values of frictional coefficient. This equation is proved to be nonunique. This operator is then reduced to second order by imposing suitable boundary conditions. Thus an appropriate eigenvalue equation is obtained to describe stationary states in the environment of extremal points of the potential energy function. The main interest of this work relies upon the fact that transition times between wells mainly depend u...
Biogeochemical reactive-diffusive transport of heavy metals in Lake Coeur d'Alene sediments
International Nuclear Information System (INIS)
Sevinc Sengoer, S.; Spycher, Nicolas F.; Ginn, Timothy R.; Sani, Rajesh K.; Peyton, Brent
2007-01-01
Decades of runoff from precious-metal mining operations in the Lake Coeur d'Alene Basin, Idaho, have left the sediments in this lake heavily enriched with toxic metals, most notably Zn, Pb and Cu, together with As. The bioavailability, fate and transport of these metals in the sediments are governed by complex biogeochemical processes. In particular, indigenous microbes are capable of catalyzing reactions that detoxify their environments, and thus constitute an important driving component in the biogeochemical cycling of these metals. Here, the development of a quantitative model to evaluate the transport and fate of Zn, Pb and Cu in Lake Coeur d'Alene sediments is reported. The current focus is on the investigation and understanding of local-scale processes, rather than the larger-scale dynamics of sedimentation and diagenesis, with particular emphasis on metal transport through reductive dissolution of Fe hydroxides. The model includes 1-D inorganic diffusive transport coupled to a biotic reaction network including consortium biodegradation kinetics with multiple terminal electron acceptors and syntrophic consortium biotransformation dynamics of redox front. The model captures the mobilization of metals initially sorbed onto hydrous ferric oxides, through bacterial reduction of Fe(III) near the top of the sediment column, coupled with the precipitation of metal sulfides at depth due to biogenic sulfide production. Key chemical reactions involve the dissolution of ferrihydrite and precipitation of siderite and Fe sulfide. The relative rates of these reactions play an important role in the evolution of the sediment pore-water chemistry, notably pH, and directly depend on the relative activity of Fe and SO 4 reducers. The model captures fairly well the observed trends of increased alkalinity, sulfide, Fe and heavy metal concentrations below the sediment-water interface, together with decreasing terminal electron acceptor concentrations with depth, including the
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.
Correlation of transarterial transport of various dextrans with their physicochemical properties.
Elmalak, O; Lovich, M A; Edelman, E
2000-11-01
Local vascular drug delivery provides elevated concentrations of drug in the target tissue while minimizing systemic side effects. To better characterize local pharmacokinetics we examined the arterial transport of locally applied dextran and dextran derivatives in vivo. Using a two-compartment pharmacokinetic model to correct the measured transmural flux of these compounds for systemic redistribution and elimination as delivered from a photopolymerizable hydrogel surrounding rat carotid arteries, we found that the diffusivities and the transendothelial permeabilities were strongly dependent on molecular weight and charge. For neutral dextrans, the effective diffusive resistance in the media increased with molecular weight approximately 4.1-fold between the molecular weights of 10 and 282 kDa. Similarly, endothelial resistance increased 28-fold over the same molecular weight range. The effective medial diffusive resistance was unaffected by cationic charge as such molecules moved identically to neutral compounds, but increased approximately 40% when dextrans were negatively charged. Transendothelial resistance was 20-fold lower for the cationic dextrans, and 11-fold higher for the anionic dextrans, when both were compared to neutral counterparts. These results suggest that, while low molecular weight drugs will rapidly traverse the arterial wall with the endothelium posing a minimal barrier, the reverse is true for high molecular weight agents. With these data, the deposition and distribution of locally released vasotherapeutic compounds might be predicted based upon chemical properties, such as molecular weight and charge.
Li+ ions diffusion into sol-gel V2O5 thin films: electrochromic properties
Benmoussa, M.; Outzourhit, A.; Bennouna, A.; Ihlal, A.
2009-10-01
V{2}O{5} thin films were prepared by the sol-gel spin coating process. The Li+ ions insertion effect on optical and electrochromic properties of those films was studied. The diffusion coefficient was calculated using both cyclic voltammograms and chronoamperometric curves. The amount x of Li+ ions in LixV{2}O{5} was also calculated. Finally, the electrochromic performance evolution characteristics such as the reversibility, coloration efficiency, coloration memory stability and response time were studied.
Linear elastic properties derivation from microstructures representative of transport parameters.
Hoang, Minh Tan; Bonnet, Guy; Tuan Luu, Hoang; Perrot, Camille
2014-06-01
It is shown that three-dimensional periodic unit cells (3D PUC) representative of transport parameters involved in the description of long wavelength acoustic wave propagation and dissipation through real foam samples may also be used as a standpoint to estimate their macroscopic linear elastic properties. Application of the model yields quantitative agreement between numerical homogenization results, available literature data, and experiments. Key contributions of this work include recognizing the importance of membranes and properties of the base material for the physics of elasticity. The results of this paper demonstrate that a 3D PUC may be used to understand and predict not only the sound absorbing properties of porous materials but also their transmission loss, which is critical for sound insulation problems.
Interface disorder and transport properties in HTC/CMR superlattices
International Nuclear Information System (INIS)
Haberkorn, N.; Guimpel, J.; Sirena, M.; Steren, L.B.; Campillo, G.; Saldarriaga, W.; Gomez, M.E.
2004-01-01
The physical properties of superlattices are affected by interface disorder, like roughness and interdiffusion. X-ray diffraction allows its measurement through modeling and structure refinement. The high-T c RBa 2 Cu 3 O 7 (RBCO) and colossal magnetoresistance La x A 1-x MnO 3 (LAMO) perovskites are interesting superlattice partners given their similar lattice parameters and because the combination of magnetic and superconducting properties is interesting for both basic and applied research. We have investigated the structural and transport properties of YBCO/La 2/3 Ca 1/3 MnO 3 and GdBCO/La 0.6 Sr 0.04 MnO 3 superlattices grown by sputtering on (1 0 0)MgO. We find a roughness of 1 RBCO unit cell and a 30% interdiffusion in the same length from the interfaces for all samples. The superconducting behavior is found strongly dependent on the LAMO layer thickness
Vishwanath, Karthik; Chang, Kevin; Klein, Daniel; Deng, Yu Feng; Chang, Vivide; Phelps, Janelle E; Ramanujam, Nimmi
2011-02-01
Steady-state diffuse reflection spectroscopy is a well-studied optical technique that can provide a noninvasive and quantitative method for characterizing the absorption and scattering properties of biological tissues. Here, we compare three fiber-based diffuse reflection spectroscopy systems that were assembled to create a light-weight, portable, and robust optical spectrometer that could be easily translated for repeated and reliable use in mobile settings. The three systems were built using a broadband light source and a compact, commercially available spectrograph. We tested two different light sources and two spectrographs (manufactured by two different vendors). The assembled systems were characterized by their signal-to-noise ratios, the source-intensity drifts, and detector linearity. We quantified the performance of these instruments in extracting optical properties from diffuse reflectance spectra in tissue-mimicking liquid phantoms with well-controlled optical absorption and scattering coefficients. We show that all assembled systems were able to extract the optical absorption and scattering properties with errors less than 10%, while providing greater than ten-fold decrease in footprint and cost (relative to a previously well-characterized and widely used commercial system). Finally, we demonstrate the use of these small systems to measure optical biomarkers in vivo in a small-animal model cancer therapy study. We show that optical measurements from the simple portable system provide estimates of tumor oxygen saturation similar to those detected using the commercial system in murine tumor models of head and neck cancer.
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.
International Nuclear Information System (INIS)
Fink, J.K.; Chasanov, M.G.; Leibowitz, L.
Equations have been derived for the enthalpy, heat capacity, thermal conductivity, and thermal diffusivity of UO 2 . In selection of these equations, we considered the traditional criterion of lowest relative standard deviation between experimental data and the function chosen to fit these data as well as consistency between the thermophysical properties. In the latter case, we considered consistency in (1) thermodynamic relations among properties, (2) the choice of physical phenomena on which to base the theoretical formulation of the equations, and (3) the existence and temperature of phase transitions
International Nuclear Information System (INIS)
Gast, R.C.
1981-08-01
A procedure for defining diffusion coefficients from Monte Carlo calculations that results in suitable ones for use in neutron diffusion theory calculations is not readily obtained. This study provides a survey of the methods used to define diffusion coefficients from deterministic calculations and provides a discussion as to why such traditional methods cannot be used in Monte Carlo. This study further provides the empirical procedure used for defining diffusion coefficients from the RCP01 Monte Carlo program
Red cell properties after different modes of blood transportation
Directory of Open Access Journals (Sweden)
Asya Makhro
2016-07-01
Full Text Available Transportation of blood samples is unavoidable for assessment of specific parameters in blood of patients with rare anemias, blood doping testing or for research purposes. Despite the awareness that shipment may substantially alter multiple parameters, no study of that extend has been performed to assess these changes and optimize shipment conditions to reduce transportation-related artifacts. Here we investigate the changes in multiple parameters in blood of healthy donors over 72 hours of simulated shipment conditions. Three different anticoagulants (K3EDTA, Sodium Heparin and citrate-based CPDA for two temperatures (4oC and room temperature were tested to define the optimal transportation conditions. Parameters measured cover common cytology and biochemistry parameters (complete blood count, hematocrit, morphological examination, red blood cell (RBC volume, ion content and density, membrane properties and stability (hemolysis, osmotic fragility, membrane heat stability, patch-clamp investigations and formation of micro vesicles, Ca2+ handling, RBC metabolism, activity of numerous enzymes and O2 transport capacity. Our findings indicate that individual sets of parameter may require different shipment settings (anticoagulants, temperature. Most of the parameters except for ion (Na+, K+, Ca2+ handling and, possibly, reticulocytes counts, tend to favor transportation at 4oC. Whereas plasma and intraerythrocytic Ca2+ cannot be accurately measured in the presence of chelators such as citrate and EDTA, majority of Ca2+-dependent parameters are stabilized in CPDA samples. Even in blood samples from healthy donors transported using optimized shipment protocol the majority of parameters were stable within 24 hours, the condition that may not hold for the samples of patients with rare anemias. This implies for the as short as possible shipping using fast courier services to the closest expert laboratory at reach. Mobile laboratories or the travel of the
Energy Technology Data Exchange (ETDEWEB)
Zhaoyuan Liu; Kord Smith; Benoit Forget; Javier Ortensi
2016-05-01
A new method for computing homogenized assembly neutron transport cross sections and dif- fusion coefficients that is both rigorous and computationally efficient is proposed in this paper. In the limit of a homogeneous hydrogen slab, the new method is equivalent to the long-used, and only-recently-published CASMO transport method. The rigorous method is used to demonstrate the sources of inaccuracy in the commonly applied “out-scatter” transport correction. It is also demonstrated that the newly developed method is directly applicable to lattice calculations per- formed by Monte Carlo and is capable of computing rigorous homogenized transport cross sections for arbitrarily heterogeneous lattices. Comparisons of several common transport cross section ap- proximations are presented for a simple problem of infinite medium hydrogen. The new method has also been applied in computing 2-group diffusion data for an actual PWR lattice from BEAVRS benchmark.
Influence of biofilms on transport properties in porous media
Davit, Y.
2015-12-01
Microbial activity and biofilm growth in porous media can drastically modify transport properties such as permeability, longitudinal and transverse dispersion or effective reaction rates. Understanding these effects has proven to be a considerable challenge. Advances in this field have been hindered by the difficulty of modeling and visualizing these multi-phase non-linear effects across a broad range of spatial and temporal scales. To address these issues, we are developing a strategy that combines imaging techniques based on x-ray micro-tomography with homogenization of pore-scale transport equations. Here, we review recent progress in x-ray imaging of biofilms in porous media, with a particular focus on the contrast agents that are used to differentiate between the fluid and biofilm phases. We further show how the 3D distribution of the different phases can be used to extract specific information about the biofilm and how effective properties can be calculated via the resolution of closure problems. These closure problems are obtained using the method of volume averaging and must be adapted to the problem of interest. In hydrological systems, we show that a generic formulation for reactive solute transport is based on a domain decomposition approach at the micro-scale yielding macro-scale models reminiscent of multi-rate mass transfer approaches.
Magnetic property effect on transport processes in resistance spot welding
Energy Technology Data Exchange (ETDEWEB)
Wei, P S [Department of Mechanical and Electro-Mechanical Engineering, National Sun Yat-Sen University, Kaohsiung, Taiwan 80424 (China); Wu, T H, E-mail: pswei@mail.nsysu.edu.tw, E-mail: wux0064@gmail.com [Department of Mechanical Engineering, Yung Ta Institute of Technology and Commerce, Pintong, Taiwan 909 (China)
2011-08-17
This study investigates the effects of the Curie temperature and magnetic permeability on transport variables, solute distribution and nugget shapes during resistance spot welding. The Curie temperature is the temperature below which a metal or alloy is ferromagnetic with a high magnetic permeability, and above which it is paramagnetic with a small magnetic permeability. The model proposed here accounts for electromagnetic force, heat generation and contact resistance at the faying surface and electrode-workpiece interfaces and bulk resistance in workpieces. Contact resistance includes constriction and film resistances, which are functions of hardness, temperature, electrode force and surface condition. The computed results show that transport variables and nugget shapes can be consistently interpreted from the delay of response time and jump of electric current density as a result of finite magnetic diffusion, rather than through the examination of the variations of dynamic electrical resistance with time. The molten nugget on the faying surface is initiated earlier with increasing magnetic permeability and Curie temperature. A high Curie temperature enhances convection and solute mixing, and readily melts through the workpiece surface near the electrode edge. Any means to reduce the Curie temperature or magnetic permeability, such as adjusting the solute content, can be a good way to control weld quality. This study can also be applied to interpret the contact problems encountered in various electronics and packaging technologies, and so on.
Diffusion and scattering in multifractal clouds
Energy Technology Data Exchange (ETDEWEB)
Lovejoy, S. [McGill Univ., Montreal, Quebec (Canada); Schertzer, D. [Universite Pierre et Marie Curie, Paris (France); Waston, B. [St. Lawrence Univ., Canton, NY (United States)] [and others
1996-04-01
This paper describes investigations of radiative properties of multifractal clouds using two different approaches. In the first, diffusion is considered by examining the scaling properties of one dimensional random walks on media with multifractal diffusivities. The second approach considers the scattering statistics associated with radiative transport.
Vermorel, Romain; Oulebsir, Fouad; Galliero, Guillaume
2017-09-14
The computation of diffusion coefficients in molecular systems ranks among the most useful applications of equilibrium molecular dynamics simulations. However, when dealing with the problem of fluid diffusion through vanishingly thin interfaces, classical techniques are not applicable. This is because the volume of space in which molecules diffuse is ill-defined. In such conditions, non-equilibrium techniques allow for the computation of transport coefficients per unit interface width, but their weak point lies in their inability to isolate the contribution of the different physical mechanisms prone to impact the flux of permeating molecules. In this work, we propose a simple and accurate method to compute the diffusional transport coefficient of a pure fluid through a planar interface from equilibrium molecular dynamics simulations, in the form of a diffusion coefficient per unit interface width. In order to demonstrate its validity and accuracy, we apply our method to the case study of a dilute gas diffusing through a smoothly repulsive single-layer porous solid. We believe this complementary technique can benefit to the interpretation of the results obtained on single-layer membranes by means of complex non-equilibrium methods.
International Nuclear Information System (INIS)
Lyons, W.A.; Keen, C.S.; Schuh, J.A.
1983-12-01
This document discusses the impacts of coastal mesoscale regimes (CMRs) upon the transport and diffusion of potential accidental radionuclide releases from a shoreline nuclear power plant. CMRs exhibit significant spatial (horizontal and vertical) and temporal variability. Case studies illustrate land breezes, sea/lake breeze inflows and return flows, thermal internal boundary layers, fumigation, plume trapping, coastal convergence zones, thunderstorms and snow squalls. The direct application of a conventional Gaussian straight-line dose assessment model, initialized only by on-site tower data, can potentially produce highly misleading guidance as to plume impact locations. Since much is known concerning CMRs, there are many potential improvements to modularized dose assessment codes, such as by proper parameterization of TIBLs, forecasting the inland penetration of convergence zones, etc. A three-dimensional primitive equation prognostic model showed excellent agreement with detailed lake breeze field measurements, giving indications that such codes can be used in both diagnostic and prognostic studies. The use of relatively inexpensive supplemental meteorological data especially from remote sensing systems (Doppler sodar, radar, lightning strike tracking) and computerized data bases should save significantly on software development costs. Better quality assurance of emergency response codes could include systems of flags providing personnel with confidence levels as to the applicability of a code being used during any given CMR
TASK, 1-D Multigroup Diffusion or Transport Theory Reactor Kinetics with Delayed Neutron
International Nuclear Information System (INIS)
Buhl, A.R.; Hermann, O.W.; Hinton, R.J.; Dodds, H.L. Jr.; Robinson, J.C.; Lillie, R.A.
1975-01-01
1 - Description of problem or function: TASK solves the one-dimensional multigroup form of the reactor kinetics equations, using either transport or diffusion theory and allowing an arbitrary number of delayed neutron groups. The program can also be used to solve standard static problems efficiently such as eigenvalue problems, distributed source problems, and boundary source problems. Convergence problems associated with sources in highly multiplicative media are circumvented, and such problems are readily calculable. 2 - Method of solution: TASK employs a combination scattering and transfer matrix method to eliminate certain difficulties that arise in classical finite difference approximations. As such, within-group (inner) iterations are eliminated and solution convergence is independent of spatial mesh size. The time variable is removed by Laplace transformation. (A later version will permit direct time solutions.) The code can be run either in an outer iteration mode or in closed (non-iterative) form. The running mode is dictated by the number of groups times the number of angles, consistent with available storage. 3 - Restrictions on the complexity of the problem: The principal restrictions are available storage and computation time. Since the code is flexibly-dimensioned and has an outer iteration option there are no internal restrictions on group structure, quadrature, and number of ordinates. The flexible-dimensioning scheme allows optional use of core storage. The generalized cylindrical geometry option is not complete in Version I of the code. The feedback options and omega-mode search options are not included in Version I
Structure and evolution of the plant cation diffusion facilitator family of ion transporters
Directory of Open Access Journals (Sweden)
Zanis Michael J
2011-03-01
Full Text Available Abstract Background Members of the cation diffusion facilitator (CDF family are integral membrane divalent cation transporters that transport metal ions out of the cytoplasm either into the extracellular space or into internal compartments such as the vacuole. The spectrum of cations known to be transported by proteins of the CDF family include Zn, Fe, Co, Cd, and Mn. Members of this family have been identified in prokaryotes, eukaryotes, and archaea, and in sequenced plant genomes. CDF families range in size from nine members in Selaginella moellendorffii to 19 members in Populus trichocarpa. Phylogenetic analysis suggests that the CDF family has expanded within plants, but a definitive plant CDF family phylogeny has not been constructed. Results Representative CDF members were annotated from diverse genomes across the Viridiplantae and Rhodophyta lineages and used to identify phylogenetic relationships within the CDF family. Bayesian phylogenetic analysis of CDF amino acid sequence data supports organizing land plant CDF family sequences into 7 groups. The origin of the 7 groups predates the emergence of land plants. Among these, 5 of the 7 groups are likely to have originated at the base of the tree of life, and 2 of 7 groups appear to be derived from a duplication event prior to or coincident with land plant evolution. Within land plants, local expansion continues within select groups, while several groups are strictly maintained as one gene copy per genome. Conclusions Defining the CDF gene family phylogeny contributes to our understanding of this family in several ways. First, when embarking upon functional studies of the members, defining primary groups improves the predictive power of functional assignment of orthologous/paralogous genes and aids in hypothesis generation. Second, defining groups will allow a group-specific sequence motif to be generated that will help define future CDF family sequences and aid in functional motif
Diffusion and particle mobility in 1D system
International Nuclear Information System (INIS)
Borman, V.D.; Johansson, B.; Skorodumova, N.V.; Tronin, I.V.; Tronin, V.N.; Troyan, V.I.
2006-01-01
The transport properties of one-dimensional (1D) systems have been studied theoretically. Contradictory experimental results on molecular transport in quasi-1D systems, such as zeolite structures, when both diffusion transport acceleration and the existence of the diffusion mode with lower particle mobility (single-file diffusion ( 2 >∼t 1/2 )) have been reported, are consolidated in a consistent model. Transition from the single-file diffusion mode to an Einstein-like diffusion 2 >∼t with diffusion coefficient increasing with the density has been predicted to occur at large observation times
Diffusive and quantum effects of water properties in different states of matter
International Nuclear Information System (INIS)
Yeh, Kuan-Yu; Huang, Shao-Nung; Chen, Li-Jen; Lin, Shiang-Tai
2014-01-01
The enthalpy, entropy, and free energy of water are important physical quantities for understanding many interesting phenomena in biological systems. However, conventional approaches require different treatments to incorporate quantum and diffusive effects of water in different states of matter. In this work, we demonstrate the use of the two-phase thermodynamic (2PT) model as a unified approach to obtain the properties of water over the whole phase region of water from short (∼20 ps) classical molecular dynamics trajectories. The 2PT model provides an effective way to separate the diffusive modes (gas-like component) from the harmonic vibrational modes (solid-like component) in the vibrational density of states (DoS). Therefore, both diffusive and quantum effect can be properly accounted for water by applying suitable statistical mechanical weighting functions to the DoS components. We applied the 2PT model to systematically examine the enthalpy, entropy, and their temperature dependence of five commonly used rigid water models. The 2PT results are found to be consistent with those obtained from more sophisticated calculations. While the thermodynamic properties determined from different water models are largely similar, the phase boundary determined from the equality of free energy is very sensitive to the small inaccuracy in the values of enthalpy and absolute entropy. The enthalpy, entropy, and diffusivity of water are strongly interrelated, which challenge further improvement of rigid water model via parameter fitting. Our results show that the 2PT is an efficient method for studying the properties of water under various chemical and biological environments
Structural and robustness properties of smart-city transportation networks
Zhang, Zhen-Gang; Ding, Zhuo; Fan, Jing-Fang; Meng, Jun; Ding, Yi-Min; Ye, Fang-Fu; Chen, Xiao-Song
2015-09-01
The concept of smart city gives an excellent resolution to construct and develop modern cities, and also demands infrastructure construction. How to build a safe, stable, and highly efficient public transportation system becomes an important topic in the process of city construction. In this work, we study the structural and robustness properties of transportation networks and their sub-networks. We introduce a complementary network model to study the relevance and complementarity between bus network and subway network. Our numerical results show that the mutual supplement of networks can improve the network robustness. This conclusion provides a theoretical basis for the construction of public traffic networks, and it also supports reasonable operation of managing smart cities. Project supported by the Major Projects of the China National Social Science Fund (Grant No. 11 & ZD154).
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)
International Nuclear Information System (INIS)
Park, J. B.; Park, J. W.; Lee, E. Y.; Kim, C. R.
2002-01-01
Colloid-facilitated radionuclide transport in the fractured rock is studies by considering radioactive decay chain and limited matrix diffusion into surrounding porous media. Semi-analytical solution in the Laplace domain is obtained from the mass balance equation of radionuclides and colloid particles. Numerical inversion of the Laplace solution is used to get the concentration profiles both in a fracture and in rock matrix. There issues are analyzed for the radionuclide concentration in a fracture by 1) formation constant of pseudo-colloid, 2) filtration coefficient of radio-colloid and 3) effective diffusion depth into the surrounding porous rock media
Influence of short range ordering and clustering on transport properties
International Nuclear Information System (INIS)
Vigier, G.; Pelletier, J.M.
1982-01-01
The influence of short range ordering and clustering phenomena on the electrical resistivity p and the thermopower S is investigated both theoretically and experimentally. According to the considered alloys either increases or decreases of transport properties may be observed when deviations from a random distribution of solute atoms occur. These observations are explained with a model based on free electrons and Born approximations the importance of the potential choice is underlined; two kinds of description of the structure factor are investigated. A good semiquantitative agreement is obtained between computed results and experimental observations
1D-transport properties of single superconducting lead nanowires
DEFF Research Database (Denmark)
Michotte, S.; Mátéfi-Tempfli, Stefan; Piraux, L.
2003-01-01
of the nanowire is small enough to ensure a 1D superconducting regime in a wide temperature range below T. The non-zero resistance in the superconducting state and its variation caused by fluctuations of the superconducting order parameter were measured versus temperature, magnetic field, and applied DC current......We report on the transport properties of single superconducting lead nanowires grown by an electrodeposition technique, embedded in a nanoporous track-etched polymer membrane. The nanowires are granular, have uniform diameter of ̃40 nm and a very large aspect ratio (̃500). The diameter...
Quantum oscillations and the electronic transport properties in multichain nanorings
International Nuclear Information System (INIS)
Racolta, D.
2009-01-01
We consider a system of multichain nanorings in static electric and magnetic field. The magnetic field induces characteristic phase changes. These phase shifts produce interference phenomena in the case of nanosystems for which the coherence length is larger than the sample dimension. We obtain energy solutions that are dependent on the number of sites N α characterizing a chain, of phase on the phase φ α and on the applied voltage. We found rich oscillations structures exhibited by the magnetic flux and we established the transmission probability. This proceeds by applying Landauer conductance formulae which opens the way to study electronic transport properties. (authors)
Electrical and thermal transport properties of uranium and plutonium carbides
International Nuclear Information System (INIS)
Lewis, H.D.; Kerrisk, J.F.
1976-09-01
Contributions of many authors are outlined with respect to the experimental measurement methods used and characteristics of the sample materials. Discussions treat the qualitative effects of sample material composition; oxygen, nitrogen, and nickel concentrations; porosity; microstructural variations; and the variability in transport property values obtained by the various investigators. Temperature-dependent values are suggested for the electrical resistivities and thermal conductivities of selected carbide compositions based on a comparative evaluation of the available data and the effects of variation in the characteristics of sample materials
Soil properties and preferential solute transport at the field scale
DEFF Research Database (Denmark)
Koestel, J K; Minh, Luong Nhat; Nørgaard, Trine
An important fraction of water flow and solute transport through soil takes place through preferential flow paths. Although this had been already observed in the nineteenth century, it had been forgotten by the scientific community until it was rediscovered during the 1970s. The awareness...... of the relevance of preferential flow was broadly re-established in the community by the early 1990s. However, since then, the notion remains widespread among soil scientists that the occurrence and strength of preferential flow cannot be predicted from measurable proxy variables such as soil properties or land...
Energy Technology Data Exchange (ETDEWEB)
Cholis, Ilias; Tavakoli, Maryam; Ullio, Piero [SISSA, Trieste (Italy); INFN, Trieste (Italy); Evoli, Carmelo [SISSA, Trieste (Italy); Chinese Academy of Sciences, Beijing (China). National Astronomical Observatories; Maccione, Luca [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
2011-06-15
We study the high latitude (vertical stroke b vertical stroke >10 ) diffuse {gamma}-ray emission in the Galaxy in light of the recently published data from the Fermi collaboration at energies between 100 MeV and 100 GeV. The unprecedented accuracy in these measurements allows to probe and constrain the properties of sources and propagation of cosmic rays (CRs) in the Galaxy, as well as confirming conventional assumptions made on the interstellar medium (ISM). Using the publicly available DRAGON code, that has been shown to reproduce local measurements of CRs, we study assumptions made in the literature on HI and H2 gas distributions in the ISM, and non spatially uniform models of diffusion in the Galaxy. By performing a combined analysis of CR and {gamma}-ray spectra, we derive constraints on the properties of the ISM gas distribution and the vertical scale height of galactic CR diffusion, which may have implications also on indirect Dark Matter detection. We also discuss some of the possible interpretations of the break at {proportional_to}230 GeV in CR protons and helium spectra, recently observed by PAMELA and their impact on {gamma}-rays. (orig.)
Diffuse galactic gamma rays at intermediate and high latitudes. I. Constraints on the ISM properties
International Nuclear Information System (INIS)
Cholis, Ilias; Tavakoli, Maryam; Evoli, Carmelo; Ullio, Piero; Maccione, Luca
2012-01-01
We study the high latitude (|b| > 10°) diffuse γ-ray emission in the Galaxy in light of the recently published data from the Fermi collaboration at energies between 100 MeV and 100 GeV. The unprecedented accuracy in these measurements allows to probe and constrain the properties of sources and propagation of cosmic rays (CRs) in the Galaxy, as well as confirming conventional assumptions made on the interstellar medium (ISM). Using the publicly available DRAGON code, that has been shown to reproduce local measurements of CRs, we study assumptions made in the literature on atomic (HI) and molecular hydrogen (H2) gas distributions in the ISM, and non spatially uniform models of diffusion in the Galaxy. By performing a combined analysis of CR and γ-ray spectra, we derive constraints on the properties of the ISM gas distribution and the vertical scale height of galactic CR diffusion, which may have implications also on indirect Dark Matter detection. We also discuss some of the possible interpretations of the break at high rigidity in CR protons and helium spectra, recently observed by PAMELA and their impact on γ-rays
International Nuclear Information System (INIS)
Cholis, Ilias; Tavakoli, Maryam; Ullio, Piero; Evoli, Carmelo
2011-06-01
We study the high latitude (vertical stroke b vertical stroke >10 ) diffuse γ-ray emission in the Galaxy in light of the recently published data from the Fermi collaboration at energies between 100 MeV and 100 GeV. The unprecedented accuracy in these measurements allows to probe and constrain the properties of sources and propagation of cosmic rays (CRs) in the Galaxy, as well as confirming conventional assumptions made on the interstellar medium (ISM). Using the publicly available DRAGON code, that has been shown to reproduce local measurements of CRs, we study assumptions made in the literature on HI and H2 gas distributions in the ISM, and non spatially uniform models of diffusion in the Galaxy. By performing a combined analysis of CR and γ-ray spectra, we derive constraints on the properties of the ISM gas distribution and the vertical scale height of galactic CR diffusion, which may have implications also on indirect Dark Matter detection. We also discuss some of the possible interpretations of the break at ∝230 GeV in CR protons and helium spectra, recently observed by PAMELA and their impact on γ-rays. (orig.)
Thermophysical and anion diffusion properties of (U x ,Th1-x )O2.
Cooper, Michael W D; Murphy, Samuel T; Fossati, Paul C M; Rushton, Michael J D; Grimes, Robin W
2014-11-08
Using molecular dynamics, the thermophysical properties of the (U x ,Th 1- x )O 2 system have been investigated between 300 and 3600 K. The thermal dependence of lattice parameter, linear thermal expansion coefficient, enthalpy and specific heat at constant pressure is explained in terms of defect formation and diffusivity on the oxygen sublattice. Vegard's law is approximately observed for solid solution thermal expansion below 2000 K. Different deviations from Vegard's law above this temperature occur owing to the different temperatures at which the solid solutions undergo the superionic transition (2500-3300 K). Similarly, a spike in the specific heat, associated with the superionic transition, occurs at lower temperatures in solid solutions that have a high U content. Correspondingly, oxygen diffusivity is higher in pure UO 2 than in pure ThO 2 . Furthermore, at temperatures below the superionic transition, oxygen mobility is notably higher in solid solutions than in the end members. Enhanced diffusivity is promoted by lower oxygen-defect enthalpies in (U x ,Th 1- x )O 2 solid solutions. Unlike in UO 2 and ThO 2 , there is considerable variety of oxygen vacancy and oxygen interstitial sites in solid solutions generating a wide range of property values. Trends in the defect enthalpies are discussed in terms of composition and the lattice parameter of (U x ,Th 1- x )O 2 .
Thermophysical and anion diffusion properties of (Ux,Th1−x)O2
Cooper, Michael W. D.; Murphy, Samuel T.; Fossati, Paul C. M.; Rushton, Michael J. D.; Grimes, Robin W.
2014-01-01
Using molecular dynamics, the thermophysical properties of the (Ux,Th1−x)O2 system have been investigated between 300 and 3600 K. The thermal dependence of lattice parameter, linear thermal expansion coefficient, enthalpy and specific heat at constant pressure is explained in terms of defect formation and diffusivity on the oxygen sublattice. Vegard's law is approximately observed for solid solution thermal expansion below 2000 K. Different deviations from Vegard's law above this temperature occur owing to the different temperatures at which the solid solutions undergo the superionic transition (2500–3300 K). Similarly, a spike in the specific heat, associated with the superionic transition, occurs at lower temperatures in solid solutions that have a high U content. Correspondingly, oxygen diffusivity is higher in pure UO2 than in pure ThO2. Furthermore, at temperatures below the superionic transition, oxygen mobility is notably higher in solid solutions than in the end members. Enhanced diffusivity is promoted by lower oxygen-defect enthalpies in (Ux,Th1−x)O2 solid solutions. Unlike in UO2 and ThO2, there is considerable variety of oxygen vacancy and oxygen interstitial sites in solid solutions generating a wide range of property values. Trends in the defect enthalpies are discussed in terms of composition and the lattice parameter of (Ux,Th1−x)O2. PMID:25383028
Stacking dependence of carrier transport properties in multilayered black phosphorous
Sengupta, A.; Audiffred, M.; Heine, T.; Niehaus, T. A.
2016-02-01
We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with generalized gradient approximation (GGA) and the bandstructure, carrier effective masses and optical properties evaluated with the meta-generalized gradient approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium green’s function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gaps, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous.
Transport properties and pore-network structure in variably-saturated Sphagnum peat soil
DEFF Research Database (Denmark)
Hamamoto, Shoichiro; Dissanayaka, Shiromi Himalika; Kawamoto, K.
2016-01-01
Gas and water transport in peat soil are of increasing interest because of their potentially large environmental and climatic effects under different types of land use. In this research, the water retention curve (WRC), gas diffusion coefficient (Dg) and air and water permeabilities (ka and kw......) of layers in peat soil from two profiles were measured under different moisture conditions. A two-region Archie's Law (2RAL)-type model was applied successfully to the four properties; the reference point was taken at -9.8kPa of soil-water matric potential where volume shrinkage typically started to occur....... For WRC in the very decomposed peat soil, the 2RAL saturation exponents (n) obtained for both the wetter (nw) and drier regions (nd) were smaller than those for the less decomposed peat. For Dg, the saturation exponent in the wetter region was larger than that in the drier one for all layers, which...
Transport properties of gaseous ions over a wide energy range. Part III
International Nuclear Information System (INIS)
Ellis, H.W.; Thackston, M.G.; McDaniel, E.W.; Mason, E.A.
1984-01-01
This paper updates and extends in scope our two previous papers entitled ''Transport Properties of Gaseous Ions over a Wide Energy Range.'' The references to the earlier publications (referred to as ''Part I'' and ''Part II'') are I, H. W. Ellis, R. Y. Pai, E. W. McDonald, E. A. Mason, and L. A. Viehland, ATOMIC DATA AND NUCLEAR DATA TABLES 17, 177--210 (19876); and II, H. W. Ellis, E. W. McDaniel, D. L. Albritton, L. A. Veihland, S. L. Lin, and E. A. Mason, ATOMIC DATA AND NUCLEAR DATA TABLES 22, 179--217 (1978). Parts I and II contained compilations of experimental data on ionic mobilities and diffusion coefficients (both longitudinal and transverse) for ions in neutral gase (almost exclusively at room temperature) in an externally applied electric field
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
Energy Technology Data Exchange (ETDEWEB)
Widestrand, Henrik; Byegaard, Johan [Geosigma AB, Kungaelv (Sweden); Ohlsson, Yvonne [SWECO VIAK AB, Stockholm (Sweden); Tullborg, Eva-Lena [Terralogica AB, Graabo (Sweden)
2003-06-01
This report comprises a strategy for the handling of laboratory investigations of diffusivity and sorption characteristics within the discipline-specific programme 'Transport Properties of the Rock' in the SKB site investigations. The aim of the transport programme is to investigate the solute transport properties at a site in order to acquire data that are required for an assessment of the long-term performance and radiological safety of the deep repository. The result of the transport programme is the Transport Properties Site Descriptive Model, i.e. a description of the site-specific properties for the transport of solutes in the groundwater at a site. A strategy for the methodology, control of sampling and characterisation programme and interpretation of the results, is proposed. The basis for the laboratory investigations is a conceptual geological model based on the geological model produced in the geology programme. Major and minor types of rock and fractures are defined and characterised according to the quality of the general database and site-specific needs. The selection of samples and analyses is determined in close co-operation with the geology, hydrogeology, hydrogeochemistry and rock mechanics programmes. The result of the laboratory investigations is a retardation model, which is used as an input in the Transport Properties Site Descriptive Model. The interpretation and production of a retardation model is described and exemplified. Lastly, method-specific strategies and recommendations are given, including strategies for the selection of tracers in the experiments and for the treatment of the sampled geologic materials.
International Nuclear Information System (INIS)
Kostela, J.; Elmgren, M.; Almgren, M.
2005-01-01
The objective of this study was to investigate the electrochemical behaviour of the divalent redox active surfactant, N-cetyl-N'-methylviologen (CMV), in bicontinuous cubic and lamellar phases. The liquid crystalline phases were prepared from the system glycerolmonooleate (GMO)-water (and brine)-cationic surfactant. A comparison of the phase behaviour of GMO with the monovalent cetyltrimethylammonium bromide (CTAB) and the divalent CMV surfactant showed that the surfactants gave about the same effect at the same surface charge density. The electrochemical measurements were made with a mixture of CTAB and CMV as the surfactant. Cyclic voltammetry was used to study the electrochemistry of CMV incorporated in the cubic and lamellar phases that were spread on a gold electrode. The E 0 -values in the cubic samples were more negative (-0.55 V versus SCE) than in the lamellar samples (-0.53 V versus SCE). This can be explained by the higher charge density in the lamellar phase. The diffusion coefficients were also measured in the cubic phase. The mass transport is slowed down about fifty times in the cubic phase compared to in the pure electrolyte. The concentration dependence on the diffusion coefficient was also investigated. No electron hopping could be observed, which suggest that diffusional movement of the redox probe is the main source of charge transport. By placing the samples on a conducting glass slide, spectroelectrochemical investigations were performed. In the lamellar phase strong dimerization was detected at high concentration of viologen, but much less in the cubic phase
Flow, transport and diffusion in random geometries I: a MLMC algorithm
Canuto, Claudio
2015-01-07
Multilevel Monte Carlo (MLMC) is an efficient and flexible solution for the propagation of uncertainties in complex models, where an explicit parametrization of the input randomness is not available or too expensive. We propose a general-purpose algorithm and computational code for the solution of Partial Differential Equations (PDEs) on random geoemtry and with random parameters. We make use of the key idea of MLMC, based on different discretization levels, extending it in a more general context, making use of a hierarchy of physical resolution scales, solvers, models and other numerical/geometrical discretization parameters. Modifications of the classical MLMC estimators are proposed to further reduce variance in cases where analytical convergence rates and asymptotic regimes are not available. Spheres, ellipsoids and general convex-shaped grains are placed randomly in the domain with different placing/packing algorithms and the effective properties of the heterogeneous medium are computed. These are, for example, effective diffusivities, conductivities, and reaction rates. The implementation of the Monte-Carlo estimators, the statistical samples and each single solver is done efficiently in parallel.
A study of atmospheric diffusion from the LANDSAT imagery. [pollution transport over the ocean
Dejesusparada, N. (Principal Investigator); Viswanadham, Y.; Torsani, J. A.
1981-01-01
LANDSAT multispectral scanner data of the smoke plumes which originated in eastern Cabo Frio, Brazil and crossed over into the Atlantic Ocean, are analyzed to illustrate how high resolution LANDSAT imagery can aid meteorologists in evaluating specific air pollution events. The eleven LANDSAT images selected are for different months and years. The results show that diffusion is governed primarily by water and air temperature differences. With colder water, low level air is very stable and the vertical diffusion is minimal; but water warmer than the air induces vigorous diffusion. The applicability of three empirical methods for determining the horizontal eddy diffusivity coefficient in the Gaussian plume formula was evaluated with the estimated standard deviation of the crosswind distribution of material in the plume from the LANDSAT imagery. The vertical diffusion coefficient in stable conditions is estimated using Weinstock's formulation. These results form a data base for use in the development and validation of meso scale atmospheric diffusion models.
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.)
International Nuclear Information System (INIS)
Gerhauser, H.
1980-02-01
Two superimposed miscible liquids are separated by a diffuse boundary layer providing a steady transition of density. If the heavy fluid is on top of the light one, Rayleigh-Taylor-instabilities develop and cause a rapid interchange and eventually an intermixing. This process can be subjected to dynamic stabilization by enforcing vertical oscillations upon the whole system. However, since only part of the unstable mode spectrum is completely stabilized, the remaining weakly unstable modes lead to turbulent transport processes through the boundary layer ('anomalous diffusion'), so that only a quasistationary equilibrium is achieved. In the present paper, previous experimental results on the dynamic stabilization of water superimposed by an aqueous ZnJ-solution are theoretically interpreted, and the observed spatial structure as well as the time development of the density profiles are explained. There exists an analogy between these phenomena and turbulent transport processes in tokamak discharges such as the sawtooth oscillations of internal disruptions. (orig.) [de
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.
Zhao, Rong; Ahktar, Meysam; Alruqi, Adel; Dharmasena, Ruchira; Jasinski, Jacek B.; Thantirige, Rukshan M.; Sumanasekera, Gamini U.
2017-05-01
In this work, we report the electrical transport properties of uniform and vertically oriented graphene (graphene nanowalls) directly synthesized on multiple substrates including glass, Si/SiO2 wafers, and copper foils using radio-frequency plasma enhanced chemical vapor deposition (PECVD) with methane (CH4) as the precursor at relatively low temperatures. The temperature for optimum growth was established with the aid of transmission electron microscopy, scanning electron microscopy, and Raman spectroscopy. This approach offers means for low-cost graphene nanowalls growth on an arbitrary substrate with the added advantage of transfer-free device fabrication. The temperature dependence of the electrical transport properties (resistivity and thermopower) were studied in the temperature range, 30-300 K and analyzed with a combination of 2D-variable range hopping (VRH) and thermally activated (TA) conduction mechanisms. An anomalous temperature dependence of the thermopower was observed for all the samples and explained with a combination of a diffusion term having a linear temperature dependence plus a term with an inverse temperature dependence.
Ionic structures and transport properties of hot dense W and U plasmas
Hou, Yong; Yuan, Jianmin
2016-10-01
We have combined the average-atom model with the hyper-netted chain approximation (AAHNC) to describe the electronic and ionic structure of uranium and tungsten in the hot dense matter regime. When the electronic structure is described within the average-atom model, the effects of others ions on the electronic structure are considered by the correlation functions. And the ionic structure is calculated though using the hyper-netted chain (HNC) approximation. The ion-ion pair potential is calculated using the modified Gordon-Kim model based on the electronic density distribution in the temperature-depended density functional theory. And electronic and ionic structures are determined self-consistently. On the basis of the ion-ion pair potential, we perform the classical (CMD) and Langevin (LMD) molecular dynamics to simulate the ionic transport properties, such as ionic self-diffusion and shear viscosity coefficients, through the ionic velocity correlation functions. Due that the free electrons become more and more with increasing the plasma temperature, the influence of the electron-ion collisions on the transport properties become more and more important.
Guruswamy, B.; Ravindrachary, V.; Shruthi, C.; Hegde, Shreedatta; Sagar, Rohan N.
2018-04-01
ZnO nano particles were synthesized using a chemical precipitation method. Pure and ZnO nano particle doped PVA-NaAlg blend composite films were prepared using solution casing method. Structural information of these composites was studied using FTIR. Diffusion kinetics of these polymer blend composite were studied using Flory-Huggins theory. Using these diffusion studies, cross-linking density and swelling properties of the films were analyzed. Mechanical properties of these composite are also studied.
Briggs, S. A.; Sleep, B. E.; McKelvie, J. R. M.; Krol, M.
2015-12-01
Bentonite is a naturally occurring clay-rich sediment containing montmorillonite, a smectitic clay mineral that has a high cation exchange capacity and swells upon contact with water. Owing to these characteristics, highly compacted bentonite (HCB) is an often included component of engineered barrier systems (EBS) designed to protect used fuel containers (UFCs) in deep geological repositories (DGR) for high-level nuclear waste. The low water activity and high swelling pressure of HCB suppresses microbial activity and the related production of sulphide that could cause microbiologically influenced corrosion (MIC) of UFCs The Canadian Nuclear Waste Management Organization (NWMO) has chosen a UFC that consists of an inner steel core and outer copper coating which is resistant to corrosion. However, under anaerobic conditions, MIC can still contribute to UFC corrosion if sulphides are present in the groundwater. Therefore the EBS consisting of bentonite blocks and pellets has been designed to impede the movement of sulphides to the UFC. In order to examine the effectiveness of the EBS, a 3D numerical model was developed capable of simulating the diffusive transport of sulphide within the NWMO EBS. The model was developed using COMSOL Multiphysics, a finite element software package and is parametric which allows the impact of different repository layouts to be assessed. The developed model was of the entire NWMO placement room, as well as, a stand-alone UFC and included conservative assumptions such as a fully saturated system and a constant concentration boundary condition. The results showed that the highest sulphide flux occurred at the semi-spherical end caps of the UFC. Further studies examined the effect of sulphide hotspots and fractures, representing possible EBS failure mechanisms. The model results highlight that even with conservative assumptions the chosen EBS will effectively protect the UFC from microbiologically influenced corrosion.
Horváth, Barbara; Kawakita, Jin; Chikyow, Toyohiro
2014-06-25
This paper describes the interface reactions and diffusion between silver/polypyrrole (Ag/PPy) composite and silicon substrate. This composite material can be used as a novel technique for 3D-LSI (large-scale integration) by the fast infilling of through-silicon vias (TSV). By immersion of the silicon wafer with via holes into the dispersed solution of Ag/PPy composite, the holes are filled with the composite. It is important to develop a layer between the composite and the Si substrate with good diffusion barrier and adhesion characteristics. In this paper, SiOx and two types of SiOxNy barrier layers with various thicknesses were investigated. The interface structure between the Si substrate, the barrier, and the Ag/PPy composite was characterized by transmission electron microscopy. The adhesion and diffusion properties of the layers were established for Ag/PPy composite. Increasing thickness of SiOx proved to permit less Ag to transport into the Si substrate. SiOxNy barrier layers showed very good diffusion barrier characteristics; however, their adhesion depended strongly on their composition. A barrier layer composition with good adhesion and Ag barrier properties has been identified in this paper. These results are useful for filling conductive metal/polymer composites into TSV.
Energy Technology Data Exchange (ETDEWEB)
Erckmann, V; Gasparino, U; Giannone, L. (Max-Planck-Institut fuer Plasmaphysik, Garching (Germany)) (and others)
1992-01-01
ECRH power modulation experiments in toroidal devices offer the chance to analyze the electron heat transport more conclusively: the electron heat wave propagation can be observed by ECE (or SX) leading to radial profiles of electron temperature modulation amplitude and time delay (phase shift). Taking also the stationary power balance into account, the local electron heat transport can be modelled by a combination of diffusive and convective transport terms. This method is applied to ECRH discharges in the W7-AS stellarator (B=2.5T, R=2m, a[<=]18 cm) where the ECRH power deposition is highly localized. In W7-AS, the T[sub e] modulation profiles measured by a high resolution ECE system are the basis for the local transport analysis. As experimental errors limit the separation of diffusive and convective terms in the electron heat transport for central power deposition, also ECRH power modulation experiments with off-axis deposition and inward heat wave propagation were performed (with 70 GHz o-mode as well as with 140 GHz x-mode for increased absorption). Because collisional electron-ion coupling and radiative losses are only small, low density ECRH discharges are best candidates for estimating the electron heat flux from power balance. (author) 2 refs., 3 figs.
International Nuclear Information System (INIS)
Alonso-Vargas, G.
1991-01-01
A computer program has been developed which uses a technique of synthetic acceleration by diffusion by analytical schemes. Both in the diffusion equation as in that of transport, analytical schemes were used which allowed a substantial time saving in the number of iterations required by source iteration method to obtain the K e ff. The program developed ASD (Synthetic Diffusion Acceleration) by diffusion was written in FORTRAN and can be executed on a personal computer with a hard disc and mathematical O-processor. The program is unlimited as to the number of regions and energy groups. The results obtained by the ASD program for K e ff is nearly completely concordant with those of obtained utilizing the ANISN-PC code for different analytical type problems in this work. The ASD program allowed obtention of an approximate solution of the neutron transport equation with a relatively low number of internal reiterations with good precision. One of its applications would be in the direct determinations of axial distribution neutronic flow in a fuel assembly as well as in the obtention of the effective multiplication factor. (Author)
Influence of the Solar Cycle on Turbulence Properties and Cosmic-Ray Diffusion
Zhao, L.-L.; Adhikari, L.; Zank, G. P.; Hu, Q.; Feng, X. S.
2018-04-01
The solar cycle dependence of various turbulence quantities and cosmic-ray (CR) diffusion coefficients is investigated by using OMNI 1 minute resolution data over 22 years. We employ Elsässer variables z ± to calculate the magnetic field turbulence energy and correlation lengths for both the inwardly and outwardly directed interplanetary magnetic field (IMF). We present the temporal evolution of both large-scale solar wind (SW) plasma variables and small-scale magnetic fluctuations. Based on these observed quantities, we study the influence of solar activity on CR parallel and perpendicular diffusion using quasi-linear theory and nonlinear guiding center theory, respectively. We also evaluate the radial evolution of the CR diffusion coefficients by using the boundary conditions for different solar activity levels. We find that in the ecliptic plane at 1 au (1), the large-scale SW temperature T, velocity V sw, Alfvén speed V A , and IMF magnitude B 0 are positively related to solar activity; (2) the fluctuating magnetic energy density , residual energy E D , and corresponding correlation functions all have an obvious solar cycle dependence. The residual energy E D is always negative, which indicates that the energy in magnetic fluctuations is larger than the energy in kinetic fluctuations, especially at solar maximum; (3) the correlation length λ for magnetic fluctuations does not show significant solar cycle variation; (4) the temporally varying shear source of turbulence, which is most important in the inner heliosphere, depends on the solar cycle; (5) small-scale fluctuations may not depend on the direction of the background magnetic field; and (6) high levels of SW fluctuations will increase CR perpendicular diffusion and decrease CR parallel diffusion, but this trend can be masked if the background IMF changes in concert with turbulence in response to solar activity. These results provide quantitative inputs for both turbulence transport models and CR
International Nuclear Information System (INIS)
Cunill Rodriguez, Margarita; Delgado Atencio, Jose Alberto; Castro Ramos, Jorge; Vazquez y Montiel, Sergio
2009-01-01
There are several methods to obtain the optical parameters of biological tissues from the measurement of spatially resolved diffuse reflectance. One of them is well-known as Video Reflectometry in which a camera CCD is used as detection and recording system of the lateral distribution of diffuse reflectance Rd(r) when an infinitely narrow light beam impinges on the tissue. In this paper, we present an algorithm that we have developed for the calibration and application of an experimental set-up of Video Reflectometry destined to extract the optical properties of models of biological tissues with optical properties similar to the human skin. The results of evaluation of the accuracy of the algorithm for optical parameters extraction is shown for a set of proofs reflectance curves with known values of these parameters. In the generation of these curves the simulation of measurement errors was also considered. The results show that it is possible to extract the optical properties with an accuracy error of less than 1% for all the proofs curves. (Author)
Efficient calculation of dissipative quantum transport properties in semiconductor nanostructures
Energy Technology Data Exchange (ETDEWEB)
Greck, Peter
2012-11-26
We present a novel quantum transport method that follows the non-equilibrium Green's function (NEGF) framework but side steps any self-consistent calculation of lesser self-energies by replacing them by a quasi-equilibrium expression. We termed this method the multi-scattering Buettiker-Probe (MSB) method. It generalizes the so-called Buettiker-Probe model but takes into account all relevant individual scattering mechanisms. It is orders of magnitude more efficient than a fully selfconsistent non-equilibrium Green's function calculation for realistic devices, yet accurately reproduces the results of the latter method as well as experimental data. This method is fairly easy to implement and opens the path towards realistic three-dimensional quantum transport calculations. In this work, we review the fundamentals of the non-equilibrium Green's function formalism for quantum transport calculations. Then, we introduce our novel MSB method after briefly reviewing the original Buettiker-Probe model. Finally, we compare the results of the MSB method to NEGF calculations as well as to experimental data. In particular, we calculate quantum transport properties of quantum cascade lasers in the terahertz (THz) and the mid-infrared (MIR) spectral domain. With a device optimization algorithm based upon the MSB method, we propose a novel THz quantum cascade laser design. It uses a two-well period with alternating barrier heights and complete carrier thermalization for the majority of the carriers within each period. We predict THz laser operation for temperatures up to 250 K implying a new temperature record.
International Nuclear Information System (INIS)
Song Yicheng; Zhang Junqian; Shao Xianjun; Guo Zhansheng
2013-01-01
This work investigates the stress-assisted diffusion of lithium ions in layered electrodes of Li-ion batteries. Decoupled diffusion governing equations are obtained. Material properties, which are characterized by a single dimensionless parameter, and mechanical constraint between a current collector and an active layer, which is characterized by the elastic modulus ratio and thickness ratio between the layers, are identified as key factors that govern the stress-assisted diffusion. For a symmetric plate electrode, stress is induced by the Li-ion concentration gradient, and stress-assisted diffusion therefore depends only on the material properties. For an asymmetric bilayer electrode, mechanical constraint plays a very important role in the diffusion via generation of bending stress. Diffusion may be facilitated, or inversely impeded, according to the constraint. By summarizing the coupling factors of common active materials and investigating the concentration variation induced by stress-assisted diffusion in various electrodes, this work provides insights on stress-assisted diffusion in a layered electrode, as well as suggestions for relevant modelling works on whether the stress-assisted diffusion should be taken into account according to the selection of material and structure. (paper)
Liu, Lin; Zheng, Liancun; Liu, Fawang; Zhang, Xinxin
2016-09-01
An improved Cattaneo-Christov flux model is proposed which can be used to capture the effects of the time and spatial relaxations, the time and spatial inhomogeneous diffusion and the spatial transition probability of cell transport in a highly non-homogeneous medium. Solutions are obtained by numerical discretization method where the time and spatial fractional derivative are discretized by the L1-approximation and shifted Grünwald definition, respectively. The solvability, stability and convergence of the numerical method for the special case of the Cattaneo-Christov equation are proved. Results indicate that the fractional convection diffusion-wave equation is an evolution equation which displays the coexisting characteristics of parabolicity and hyperbolicity. In other words, for α in (0, 1), the cells transport occupies the characteristics of coupling convection diffusion and wave spreading. Moreover, the effects of pertinent time parameter, time and spatial fractional derivative parameters, relaxation parameter, weight coefficient and the convection velocity on the anomalous transport of cells are shown graphically and analyzed in detail.
Energy Technology Data Exchange (ETDEWEB)
Taylor, F.G.; Hanna, S.R.; Parr, P.D.
1979-01-01
The transfer and fate of chromium from cooling tower drift to terrestrial ecosystems were quantified at the Department of Energy's uranium enrichment facility at Paducah, Kentucky. Chromium concentrations in plant materials (fescue grass) decreased with increasing distance from the cooing tower, ranging from 251 +- 19 ppM at 15 meters to 0.52 +- 0.07 ppM at 1500 meters. The site of drift contamination, size characteristics, and elemental content of drift particles were determined using a scanning electron microscope with energy dispersive x-ray analysis capabilities. Results indicate that elemental content in drift water (mineral residue) may not be equivalent to the content in the recirculating cooling water of the tower. This hypothesis is contrary to basic assumptions in calculating drift emissions. A laboratory study simulating throughfall from 1 to 6 inches of rain suggested that there are more exchange sites associated with litter than live foliage. Leachate from each one inch throughfall simulant removed 3% of the drift mass from litter compared to 7 to 9% from live foliage. Results suggest that differences in retention are related to chemical properties of the drift rather than physical lodging of the particle residue. To determine the potential for movement of drift-derived chromium to surface streams, soil--water samplers (wells) were placed along a distance gradient to Little Bayou Creek. Samples from two depths following rainstorms revealed the absence of vertical or horizontal movement with maximum concentrations of 0.13 ppb at 50 meters from the tower. Preliminary model estimates of drift deposition are compared to depositionmeasurements. Isopleths of the predicted deposition are useful to identify areas of maximum drift transport in the environs of the gaseous diffusion plant.
Cross Sections and Transport Properties of BR- Ions in AR
Jovanovic, Jasmina; Stojanovic, Vladimir; Raspopovic, Zoran; Petrovic, Zoran
2014-10-01
We have used a combination of a simple semi-analytic theory - Momentum Transfer Theory (MTT) and exact Monte Carlo (MC) simulations to develop Br- in Ar momentum transfer cross section based on the available data for reduced mobility at the temperature T = 300 K over the range 10 Td higher energies based on behavior of similar ions in similar gases and by the addition of the total detachment cross section that was used from the threshold around 7.7 eV. Relatively complete set was derived which can be used in modeling of plasmas by both hybrid, particle in cell (PIC) and fluid codes. A good agreement between calculated and measured ion mobilities and longitudinal diffusion coefficients is an independent proof of the validity of the cross sections that were derived for the negative ion mobility data. In addition to transport coefficients we have also calculated the net rate coefficients of elastic scattering and detachment. Author acknowledge Ministry of Education, Science and Technology, Proj. Nos. 171037 and 410011.
Preparation and transport properties of novel lithium ionic liquids
International Nuclear Information System (INIS)
Shobukawa, Hitoshi; Tokuda, Hiroyuki; Tabata, Sei-Ichiro; Watanabe, Masayoshi
2004-01-01
Novel lithium salts of borates having two electron-withdrawing groups (either 1,1,1,3,3,3-hexafluoro-2-propoxy or pentafluorophenoxy group) and two methoxy-oligo(ethylene oxide) groups (number of repeating unit: n = 3, 4, 7.2) were prepared by successive substitution-reactions from LiBH 4 . The obtained lithium salts were clear and colorless liquids at room temperature. The density, thermal property, viscosity, and ionic conductivity were measured for the lithium ionic liquids. The pulsed-gradient spin-echo NMR (PGSE-NMR) method was used to independently determine self-diffusion coefficients of the lithium cation ( 7 Li NMR) and the anion ( 19 F NMR) in the bulk. The ionic conductivity of the new lithium salts was 10 -5 to 10 -4 S cm -1 at 30 deg. C, which was lower than that of typical ionic liquids by two orders of magnitude. However, the degree of self-dissociation of the lithium ionic liquids; the ratio of the molar conductivity determined by the complex impedance method to that calculated from the self-diffusion coefficients and the Nernst-Einstein equation, ranged from 0.1 to 0.4, which are comparable values to those of a highly dissociable salt in an aprotic polar solvent and of typical ionic liquids. The main reason for the meager conductivity was high viscosities of the lithium ionic liquids. It should be noted that the lithium ionic liquids have self-dissociation ability and conduct the ions in the absence of organic solvents
International Nuclear Information System (INIS)
Wasserburg, G.J.
1991-01-01
This report consists of sections entitled resonance ionization mass spectrometry of Os, Mg self-diffusion in spinel and silicate melts, neotectonics: U-Th ages of solitary corals from the California coast, uranium-series evidence on diagenesis and hydrology of carbonates of Barbados, diffusion of H 2 O molecules in silicate glasses, and development of an extremely high abundance sensitivity mass spectrometer
Uhlhorn, R.J.R.; Uhlhorn, R.J.R.; Keizer, Klaas; Burggraaf, Anthonie; Burggraaf, A.J.
1992-01-01
Multilayer diffusion and capillary condensation of propylene on supported γ-alumina films greatly improved the permeability and selectivity. Multilayer diffusion, occurring at relative pressures of 0.4 to 0.8 strongly increased the permeability of 6 times the Knudsen permeability, yielding
International Nuclear Information System (INIS)
Turgut, M.H.
1985-01-01
A fast calculation program ''BRIDGE'' was developed for the calculation of a Cold Neutron Source (CNS) at a radial beam tube of the FRG-I reactor, which couples a total assembly diffusion calculation to a transport calculation for a certain subregion. For the coupling flux and current boundary values at the common surfaces are taken from the diffusion calculation and are used as driving conditions in the transport calculation. 'Equivalence Theorie' is used for the transport feedback effect on the diffusion calculation to improve the consistency of the boundary values. The optimization of a CNS for maximizing the subthermal flux in the wavelength range 4 - 6 A is discussed. (orig.) [de
Allen, Rebecca
2011-05-01
An increase in the earth’s surface temperature has been directly linked to the rise of carbon dioxide (CO2) levels In the atmosphere and an enhanced greenhouse effect. CO2 sequestration is one of the proposed mitigation Strategies in the effort to reduce atmospheric CO2 concentrations. Globally speaking, saline aquifers provide an adequate storage capacity for the world’s carbon emissions, and CO2 sequestration projects are currently underway in countries such as Norway, Germany, Japan, USA, and others. Numerical simulators serve as predictive tools for CO2 storage, yet must model fluid transport behavior while coupling different transport processes together accurately. With regards to CO2 sequestration, an extensive amount of research has been done on the diffusive-convective transport that occurs under a cap of CO2-saturated fluid, which results after CO2 is injected into an aquifer and spreads laterally under an area of low permeability. The diffusive-convective modeling reveals an enhanced storage capacity in saline aquifers, due to the density increase between pure fluid and CO2‐saturated fluid. This work presents the transport modeling equations that are used for diffusive- convective modeling. A cell-centered finite difference method is used, and simulations are run using MATLAB. Two cases are explored in order to compare the results from this work’s self-generated code with the results published in literature. Simulation results match relatively well, and the discrepancy for a delayed onset time of convective transport observed in this work is attributed to numerical artifacts. In fact, onset time in this work is directly attributed to the instability of the physical system: this instability arises from non-linear coupling of fluid flow, transport, and convection, but is triggered by numerical errors in these simulations. Results from this work enable the computation of a value for the numerical constant that appears in the onset time equation that
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.
First-principles study of the stability and diffusion properties of hydrogen in zirconium carbide
Energy Technology Data Exchange (ETDEWEB)
Yang, Xiao-Yong [Institute of Applied Physics and Computational Mathematics, Beijing 100088 (China); Lu, Yong [Institute of Applied Physics and Computational Mathematics, Beijing 100088 (China); Beijing Computational Science Research Center, Beijing 100084 (China); Zhang, Ping, E-mail: zhang_ping@iapcm.ac.cn [Institute of Applied Physics and Computational Mathematics, Beijing 100088 (China)
2016-10-15
The stability and diffusion properties of interstitial hydrogen atom in bulk ZrC have been investigated by first-principles calculations. In energy, hydrogen atoms prefer to occupy the carbon substitutional site (C-SS) with a negative formation energy, consistent with the experimental observations. In the C-SS, the hydrogen atom obtains 0.702 electrons from its 1 NN Zr atoms, tending to achieve the most stable 1s{sup 2} electronic state. Two hydrogen atoms in the same tetrahedral interstitial site are able to form a pairing cluster along the 〈110〉 direction with the H−H pair equilibrium distance of 1.30 Å, nearly twice the length of H{sub 2} bond, suggesting a relatively weak interaction between the H−H pair. The diffusion energy barriers of hydrogen in pure and vacancy pre-existing ZrC matrix are calculated. It is found that the presence of native vacancies will capture the hydrogen atoms due to the large energy barrier to jump out the vacancy. Furthermore, the temperature-dependent diffusion coefficients of interstitial hydrogen, deuterium, and tritium in ZrC are predicted using the transition state theory.
Directory of Open Access Journals (Sweden)
Stefan Habisch
2018-02-01
Full Text Available Diffusion bonding is a well-known technology for a wide range of advanced joining applications, due to the possibility of bonding different materials within a defined temperature-time-contact pressure regime in solid state. For this study, aluminium alloys AA 6060, AA 6082, AA 7020, AA 7075 and magnesium alloy AZ 31 B are used to produce dissimilar metal joints. Titanium and silver were investigated as interlayer materials. SEM and EDXS-analysis, micro-hardness measurements and tensile testing were carried out to examine the influence of the interlayers on the diffusion zone microstructures and to characterize the joint properties. The results showed that the highest joint strength of 48 N/mm2 was reached using an aluminium alloy of the 6000 series with a titanium interlayer. For both interlayer materials, intermetallic Al-Mg compounds were still formed, but the width and the level of hardness across the diffusion zone was significantly reduced compared to Al-Mg joints without interlayer.
Plessis, S.; McDougall, D.; Mandt, K.; Greathouse, T.; Luspay-Kuti, A.
2015-11-01
Bimolecular diffusion coefficients are important parameters used by atmospheric models to calculate altitude profiles of minor constituents in an atmosphere. Unfortunately, laboratory measurements of these coefficients were never conducted at temperature conditions relevant to the atmosphere of Titan. Here we conduct a detailed uncertainty analysis of the bimolecular diffusion coefficient parameters as applied to Titan's upper atmosphere to provide a better understanding of the impact of uncertainty for this parameter on models. Because temperature and pressure conditions are much lower than the laboratory conditions in which bimolecular diffusion parameters were measured, we apply a Bayesian framework, a problem-agnostic framework, to determine parameter estimates and associated uncertainties. We solve the Bayesian calibration problem using the open-source QUESO library which also performs a propagation of uncertainties in the calibrated parameters to temperature and pressure conditions observed in Titan's upper atmosphere. Our results show that, after propagating uncertainty through the Massman model, the uncertainty in molecular diffusion is highly correlated to temperature and we observe no noticeable correlation with pressure. We propagate the calibrated molecular diffusion estimate and associated uncertainty to obtain an estimate with uncertainty due to bimolecular diffusion for the methane molar fraction as a function of altitude. Results show that the uncertainty in methane abundance due to molecular diffusion is in general small compared to eddy diffusion and the chemical kinetics description. However, methane abundance is most sensitive to uncertainty in molecular diffusion above 1200 km where the errors are nontrivial and could have important implications for scientific research based on diffusion models in this altitude range.
Interface disorder and transport properties in HTC/CMR superlattices
Energy Technology Data Exchange (ETDEWEB)
Haberkorn, N.; Guimpel, J.; Sirena, M.; Steren, L.B.; Campillo, G.; Saldarriaga, W.; Gomez, M.E
2004-08-01
The physical properties of superlattices are affected by interface disorder, like roughness and interdiffusion. X-ray diffraction allows its measurement through modeling and structure refinement. The high-T{sub c} RBa{sub 2}Cu{sub 3}O{sub 7} (RBCO) and colossal magnetoresistance La{sub x}A{sub 1-x}MnO{sub 3} (LAMO) perovskites are interesting superlattice partners given their similar lattice parameters and because the combination of magnetic and superconducting properties is interesting for both basic and applied research. We have investigated the structural and transport properties of YBCO/La{sub 2/3}Ca{sub 1/3}MnO{sub 3} and GdBCO/La{sub 0.6}Sr{sub 0.04}MnO{sub 3} superlattices grown by sputtering on (1 0 0)MgO. We find a roughness of 1 RBCO unit cell and a 30% interdiffusion in the same length from the interfaces for all samples. The superconducting behavior is found strongly dependent on the LAMO layer thickness.
Density scaling of the transport properties of molecular and ionic liquids.
López, Enriqueta R; Pensado, Alfonso S; Comuñas, María J P; Pádua, Agílio A H; Fernández, Josefa; Harris, Kenneth R
2011-04-14
Casalini and Roland [Phys. Rev. E 69, 062501 (2004); J. Non-Cryst. Solids 353, 3936 (2007)] and other authors have found that both the dielectric relaxation times and the viscosity, η, of liquids can be expressed solely as functions of the group (TV (γ)), where T is the temperature, V is the molar volume, and γ a state-independent scaling exponent. Here we report scaling exponents γ, for the viscosities of 46 compounds, including 11 ionic liquids. A generalization of this thermodynamic scaling to other transport properties, namely, the self-diffusion coefficients for ionic and molecular liquids and the electrical conductivity for ionic liquids is examined. Scaling exponents, γ, for the electrical conductivities of six ionic liquids for which viscosity data are available, are found to be quite close to those obtained from viscosities. Using the scaling exponents obtained from viscosities it was possible to correlate molar conductivity over broad ranges of temperature and pressure. However, application of the same procedures to the self-diffusion coefficients, D, of six ionic and 13 molecular liquids leads to superpositioning of poorer quality, as the scaling yields different exponents from those obtained with viscosities and, in the case of the ionic liquids, slightly different values for the anion and the cation. This situation can be improved by using the ratio (D∕T), consistent with the Stokes-Einstein relation, yielding γ values closer to those of viscosity.
Transport properties of gaseous ions over a wide energy range, IV
International Nuclear Information System (INIS)
Viehland, L.A.; Mason, E.A.
1995-01-01
This paper updates three previous papers entitled open-quotes Transport Properties of Gaseous Ions over a Wide Energy Range.close quotes. These papers referred to as Parts I, II, and III, were by H.W.Ellis, P.Y. Pai, E.W. McDaniel, E.A. Mason, and L.A. Viehland, S.L. Lin, M.G. Thackston. Part IV contains compilations of experimental data on ionic mobilities and diffusion coefficients (both longitudinal and transverse) for ions in neutral gases in an externally applied electrostatic field, at various gas temperatures; the data are tabulated as a function of the ionic energy parameter E/N, where E is the electric field strength and N is the number density of the neutral gas. Part IV also contains a locator key to ionic mobilities and diffusion coefficients compiled in Parts I-IV. The coverage of the literature extends into 1994. The criteria for selection of the data are; (1) the measurements must cover a reasonably wide range of E/N; (2) the identity of the ions must be well established; and (3) the accuracy of the data must be good. 26 refs., 6 tabs
Directory of Open Access Journals (Sweden)
Daniel Felix Schaffhauser
Full Text Available An integrated microdevice for measuring proton-dependent membrane activity at the surface of Xenopus laevis oocytes is presented. By establishing a stable contact between the oocyte vitelline membrane and an ion-sensitive field-effect (ISFET sensor inside a microperfusion channel, changes in surface pH that are hypothesized to result from facilitated proton lateral diffusion along the membrane were detected. The solute diffusion barrier created between the sensor and the active membrane area allowed detection of surface proton concentration free from interference of solutes in bulk solution. The proposed sensor mechanism was verified by heterologously expressing membrane transport proteins and recording changes in surface pH during application of the specific substrates. Experiments conducted on two families of phosphate-sodium cotransporters (SLC20 & SLC34 demonstrated that it is possible to detect phosphate transport for both electrogenic and electroneutral isoforms and distinguish between transport of different phosphate species. Furthermore, the transport activity of the proton/amino acid cotransporter PAT1 assayed using conventional whole cell electrophysiology correlated well with changes in surface pH, confirming the ability of the system to detect activity proportional to expression level.
International Nuclear Information System (INIS)
Takeda, M.; Hiratsuka, T.; Ito, K.
2009-01-01
Excess fluid pressures induced by chemical osmosis in natural formations may have a significant influence on groundwater systems in a geological time scale. Examinations of the possibility and duration times require characterization of the chemico-osmotic, hydraulic and diffusion properties of representative formation media under field conditions. To develop a laboratory apparatus for chemical osmosis experiments that simulates in-situ conditions, typical litho-static and background pore pressures, a fundamental concept of the chemical osmosis experiment using a closed fluid circuit system (referred to as a closed system hereafter) was revisited. Coupled processes in the experiment were examined numerically. In preliminary experiments at atmospheric pressure a chemical osmosis experiment using the closed system was demonstrated. An approximation method for determining the chemico-osmotic property was attempted. Based on preliminary examinations, an experimental system capable of loading the confining and pore pressures on the sample was thus developed. (authors)
International Nuclear Information System (INIS)
Osintsev, V.D.
1986-01-01
The author studies the effect of operating temperature for equipment in contact sections of sulfuric acid workshops on the structure and mechanical properties of the chromized coatings and core of chromized articles. The ferrite lattice spacing was determined in a DRON-0.5 diffractometer according to the line in copper K /sub alpha/ radiation exposure was carried out after layer-by-layer anodic etching of the coating in an aqueous solution. It was shown that diffusion chromizing may lead to a reduction in strength properties compared with those of unchromized steel. As a base for chromized articles intended for operation at temperatures up to 475 0 C it is desirable to use steels 09G2 or 09G25, or for operation at temperatures up to 540 0 C, steels 12KhM and 12MKh
Energy Technology Data Exchange (ETDEWEB)
Menvie Bekale, V
2007-12-15
Cubic yttria-stabilized zirconia (YSZ) is a promising material as target for the transmutation of radioactive waste. In this context, the present work is dedicated to the study of the atomic transport and the mechanical properties of this ceramic, as well as the influence of irradiation on these properties. The preliminary step concerns the synthesis of YSZ cubic zirconia ceramic undoped and doped with rare earths to form homogeneous Ce-YSZ or Gd-YSZ solid solutions with the highest density. The diffusion experiments of Ce and Gd in YSZ or Ce-YSZ were performed in air from 900 to 1400 C, and the depth profiles were established by SIMS. The bulk diffusion decreases when the ionic radius of diffusing element increases. The comparison with literature data of activation energies for bulk diffusion suggests that the cationic diffusion occurs via a vacancy mechanism. The diffusion results of Ce in YSZ irradiated with 4 or 20 MeV Au ions show a bulk diffusion slowing-down at 1000 and 1100 C when the radiation damage becomes important (30 dpa). The mechanical properties of YSZ ceramics irradiated with 944 MeV Pb ions and non irradiated samples were studied by Vickers micro indentation and Berkovitch nano indentation techniques. The hardness of the material increases when the average grain size decreases. Furthermore, the hardness and the toughness increase with irradiation fluence owing to the occurrence of compressive residual stresses in the irradiated area. (author)
Investigation of transport properties of FeTe compound
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.
Fluid and ionic transport properties of deformed salt rock
International Nuclear Information System (INIS)
Peach, C.J.; Spiers, C.J.; Tankink, A.J.; Zwart, H.J.
1987-01-01
This is a final report on work done on the transport properties of salt during the period 1 January 1984 to 30 June 1985. This work was directed largely at the measurement of creep-induced permeability in salt rock, at determining the permeability persistence/decay characteristics of creep-dilated salt rock under hydrostatic conditions, and at ion migration/retention experiments on both deformed and undeformed material. The permeability work was carried out using both gas (argon) and brine, and involved the design and construction of corresponding permeametry systems for use in conjunction with dilatometric triaxial testing apparatus. Ion migration/retention studies involved the use of contaminant species such as Sr 2+ , Cs + , Fe 3+ and TcO 4
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....
Electronic transport properties of carbon nanotube metal-semiconductor-metal
Directory of Open Access Journals (Sweden)
F Khoeini
2008-07-01
Full Text Available In this work, we study electronic transport properties of a quasi-one dimensional pure semi-conducting Zigzag Carbon Nanotube (CNT attached to semi-infinite clean metallic Zigzag CNT leads, taking into account the influence of topological defect in junctions. This structure may behave like a field effect transistor. The calculations are based on the tight-binding model and Green’s function method, in which the local density of states(LDOS in the metallic section to semi-conducting section, and muli-channel conductance of the system are calculated in the coherent and linear response regime, numerically. Also we have introduced a circuit model for the system and investigated its current. The theoretical results obtained, can be a base, for developments in designing nano-electronic devices.
International Nuclear Information System (INIS)
Dimofte, Andreea; Finlay, Jarod C; Liang Xing; Zhu, Timothy C
2012-01-01
For interstitial photodynamic therapy (PDT), cylindrical diffusing fibers (CDFs) are often used to deliver light. This study examines the feasibility and accuracy of using CDFs to characterize the absorption (μ a ) and reduced scattering (μ′ s ) coefficients of heterogeneous turbid media. Measurements were performed in tissue-simulating phantoms with μ a between 0.1 and 1 cm −1 and μ′ s between 3 and 10 cm −1 with CDFs 2 to 4 cm in length. Optical properties were determined by fitting the measured light fluence rate profiles at a fixed distance from the CDF axis using a heterogeneous kernel model in which the cylindrical diffusing fiber is treated as a series of point sources. The resulting optical properties were compared with independent measurement using a point source method. In a homogenous medium, we are able to determine the absorption coefficient μ a using a value of μ′ s determined a priori (uniform fit) or μ′ s obtained by fitting (variable fit) with standard (maximum) deviations of 6% (18%) and 18% (44%), respectively. However, the CDF method is found to be insensitive to variations in μ′ s , thus requiring a complementary method such as using a point source for determination of μ′ s . The error for determining μ a decreases in very heterogeneous turbid media because of the local absorption extremes. The data acquisition time for obtaining the one-dimensional optical properties distribution is less than 8 s. This method can result in dramatically improved accuracy of light fluence rate calculation for CDFs for prostate PDT in vivo when the same model and geometry is used for forward calculations using the extrapolated tissue optical properties. (paper)
International Nuclear Information System (INIS)
Kaeaeriaeinen, Tommi O.; Maydannik, Philipp; Cameron, David C.; Lahtinen, Kimmo; Johansson, Petri; Kuusipalo, Jurkka
2011-01-01
One of the most promising areas for the industrial application of atomic layer deposition (ALD) is for gas barrier layers on polymers. In this work, a packaging material system with improved diffusion barrier properties has been developed and studied by applying ALD on flexible polymer based packaging materials. Nanometer scale metal oxide films have been applied to polymer-coated papers and their diffusion barrier properties have been studied by means of water vapor and oxygen transmission rates. The materials for the study were constructed in two stages: the paper was firstly extrusion coated with polymer film, which was then followed by the ALD deposition of oxide layer. The polymers used as extrusion coatings were polypropylene, low and high density polyethylene, polylactide and polyethylene terephthalate. Water vapor transmission rates (WVTRs) were measured according to method SCAN-P 22:68 and oxygen transmission rates (O 2 TRs) according to a standard ASTM D 3985. According to the results a 10 nm oxide layer already decreased the oxygen transmission by a factor of 10 compared to uncoated material. WVTR with 40 nm ALD layer was better than the level currently required for most common dry flexible packaging applications. When the oxide layer thickness was increased to 100 nm and above, the measured WVTRs were limited by the measurement set up. Using an ALD layer allowed the polymer thickness on flexible packaging materials to be reduced. Once the ALD layer was 40 nm thick, WVTRs and O 2 TRs were no longer dependent on polymer layer thickness. Thus, nanometer scale ALD oxide layers have shown their feasibility as high quality diffusion barriers on flexible packaging materials.
Energy Technology Data Exchange (ETDEWEB)
Kaeaeriaeinen, Tommi O., E-mail: tommi.kaariainen@lut.f [ASTRaL, Lappeenranta University of Technology, Prikaatinkatu 3 E, 50100 Mikkeli (Finland); Maydannik, Philipp, E-mail: philipp.maydannik@lut.f [ASTRaL, Lappeenranta University of Technology, Prikaatinkatu 3 E, 50100 Mikkeli (Finland); Cameron, David C., E-mail: david.cameron@lut.f [ASTRaL, Lappeenranta University of Technology, Prikaatinkatu 3 E, 50100 Mikkeli (Finland); Lahtinen, Kimmo, E-mail: kimmo.lahtinen@tut.f [Tampere University of Technology, Paper Converting and Packaging Technology, P.O. Box 541, 33101 Tampere (Finland); Johansson, Petri, E-mail: petri.johansson@tut.f [Tampere University of Technology, Paper Converting and Packaging Technology, P.O. Box 541, 33101 Tampere (Finland); Kuusipalo, Jurkka, E-mail: jurkka.kuusipalo@tut.f [Tampere University of Technology, Paper Converting and Packaging Technology, P.O. Box 541, 33101 Tampere (Finland)
2011-03-01
One of the most promising areas for the industrial application of atomic layer deposition (ALD) is for gas barrier layers on polymers. In this work, a packaging material system with improved diffusion barrier properties has been developed and studied by applying ALD on flexible polymer based packaging materials. Nanometer scale metal oxide films have been applied to polymer-coated papers and their diffusion barrier properties have been studied by means of water vapor and oxygen transmission rates. The materials for the study were constructed in two stages: the paper was firstly extrusion coated with polymer film, which was then followed by the ALD deposition of oxide layer. The polymers used as extrusion coatings were polypropylene, low and high density polyethylene, polylactide and polyethylene terephthalate. Water vapor transmission rates (WVTRs) were measured according to method SCAN-P 22:68 and oxygen transmission rates (O{sub 2}TRs) according to a standard ASTM D 3985. According to the results a 10 nm oxide layer already decreased the oxygen transmission by a factor of 10 compared to uncoated material. WVTR with 40 nm ALD layer was better than the level currently required for most common dry flexible packaging applications. When the oxide layer thickness was increased to 100 nm and above, the measured WVTRs were limited by the measurement set up. Using an ALD layer allowed the polymer thickness on flexible packaging materials to be reduced. Once the ALD layer was 40 nm thick, WVTRs and O{sub 2}TRs were no longer dependent on polymer layer thickness. Thus, nanometer scale ALD oxide layers have shown their feasibility as high quality diffusion barriers on flexible packaging materials.
International Nuclear Information System (INIS)
Misra, E.; Wang, Y.; Theodore, N.D.; Alford, T.L.
2004-01-01
The thermal stability and the diffusion barrier properties of DC reactively sputtered tantalum oxynitride (Ta-O-N) thin films, between silver (Ag) and silicon (Si) p + n diodes were investigated. Both materials characterization (X-ray diffraction analysis, Rutherford backscattering spectrometry (RBS), Auger depth profiling) and electrical measurements (reverse-biased junction leakage current-density) were used to evaluate diffusion barrier properties of the thin films. The leakage current density of p + n diodes with the barrier (Ta-O-N) was approximately four orders of magnitude lower than those without barriers after a 30 min, 400 deg. C back contact anneal. The Ta-O-N barriers were stable up to 500 deg. C, 30 min anneals. However, this was not the case for the 600 deg. C anneal. RBS spectra and cross-sectional transmission electron microscopy of as-deposited and vacuum annealed samples of Ag/barrier (Ta-O-N)/Si indicate the absence of any interfacial interaction between the barrier and substrate (silicon). The failure of the Ta-O-N barriers has been attributed to thermally induced stresses, which cause the thin film to crack at elevated temperatures
Retrieval of optical properties of skin from measurement and modeling the diffuse reflectance
Douven, Lucien F. A.; Lucassen, Gerald W.
2000-06-01
We present results on the retrieval of skin optical properties obtained by fitting of measurements of the diffuse reflectance of human skin. Reflectance spectra are simulated using an analytical model based on the diffusion approximation. This model is implemented in a simplex fit routine. The skin optical model used consists of five layers representing epidermis, capillary blood plexus, dermis, deep blood plexus and hypodermis. The optical properties of each layer are assumed homogeneously distributed. The main optical absorbers included are melanin in epidermis and blood. The experimental setup consists of a HP photospectrometer equipped with a remote fiber head. Total reflectance spectra were measured in the 400 - 820 nm wavelength range on the volar underarm of 19 volunteers under various conditions influencing the blood content and oxygenation degree. Changes in the reflectance spectra were observed. Using the fit routine changes in blood content in the capillary blood plexus and in the deep blood plexus could be quantified. These showed different influences on the total reflectance. The method can be helpful to quantitatively assess changes in skin color appearance such as occurs in the treatment of port wine stains, blanching, skin irritation and tanning.
Directory of Open Access Journals (Sweden)
Bus Agnieszka
2017-09-01
Full Text Available Assessment of sorption properties and kinetic reaction of phosphorus reactive material to limit diffuse pollution. Polonite® is an effective reactive material (manufactured from opoka rock for removing phosphorus from aqueous solutions. In conducted experiments, Polonite® of grain size of 2–5 mm was used as a potential reactive material which can be used as a filter fulfillment to reduce phosphorus diffuse pollution from agriculture areas. Kinetic and equilibrium studies (performed as a batch experiment were carried out as a function of time to evaluate the sorption properties of the material. The obtained results show that Polonite® effectively removes such contamination. All tested concentrations (0.998, 5.213, 10.965 mg P-PO4·L−1 are characterized by a better fit to pseudo-second kinetic order. The Langmuir isotherm the best reflects the mechanism of adsorption process in case of Polonite® and based on the isotherm, calculated maximum adsorption capacity equals 96.58 mg P-PO4·g−1.
Energy Technology Data Exchange (ETDEWEB)
Armour, N.; Dost, S. [Crystal Growth Laboratory, University of Victoria, Victoria, BC, V8W 3P6 (Canada)
2010-04-15
The effect of applied rotating and combined (rotating and static) magnetic fields on silicon transport during the liquid phase diffusion growth of SiGe was experimentally studied. 72-hour growth periods produced some single crystal sections. Single and polycrystalline sections of the processed samples were examined for silicon composition. Results show that the application of a rotating magnetic field enhances silicon transport in the melt. It also has a slight positive effect on flattening the initial growth interface. For comparison, growth experiments were also conducted under combined (rotating and static) magnetic fields. The processed samples revealed that the addition of static field altered the thermal characteristics of the system significantly and led to a complete melt back of the germanium seed. Silicon transport in the melt was also enhanced under combined fields compared with experiments with no magnetic field. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Low temperature carrier transport properties in isotopically controlled germanium
Energy Technology Data Exchange (ETDEWEB)
Itoh, Kohei [Univ. of California, Berkeley, CA (United States)
1994-12-01
Investigations of electronic and optical properties of semiconductors often require specimens with extremely homogeneous dopant distributions and precisely controlled net-carrier concentrations and compensation ratios. The previous difficulties in fabricating such samples are overcome as reported in this thesis by growing high-purity Ge single crystals of controlled ^{75}Ge and ^{70}Ge isotopic compositions, and doping these crystals by the neutron transmutation doping (NTD) technique. The resulting net-impurity concentrations and the compensation ratios are precisely determined by the thermal neutron fluence and the [^{74}Ge]/[^{70}Ge] ratios of the starting Ge materials, respectively. This method also guarantees unprecedented doping uniformity. Using such samples the authors have conducted four types of electron (hole) transport studies probing the nature of (1) free carrier scattering by neutral impurities, (2) free carrier scattering by ionized impurities, (3) low temperature hopping conduction, and (4) free carrier transport in samples close to the metal-insulator transition.
Electronic transport properties of copper and gold at atomic scale
Energy Technology Data Exchange (ETDEWEB)
Mohammadzadeh, Saeideh
2010-11-23
The factors governing electronic transport properties of copper and gold atomic-size contacts are theoretically examined in the present work. A two-terminal conductor using crystalline electrodes is adopted. The non-equilibrium Green's function combined with the density functional tight-binding method is employed via gDFTB simulation tool to calculate the transport at both equilibrium and non-equilibrium conditions. The crystalline orientation, length, and arrangement of electrodes have very weak influence on the electronic characteristics of the considered atomic wires. The wire width is found to be the most effective geometric aspect determining the number of conduction channels. The obtained conductance oscillation and linear current-voltage curves are interpreted. To analyze the conduction mechanism in detail, the transmission channels and their decomposition to the atomic orbitals are calculated in copper and gold single point contacts. The presented results offer a possible explanation for the relation between conduction and geometric structure. Furthermore, the results are in good agreement with available experimental and theoretical studies. (orig.)
Transport properties of ultrathin black phosphorus on hexagonal boron nitride
Energy Technology Data Exchange (ETDEWEB)
Doganov, Rostislav A.; Özyilmaz, Barbaros [Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 6 Science Drive 2, 117546 Singapore (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore (Singapore); Graduate School for Integrative Sciences and Engineering (NGS), National University of Singapore, 28 Medical Drive, 117456 Singapore (Singapore); Koenig, Steven P.; Yeo, Yuting [Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 6 Science Drive 2, 117546 Singapore (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, 117542 Singapore (Singapore); Watanabe, Kenji; Taniguchi, Takashi [National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan)
2015-02-23
Ultrathin black phosphorus, or phosphorene, is a two-dimensional material that allows both high carrier mobility and large on/off ratios. Similar to other atomic crystals, like graphene or layered transition metal dichalcogenides, the transport behavior of few-layer black phosphorus is expected to be affected by the underlying substrate. The properties of black phosphorus have so far been studied on the widely utilized SiO{sub 2} substrate. Here, we characterize few-layer black phosphorus field effect transistors on hexagonal boron nitride—an atomically smooth and charge trap-free substrate. We measure the temperature dependence of the field effect mobility for both holes and electrons and explain the observed behavior in terms of charged impurity limited transport. We find that in-situ vacuum annealing at 400 K removes the p-doping of few-layer black phosphorus on both boron nitride and SiO{sub 2} substrates and reduces the hysteresis at room temperature.
Structure and transport properties of polymer grafted nanoparticles
Goyal, Sushmit; Escobedo, Fernando A.
2011-01-01
We perform molecular dynamics simulations on a bead-spring model of pure polymer grafted nanoparticles (PGNs) and of a blend of PGNs with a polymer melt to investigate the correlation between PGN design parameters (such as particle core concentration, polymer grafting density, and polymer length) and properties, such as microstructure, particle mobility, and viscous response. Constant strain-rate simulations were carried out to calculate viscosities and a constant-stress ensemble was used to calculate yield stresses. The PGN systems are found to have less structural order, lower viscosity, and faster diffusivity with increasing length of the grafted chains for a given core concentration or grafting density. Decreasing grafting density causes depletion effects associated with the chains leading to close contacts between some particle cores. All systems were found to shear thin, with the pure PGN systems shear thinning more than the blend; also, the pure systems exhibited a clear yielding behavior that was absent in the blend. Regarding the mechanism of shear thinning at the high shear rates examined, it was found that the shear-induced decrease of Brownian stresses and increase in chain alignment, both correlate with the reduction of viscosity in the system with the latter being more dominant. A coupling between Brownian stresses and chain alignment was also observed wherein the non-equilibrium particle distribution itself promotes chain alignment in the direction of shear. © 2011 American Institute of Physics.
Thermal transport properties in dilute 3He-4He mixtures near the superfluid transition
International Nuclear Information System (INIS)
Tuttle, J.G.
1991-01-01
The author describes measurements of various transport properties of dilute liquid 3 He- 4 He mixtures in two different sample cells. One cell was designed to measure the temperature drop ΔT across a fluid layer due to an applied heat flux Q, and the other allowed measurement of both ΔT and ΔX, the molar concentration drop. He studied the anomalous boundary resistance, ΔR b , in superfluid 4 He near T λ for Q between 4 and 100μW/cm 2 . He presents results for both the weakly divergent and the heat dependent, more strongly divergent contributions. He compares his data with those of Duncan and Ahlers and with theoretical predictions by Frank and Dohm. He also presents similar R b data for a mixture with X = 2.5 x 10 -6 . He determined the relaxation time τ for transients observed during thermal conductivity κ eff and thermal diffusion k T * measurements in superfluid mixtures between 1.7K and T λ with X ranging from 10 -6 to 5 x 10 -2 . He compares these results, taken with a fluid layer thickness h = 1.81 mm, with theoretical predictions and with earlier data for h = 1.47 mm. He shows the mass diffusion coefficient D computed both from τ and from κ eff data for 0.001 λ , and he compares the results of these two different determinations. In addition, he presents the 3 He-roton scattering cross section calculated using D results. In the normal phase he measured the thermal diffusion ratio k T and the thermal conductivity κ for 0.009 ≤ X ≤ 0.05 near T λ , and he compares these results with predictions by Dohm and Folk
Energy Technology Data Exchange (ETDEWEB)
Stacey, W. M.; Sayer, M.-H.; Floyd, J.-P. [Georgia Tech, Atlanta, Georgia 30332 (United States); Groebner, R. J. [General Atomics, San Diego, California 92186 (United States)
2013-01-15
The evolution of diffusive and non-diffusive transport during pedestal buildup following a low-high (L-H) transition has been interpreted from a particle-momentum-energy balance analysis of the measured density, temperature, and rotation velocity profiles in the plasma edge (0.82<{rho}<1.0) of a DIII-D [Luxon, Nucl. Fusion 42, 614 (2002)] discharge. In the discharge examined, there was an edge-localized-mode-free period of more than 600 ms following the L-H transition, and the majority of edge pedestal development occurred within the first 100 ms following the L-H transition. There appears to be a spatio-temporal correlation among the measured toroidal and poloidal rotation, the formation of a negative well in the measured radial electric field, the creation of a large inward particle pinch, the calculated intrinsic rotation due to ion orbit loss, and the measured formation of steep gradients in density and temperature in the outer region ({rho}>0.95) of the edge pedestal.
Ishii, Akio; Li, Ju; Ogata, Shigenobu
2013-01-01
Dislocation pipe diffusion seems to be a well-established phenomenon. Here we demonstrate an unexpected effect, that the migration of interstitials such as carbon in iron may be accelerated not in the dislocation line direction ξ, but in a conjugate diffusion direction. This accelerated random walk arises from a simple crystallographic channeling effect. c is a function of the Burgers vector b, but not ξ, thus a dislocation loop possesses the same everywhere. Using molecular dynamics and accelerated dynamics simulations, we further show that such dislocation-core-coupled carbon diffusion in iron has temperature-dependent activation enthalpy like a fragile glass. The 71° mixed dislocation is the only case in which we see straightforward pipe diffusion that does not depend on dislocation mobility.
Gharedaghloo, Behrad; Price, Jonathan S.; Rezanezhad, Fereidoun; Quinton, William L.
2018-06-01
Micro-scale properties of peat pore space and their influence on hydraulic and transport properties of peat soils have been given little attention so far. Characterizing the variation of these properties in a peat profile can increase our knowledge on the processes controlling contaminant transport through peatlands. As opposed to the common macro-scale (or bulk) representation of groundwater flow and transport processes, a pore network model (PNM) simulates flow and transport processes within individual pores. Here, a pore network modeling code capable of simulating advective and diffusive transport processes through a 3D unstructured pore network was developed; its predictive performance was evaluated by comparing its results to empirical values and to the results of computational fluid dynamics (CFD) simulations. This is the first time that peat pore networks have been extracted from X-ray micro-computed tomography (μCT) images of peat deposits and peat pore characteristics evaluated in a 3D approach. Water flow and solute transport were modeled in the unstructured pore networks mapped directly from μCT images. The modeling results were processed to determine the bulk properties of peat deposits. Results portray the commonly observed decrease in hydraulic conductivity with depth, which was attributed to the reduction of pore radius and increase in pore tortuosity. The increase in pore tortuosity with depth was associated with more decomposed peat soil and decreasing pore coordination number with depth, which extended the flow path of fluid particles. Results also revealed that hydraulic conductivity is isotropic locally, but becomes anisotropic after upscaling to core-scale; this suggests the anisotropy of peat hydraulic conductivity observed in core-scale and field-scale is due to the strong heterogeneity in the vertical dimension that is imposed by the layered structure of peat soils. Transport simulations revealed that for a given solute, the effective
Energy Technology Data Exchange (ETDEWEB)
Kostela, J. [Uppsala University, Department of Physical Chemistry, Box 579, S-75123 Uppsala (Sweden)]. E-mail: johan.kostela@fki.uu.se; Elmgren, M. [Uppsala University, Department of Physical Chemistry, Box 579, S-75123 Uppsala (Sweden); Almgren, M. [Uppsala University, Department of Physical Chemistry, Box 579, S-75123 Uppsala (Sweden)
2005-05-30
The objective of this study was to investigate the electrochemical behaviour of the divalent redox active surfactant, N-cetyl-N'-methylviologen (CMV), in bicontinuous cubic and lamellar phases. The liquid crystalline phases were prepared from the system glycerolmonooleate (GMO)-water (and brine)-cationic surfactant. A comparison of the phase behaviour of GMO with the monovalent cetyltrimethylammonium bromide (CTAB) and the divalent CMV surfactant showed that the surfactants gave about the same effect at the same surface charge density. The electrochemical measurements were made with a mixture of CTAB and CMV as the surfactant. Cyclic voltammetry was used to study the electrochemistry of CMV incorporated in the cubic and lamellar phases that were spread on a gold electrode. The E {sup 0}-values in the cubic samples were more negative (-0.55 V versus SCE) than in the lamellar samples (-0.53 V versus SCE). This can be explained by the higher charge density in the lamellar phase. The diffusion coefficients were also measured in the cubic phase. The mass transport is slowed down about fifty times in the cubic phase compared to in the pure electrolyte. The concentration dependence on the diffusion coefficient was also investigated. No electron hopping could be observed, which suggest that diffusional movement of the redox probe is the main source of charge transport. By placing the samples on a conducting glass slide, spectroelectrochemical investigations were performed. In the lamellar phase strong dimerization was detected at high concentration of viologen, but much less in the cubic phase.
Elastic and transport properties of topological semimetal ZrTe
Guo, San-Dong; Wang, Yue-Hua; Lu, Wan-Li
2017-11-01
Topological semimetals may have substantial applications in electronics, spintronics, and quantum computation. Recently, ZrTe was predicted as a new type of topological semimetal due to the coexistence of Weyl fermions and massless triply degenerate nodal points. In this work, the elastic and transport properties of ZrTe are investigated by combining the first-principles calculations and semiclassical Boltzmann transport theory. Calculated elastic constants prove the mechanical stability of ZrTe, and the bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio also are calculated. It is found that spin-orbit coupling (SOC) has slightly enhanced effects on the Seebeck coefficient, which along the a(b) and c directions for pristine ZrTe at 300 K is 46.26 μVK-1 and 80.20 μVK-1, respectively. By comparing the experimental electrical conductivity of ZrTe (300 K) with the calculated value, the scattering time is determined as 1.59 × 10-14 s. The predicted room-temperature electronic thermal conductivity along the a(b) and c directions is 2.37 {{Wm}}-1{{{K}}}-1 and 2.90 {{Wm}}-1{{{K}}}-1, respectively. The room-temperature lattice thermal conductivity is predicted as 17.56 {{Wm}}-1{{{K}}}-1 and 43.08 {{Wm}}-1{{{K}}}-1 along the a(b) and c directions, showing very strong anisotropy. Calculated results show that isotope scattering produces an observable effect on lattice thermal conductivity. To observably reduce lattice thermal conductivity by nanostructures, the characteristic length should be smaller than 70 nm, based on cumulative lattice thermal conductivity with respect to the phonon mean free path (MFP) at 300 K. It is noted that the average room-temperature lattice thermal conductivity of ZrTe is slightly higher than that of isostructural MoP, which is due to larger phonon lifetimes and smaller Grüneisen parameters. Finally, the total thermal conductivity as a function of temperature is predicted for pristine ZrTe. Our works provide valuable
Transport Properties of ZnSe- ITO Hetero Junction
Ichibakase, Tsuyoshi
In this report, ITO(Indium Tin Oxide) was used on the glass substrates as the transparent electrode, and ZnSe layer was prepared by the vacuum deposition on this ITO. Then, the electrical characteristics of this sample were investigated by mans of the electric current transport analysis. The sample that ZnSe was prepared as 3.4 μm in case of ITO-ZnSe sample, has high density level at the junction surface. The ITO-ZnSe junction has two type of diffusion current. However, the ITO-ZnSe sample that ZnSe layer was prepared as 0.1 μm can be assumed as the ohmic contact, and ITO-ZnSe(0.1μm) -CdTe sample shows the avalanche breakdown, and it is considered that the avalanche breakdown occurs in CdTe layer. It is difficult to occur the avalanche breakdown, if ZnSe-CdTe junction has high-density level and CdTe layer has high-density defect. Hence, the ZnSe-CdTe sample that CdTe layer was prepared on ITO-ZnSe(0.1μm) substrate has not high-density level at the junction surface, and the CdTe layer with little lattice imperfection can be prepared. It found that ITO-ZnSe(0.1μm) substrate is available for the II-VI compounds semiconductor device through above analysis result.
International Nuclear Information System (INIS)
Cohen, Gregory
2013-01-01
Global warming is related to atmospheric greenhouse gas concentration increase and especially anthropogenic CO 2 emissions. Geologic sequestration has the potential capacity and the longevity to significantly diminish anthropogenic CO 2 emissions. This sequestration in deep geological formation induces leakage risks from the geological reservoir. Several leakage scenarios have been imagined. Since it could continue for a long period, inducing environmental issues and risks for human, the scenario of a diffusive leakage is the most worrying. Thus, monitoring tools and protocols are needed to set up a near-surface monitoring plan. The present thesis deals with this problematic. The aims are the characterisation, the quantification and the modelling of transport and interactions of CO 2 in a carbonate unsaturated zone. This was achieved following an experimental approach on a natural pilot site in Saint-Emilion (Gironde, France), where diffusive gas leakage experiments were set up in a carbonate unsaturated zone. Different aspects were investigated during the study: natural pilot site description and instrumentation; the physical and chemical characterisation of carbonate reservoir heterogeneity; the natural functioning of the carbonate unsaturated zone and especially the set-up of a CO 2 concentrations baseline; the characterisation of gas plume extension following induced diffusive leakage in the carbonate unsaturated zone and the study of gas-water-rock interactions during a CO 2 diffusive leakage in a carbonate unsaturated zone through numerical simulations. The results show the importance of the carbonate reservoir heterogeneity characterisation as well as the sampling and analysing methods for the different phases. The baseline set-up is of main interest since it allows discrimination between the induced and the natural CO 2 concentrations variations. The transfer of CO 2 in a carbonate unsaturated zone is varying in function of physical and chemical properties
Magnetic and transport properties of Fe-based nanocrystalline materials
Barandiarán, J. M.
1994-01-01
Fe-rich amorphous alloys containing late transition metals like Nb, V, Zr,..., sometimes with the addition of Cu, can crystallize in ultrafine grains of a crystalline phase, a few nanometers in diameter, embedded in a disordered matrix. In such state they have shown excellent soft magnetic properties for technical applications, rising the interest for deep studies. In this paper, recent work on some Fe-Nb and Fe-Zr based alloys both in amorphous state and after several degrees of nanocrystallization is presented. The nanocrystallization process has been achieved by conventional heat treatments (about 1 h at temperatures around 400-500 °C in a controlled atmosphere furnance) as well as by Joule heating using an electrical current flowing through the sample. Magnetic measurements, electrical resistivity, x-rays diffraction and 57Fe Mössbauer spectroscopy were used in the study of the crystalline phases appearing after the thermal treatments. The basic magnetic and transport properties of the nanocrystals do not differ appreciably from their bulk values. The magnetic anisotropy, however, is very sensitive to grain size and to the intergranular magnetic coupling. The effect of such coupling is deduced from the coercivity changes at the Curie Temperature of the amorphous matrix remaining after nanocrystallization.
Thermodynamic and transport properties of YbNi 4Cd
Lee, J.; Park, H.; Lee-Hone, N. R.; Broun, D. M.; Mun, E.
2018-05-01
The single crystal growth and the physical properties of the intermetallic compounds R Ni4Cd (R =Y and Yb) which crystallize in the face-centered cubic (fcc) MgCu4Sn -type structure (space group F 4 ¯3 m ) are discussed. Thermodynamic and transport properties of YbNi4Cd are studied by measuring the magnetization, electrical resistivity, and specific heat. The magnetic susceptibility measurement shows that t