Macroscopic acoustoelectric charge transport in graphene
Bandhu, L.; Lawton, L. M.; Nash, G. R.
2013-09-01
We demonstrate macroscopic acoustoelectric transport in graphene, transferred onto piezoelectric lithium niobate substrates, between electrodes up to 500 μm apart. Using double finger interdigital transducers we have characterised the acoustoelectric current as a function of both surface acoustic wave intensity and frequency. The results are consistent with a relatively simple classical relaxation model, in which the acoustoelectric current is proportional to both the surface acoustic wave intensity and the attenuation of the wave caused by the charge transport.
Thermodynamical properties and thermoelastic coupling of complex macroscopic structure
International Nuclear Information System (INIS)
Fabbri, M.; Sacripanti, A.
1996-11-01
Gross qualitative/quantitative analysis about thermodynamical properties and thermoelastic coupling (or elastocaloric effect) of complex macroscopic structure (running shoes) is performed by infrared camera. The experimental results showed the achievability of a n industrial research project
Macroscopic transport by synthetic molecular machines
Berna, J; Leigh, DA; Lubomska, M; Mendoza, SM; Perez, EM; Rudolf, P; Teobaldi, G; Zerbetto, F
Nature uses molecular motors and machines in virtually every significant biological process, but demonstrating that simpler artificial structures operating through the same gross mechanisms can be interfaced with - and perform physical tasks in - the macroscopic world represents a significant hurdle
Stochastic and Macroscopic Thermodynamics of Strongly Coupled Systems
Directory of Open Access Journals (Sweden)
Christopher Jarzynski
2017-01-01
Full Text Available We develop a thermodynamic framework that describes a classical system of interest S that is strongly coupled to its thermal environment E. Within this framework, seven key thermodynamic quantities—internal energy, entropy, volume, enthalpy, Gibbs free energy, heat, and work—are defined microscopically. These quantities obey thermodynamic relations including both the first and second law, and they satisfy nonequilibrium fluctuation theorems. We additionally impose a macroscopic consistency condition: When S is large, the quantities defined within our framework scale up to their macroscopic counterparts. By satisfying this condition, we demonstrate that a unifying framework can be developed, which encompasses both stochastic thermodynamics at one end, and macroscopic thermodynamics at the other. A central element in our approach is a thermodynamic definition of the volume of the system of interest, which converges to the usual geometric definition when S is large. We also sketch an alternative framework that satisfies the same consistency conditions. The dynamics of the system and environment are modeled using Hamilton’s equations in the full phase space.
Macroscopic Modeling of Transport Phenomena in Direct Methanol Fuel Cells
DEFF Research Database (Denmark)
Olesen, Anders Christian
An increasing need for energy efficiency and high energy density has sparked a growing interest in direct methanol fuel cells for portable power applications. This type of fuel cell directly generates electricity from a fuel mixture consisting of methanol and water. Although this technology...... surpasses batteries in important areas, fundamental research is still required to improve durability and performance. Particularly the transport of methanol and water within the cell structure is difficult to study in-situ. A demand therefore exist for the fundamental development of mathematical models...... for studying their transport. In this PhD dissertation the macroscopic transport phenomena governing direct methanol fuel cell operation are analyzed, discussed and modeled using the two-fluid approach in the computational fluid dynamics framework of CFX 14. The overall objective of this work is to extend...
Effect of isovector coupling channel on the macroscopic part of the nuclear binding energy
International Nuclear Information System (INIS)
Haddad, S.
2011-04-01
The effect of the isovector coupling channel on the macroscopic part of the nuclear binding energy is determined utilizing the relativistic density dependent Thomas-Fermi approach for the calculation of the macroscopic part of the nuclear binding energy, and the dependency of this effect on the numbers of neutrons and protons is studied. The isovector coupling channel leads to increased nuclear binding energy, and this effect sharpens with growing excess of the number of neutrons on the number of protons. (author)
Generating macroscopic chaos in a network of globally coupled phase oscillators
So, Paul; Barreto, Ernest
2011-01-01
We consider an infinite network of globally coupled phase oscillators in which the natural frequencies of the oscillators are drawn from a symmetric bimodal distribution. We demonstrate that macroscopic chaos can occur in this system when the coupling strength varies periodically in time. We identify period-doubling cascades to chaos, attractor crises, and horseshoe dynamics for the macroscopic mean field. Based on recent work that clarified the bifurcation structure of the static bimodal Kuramoto system, we qualitatively describe the mechanism for the generation of such complicated behavior in the time varying case. PMID:21974662
DEFF Research Database (Denmark)
Eitelberger, Johannes; Svensson, Staffan; Hofstetter, Karin
2011-01-01
transport when used to describe transient processes. A suitable modeling approach was found by distinguishing between the two phases of water in wood, namely bound water in the cell walls and water vapor in the lumens. Such models are capable of reproducing transient moisture transport processes......, but the physical origin of the coupling between the two phases remains unclear. In this paper, the physical background on the microscale is clarified and transformed into a comprehensive macroscopic description, ending up with a dual-scale model comprising three coupled differential equations for bound water...
Effect of the isovector coupling channel on the macroscopic part of ...
Indian Academy of Sciences (India)
Physics Department, Atomic Energy Commission of Syria, P.O. Box 6091, Damascus, Syria. E-mail: pscientific@aec.org.sy. MS received 10 June 2012; revised 18 October 2012; accepted 12 December 2012. Abstract. The effect of isovector coupling channel on the macroscopic part of the nuclear binding energy is studied ...
International Nuclear Information System (INIS)
Chen, P.J.
1986-01-01
Microscopically, when the molecules of certain materials are under the influence of external stimuli such as mechanical and electrical forces, several processes can happen. In particular, the centers of charge of the positive and negative ions of a molecule may displace with respect to each other. This notion leads to the macroscopic concept of polarization which has been exploited in the classical studies of piezoelectric and ferroelectric materials. In addition, the ions of the molecule may also rotate angularly relative to one another. Here an entirely new macroscopic concept of body couple which differs from the classical concept is introduced. It is shown that the simplest representations of the proposed constitutive relations lead to an equation within the context of the classical bending theory of thin plates whose solution is in remarkable agreement with recent experimental results concerning the bending of thin virgin ferroelectric ceramic discs under the action of small d.c. voltages. These experimental results cannot be explained by the classical notion of polarization. Therefore, the concept of macroscopic body couple introduced here is a fundamental feature which must be taken into account in the considerations of electromechanical interactions
Wang, Wei; Coombs, Tim
2018-04-01
We have uncovered at the macroscopic scale a magnetic coupling phenomenon in a superconducting YBa2Cu3O7 -δ (YBCO) film, which physically explains the mechanism of the high-temperature superconducting flux pump. The coupling occurs between the applied magnetic poles and clusters of vortices induced in the YBCO film, with each cluster containing millions of vortices. The coupling energy is verified to originate from the inhomogeneous field of the magnetic poles, which reshapes the vortex distribution, aggregates millions of vortices into a single cluster, and accordingly moves with the poles. A contrast study is designed to verify that, to provide the effective coupling energy, the applied wavelength must be short while the field amplitude must be strong, i.e., local-field inhomogeneity is the crucial factor. This finding broadens our understanding of the collective vortex behavior in an applied magnetic field with strong local inhomogeneity. Moreover, this phenomenon largely increases the controlled vortex flow rate by several orders of magnitude compared with existing methods, providing motivation for and physical support to a new branch of wireless superconducting dc power sources, i.e., the high-temperature superconducting flux pump.
Cation-Coupled Bicarbonate Transporters
Aalkjaer, Christian; Boedtkjer, Ebbe; Choi, Inyeong; Lee, Soojung
2014-01-01
Cation-coupled HCO3− transport was initially identified in the mid-1970s when pioneering studies showed that acid extrusion from cells is stimulated by CO2/HCO3− and associated with Na+ and Cl− movement. The first Na+-coupled bicarbonate transporter (NCBT) was expression-cloned in the late 1990s. There are currently five mammalian NCBTs in the SLC4-family: the electrogenic Na,HCO3-cotransporters NBCe1 and NBCe2 (SLC4A4 and SLC4A5 gene products); the electroneutral Na,HCO3-cotransporter NBCn1 ...
Transport processes in macroscopically disordered media from mean field theory to percolation
Snarskii, Andrei A; Sevryukov, Vladimir A; Morozovskiy, Alexander; Malinsky, Joseph
2016-01-01
This book reflects on recent advances in the understanding of percolation systems to present a wide range of transport phenomena in inhomogeneous disordered systems. Further developments in the theory of macroscopically inhomogeneous media are also addressed. These developments include galvano-electric, thermoelectric, elastic properties, 1/f noise and higher current momenta, Anderson localization, and harmonic generation in composites in the vicinity of the percolation threshold. The book describes how one can find effective characteristics, such as conductivity, dielectric permittivity, magnetic permeability, with knowledge of the distribution of different components constituting an inhomogeneous medium. Considered are a wide range of recent studies dedicated to the elucidation of physical properties of macroscopically disordered systems. Aimed at researchers and advanced students, it contains a straightforward set of useful tools which will allow the reader to derive the basic physical properties of compli...
Tracer sorption and macroscopic transport in clay nano-pores: a lattice-Boltzmann study
International Nuclear Information System (INIS)
Levesque, Maximilien; Rotenberg, Benjamin; Duvail, Magali; Benichou, Olivier; Voituriez, Raphael; Pagonabarraga, Ignacio; Frenkel, Daan
2012-01-01
Document available in extended abstract form only. The Agence Nationale pour la gestion des Dechets Radioactifs (ANDRA) has been entrusted to find a safe solution for disposing of existing and future nuclear wastes. A prototype site has been considered for the waste disposal in a deep underground sedimentary geological formation. It is composed of clay minerals chosen, among other reasons, for their remarkable ability to limit radionuclide transport. Clay minerals are complex charged porous media characterized by heterogeneities at several length scales. They naturally occur as an assembly of few nano-meter-sized particles connected to form 10 to 100 nm interparticle pores containing water and ions. This intrinsically multi-scale structure, that gives the material its remarkable properties, makes the description of sorption and transport phenomena of transported ions particularly challenging. Experimental studies of water and ion transport through clays mostly consist in evaluating macroscopic effective transport coefficients like permeability or conductivity. They showed that the main transport mechanism is an effective diffusion that not only depends on particle charge but also on its chemical nature, or specificity. The goal of assessing the performance of clays as confinement barriers, particularly in the context of the geological disposal of nuclear waste, requires not only quantitative prediction of the retention and transport of species but also an understanding of the microscopic mechanisms underlying them. A successful approach has been to use numerical simulations via the Lattice-Boltzmann method (LB). It consists in making evolve populations describing the fluid at a level which is consistent with time and length-scales involved in transport properties, while still including a microscopic description of the phenomena. The transport of charged ions at the pore scale has recently been included in LB. In this method, the evolution of a tracer population is
Influence of microscopic inhomogeneity on macroscopic transport current of Ag/Bi2223 tapes
International Nuclear Information System (INIS)
Ogawa, Kazuhiro; Osamura, Kozo
2004-01-01
In Ag/Bi2223 tapes, inhomogeneities such as spatially distributed weak links or non-superconducting oxides are inevitably introduced because of the complicated manufacturing process and thermodynamic instability. In order to clarify the effect of the difference in such microscopic inhomogeneites on the macroscopic current transport properties, we carried out a numerical analysis. By changing volume fraction (V f ) of the Bi2223 phase and the shape of local distribution of critical current at each weak link, it is revealed that I-V characteristics are largely affected by the breadth of local distributions with different dependence on V f of Bi2223 and calculated results can be analyzed by Weibull distribution function with some parameters including the information of two-dimensional distribution
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.
Fission observables from 4D Langevin calculations with macroscopic transport coefficients
Directory of Open Access Journals (Sweden)
Usang Mark D.
2018-01-01
Full Text Available We have extended the Langevin equations to 4 dimensions (4D by allowing the independent deformation for the left (δ1 and right fragments (δ2 of the fissioning nucleus. At the moment we are only able to use them in conjunction with the macroscopic transport coefficients. Nevertheless, we can see a considerable improvement in the preliminary results for the fission observables, especially those related to the total kinetic energy (TKE of fission fragments. By plotting the TKE distributions we have revealed the super-long fission modes in 236U and super-short fission modes in 257Fm. By plotting the distribution of δ against the fragment’s TKE we have noted a correlation between the values of δ and Brosa’s fission modes. We have found that the standard fission modes correspond to prolate tips of the light fragments while the complementary heavy fragments have oblate fission tips. On the other hand, if both fragments were prolate at the tips, we get super-long fission modes. If both fragments were oblate at the tips, we get super-short fission modes.
Cellular automaton model of coupled mass transport and chemical reactions
International Nuclear Information System (INIS)
Karapiperis, T.
1994-01-01
Mass transport, coupled with chemical reactions, is modelled as a cellular automaton in which solute molecules perform a random walk on a lattice and react according to a local probabilistic rule. Assuming molecular chaos and a smooth density function, we obtain the standard reaction-transport equations in the continuum limit. The model is applied to the reactions a + b ↔c and a + b →c, where we observe interesting macroscopic effects resulting from microscopic fluctuations and spatial correlations between molecules. We also simulate autocatalytic reaction schemes displaying spontaneous formation of spatial concentration patterns. Finally, we propose and discuss the limitations of a simple model for mineral-solute interaction. (author) 5 figs., 20 refs
Directory of Open Access Journals (Sweden)
Olivier Millet
2008-03-01
Full Text Available In this paper, we propose a macroscopic migration model for cementitious porous media obtained from periodic homogenization technique. The dimensional analysis of Nernst-Planck equation leads to dimensionless numbers characterizing the problem. According to the order of magnitude of the dimensionless numbers, the homogenization of Nernst-Planck equation leads at the leading order to a macroscopic model where several rates can be coupled or not. For a large applied electrical field accelerating the transfer of ionic species, we obtain a macroscopic model only involving migration. A simple experimental procedure of measurement of the homogenized chlorides diffusivity is then proposed for cement-based materials.
International Nuclear Information System (INIS)
Raghavan, S.; Smerzi, A.; Fantoni, S.; Shenoy, S.R.
2001-03-01
We discuss the coherent atomic oscillations between two weakly coupled Bose-Einstein condensates. The weak link is provided by a laser barrier in a (possibly asymmetric) double-well trap or by Raman coupling between two condensates in different hyperfine levels. The boson Josephson junction (BJJ) dynamics is described by the two-mode nonlinear Gross-Pitaevskii equation that is solved analytically in terms of elliptic functions. The BJJ, being a neutral, isolated system, allows the investigations of dynamical regimes for the phase difference across the junction and for the population imbalance that are not accessible with superconductor Josephson junctions (SJJ's). These include oscillations with either or both of the following properties: (i) the time-averaged value of the phase is equal to π (π-phase oscillations); (ii) the average population imbalance is nonzero, in states with macroscopic quantum self-trapping. The (nonsinusoidal) generalization of the SJJ ac and plasma oscillations and the Shapiro resonance can also be observed. We predict the collapse of experimental data (corresponding to different trap geometries and the total number of condensate atoms) onto a single universal curve for the inverse period of oscillations. Analogies with Josephson oscillations between two weakly coupled reservoirs of 3 He-B and the internal Josephson effect in 3 He-A are also discussed. (author)
Macroscopic Entangled State Generation with Optomechanical Coupling of Two Mechanical Modes
Weaver, Matthew; Luna, Fernando; Buters, Frank; Heeck, Kier; de Man, Sven; Bouwmeester, Dirk
Mechanical resonators with a large quantum position uncertainty are an excellent test system for proposed decoherence mechanisms in massive systems. We present a scheme to optomechanically entangle two mechanical resonators with large frequency separation via two tone driving and single photon projection measurements. The quantum position uncertainty can be tuned with a variable optical pulse displacement operation, and independent single photon readout of the two resonators provides robust verification of the quantum states of the system. This scheme is currently experimentally feasible in a number of high mass opto- and electro-mechanical systems. We demonstrate one such system with two spatially and frequency separated Si3N4 trampoline resonators. We also show how the resonators can be coupled with two tone driving and the single photon optomechanical coupling rates can be tuned.
Anomalous transport at weak coupling
International Nuclear Information System (INIS)
Chowdhury, Subham Dutta; David, Justin R.
2015-01-01
We evaluate the contribution of chiral fermions in d=2,4,6, chiral bosons, a chiral gravitino like theory in d=2 and chiral gravitinos in d=6 to all the leading parity odd transport coefficients at one loop. This is done by using finite temperature field theory to evaluate the relevant Kubo formulae. For chiral fermions and chiral bosons the relation between the parity odd transport coefficient and the microscopic anomalies including gravitational anomalies agree with that found by using the general methods of hydrodynamics and the argument involving the consistency of the Euclidean vacuum. For the gravitino like theory in d=2 and chiral gravitinos in d=6, we show that relation between the pure gravitational anomaly and parity odd transport breaks down. From the perturbative calculation we clearly identify the terms that contribute to the anomaly polynomial, but not to the transport coefficient for gravitinos. We also develop a simple method for evaluating the angular integrals in the one loop diagrams involved in the Kubo formulae. Finally we show that charge diffusion mode of an ideal 2 dimensional Weyl gas in the presence of a finite chemical potential acquires a speed, which is equal to half the speed of light.
Macroscopic spin-orbit coupling in non-uniform magnetic fields
Energy Technology Data Exchange (ETDEWEB)
Tabat, N.; Edelman, H. S.; Song, D. [Semaphore Scientific, Inc., St. Cloud, Minnesota 56301 (United States); Vogt, T. [Department of Electrical and Computer Engineering, St. Cloud State University, St. Cloud, Minnesota 56301 (United States)
2015-03-02
Translational dynamics of aggregated magnetic nano-particles placed in a rotating external magnetic field is described. It is observed and explained that aggregates that spin within a radially decreasing field strength must execute an orbital motion of their center of mass in a sense that counters their spin rotation. This orbital motion is tightly coupled to the spin dynamics of the aggregates. An analytical model for the canonical variables describing the orbital motion is derived and shown to be in good agreement with the measured values.
Macroscopic spin-orbit coupling in non-uniform magnetic fields
International Nuclear Information System (INIS)
Tabat, N.; Edelman, H. S.; Song, D.; Vogt, T.
2015-01-01
Translational dynamics of aggregated magnetic nano-particles placed in a rotating external magnetic field is described. It is observed and explained that aggregates that spin within a radially decreasing field strength must execute an orbital motion of their center of mass in a sense that counters their spin rotation. This orbital motion is tightly coupled to the spin dynamics of the aggregates. An analytical model for the canonical variables describing the orbital motion is derived and shown to be in good agreement with the measured values
Coupled electron-photon radiation transport
International Nuclear Information System (INIS)
Lorence, L.; Kensek, R.P.; Valdez, G.D.; Drumm, C.R.; Fan, W.C.; Powell, J.L.
2000-01-01
Massively-parallel computers allow detailed 3D radiation transport simulations to be performed to analyze the response of complex systems to radiation. This has been recently been demonstrated with the coupled electron-photon Monte Carlo code, ITS. To enable such calculations, the combinatorial geometry capability of ITS was improved. For greater geometrical flexibility, a version of ITS is under development that can track particles in CAD geometries. Deterministic radiation transport codes that utilize an unstructured spatial mesh are also being devised. For electron transport, the authors are investigating second-order forms of the transport equations which, when discretized, yield symmetric positive definite matrices. A novel parallelization strategy, simultaneously solving for spatial and angular unknowns, has been applied to the even- and odd-parity forms of the transport equation on a 2D unstructured spatial mesh. Another second-order form, the self-adjoint angular flux transport equation, also shows promise for electron transport
Directory of Open Access Journals (Sweden)
Marta Galanti
2016-08-01
Full Text Available Describing particle transport at the macroscopic or mesoscopic level in non-ideal environments poses fundamental theoretical challenges in domains ranging from inter and intra-cellular transport in biology to diffusion in porous media. Yet, often the nature of the constraints coming from many-body interactions or reflecting a complex and confining environment are better understood and modeled at the microscopic level.In this paper we review the subtle link between microscopic exclusion processes and the mean-field equations that ensue from them in the continuum limit. We show that in an inhomogeneous medium, i.e. when jumps are controlled by site-dependent hopping rates, one can obtain three different nonlinear advection-diffusion equations in the continuum limit, suitable for describing transport in the presence of quenched disorder and external fields, depending on the particular rule embodying site inequivalence at the microscopic level. In a situation that might be termed point-like scenario, when particles are treated as point-like objects, the effect of crowding as imposed at the microscopic level manifests in the mean-field equations only if some degree of inhomogeneity is enforced into the model. Conversely, when interacting agents are assigned a finite size, under the more realistic extended crowding framework, exclusion constraints persist in the unbiased macroscopic representation.
Coupling of transport and geochemical models
International Nuclear Information System (INIS)
Noy, D.J.
1986-01-01
This report considers mass transport in the far-field of a radioactive waste repository, and detailed geochemical modelling of the ground-water in the near-field. A parallel approach to this problem of coupling transport and geochemical codes is the subject of another CEC report (ref. EUR 10226). Both studies were carried out in the framework of the CEC project MIRAGE. (Migration of radionuclides in the geosphere)
Coupled geochemical and solute transport code development
International Nuclear Information System (INIS)
Morrey, J.R.; Hostetler, C.J.
1985-01-01
A number of coupled geochemical hydrologic codes have been reported in the literature. Some of these codes have directly coupled the source-sink term to the solute transport equation. The current consensus seems to be that directly coupling hydrologic transport and chemical models through a series of interdependent differential equations is not feasible for multicomponent problems with complex geochemical processes (e.g., precipitation/dissolution reactions). A two-step process appears to be the required method of coupling codes for problems where a large suite of chemical reactions must be monitored. Two-step structure requires that the source-sink term in the transport equation is supplied by a geochemical code rather than by an analytical expression. We have developed a one-dimensional two-step coupled model designed to calculate relatively complex geochemical equilibria (CTM1D). Our geochemical module implements a Newton-Raphson algorithm to solve heterogeneous geochemical equilibria, involving up to 40 chemical components and 400 aqueous species. The geochemical module was designed to be efficient and compact. A revised version of the MINTEQ Code is used as a parent geochemical code
Coupled transport in field-reversed configurations
Steinhauer, L. C.; Berk, H. L.; TAE Team
2018-02-01
Coupled transport is the close interconnection between the cross-field and parallel fluxes in different regions due to topological changes in the magnetic field. This occurs because perpendicular transport is necessary for particles or energy to leave closed field-line regions, while parallel transport strongly affects evolution of open field-line regions. In most toroidal confinement systems, the periphery, namely, the portion with open magnetic surfaces, is small in thickness and volume compared to the core plasma, the portion with closed surfaces. In field-reversed configurations (FRCs), the periphery plays an outsized role in overall confinement. This effect is addressed by an FRC-relevant model of coupled particle transport that is well suited for immediate interpretation of experiments. The focus here is particle confinement rather than energy confinement since the two track together in FRCs. The interpretive tool yields both the particle transport rate χn and the end-loss time τǁ. The results indicate that particle confinement depends on both χn across magnetic surfaces throughout the plasma and τǁ along open surfaces and that they provide roughly equal transport barriers, inhibiting particle loss. The interpretation of traditional FRCs shows Bohm-like χn and inertial (free-streaming) τǁ. However, in recent advanced beam-driven FRC experiments, χn approaches the classical rate and τǁ is comparable to classic empty-loss-cone mirrors.
A new methodology for determination of macroscopic transport parameters in drying porous media
Attari Moghaddam, A.; Kharaghani, A.; Tsotsas, E.; Prat, M.
2015-12-01
Two main approaches have been used to model the drying process: The first approach considers the partially saturated porous medium as a continuum and partial differential equations are used to describe the mass, momentum and energy balances of the fluid phases. The continuum-scale models (CM) obtained by this approach involve constitutive laws which require effective material properties, such as the diffusivity, permeability, and thermal conductivity which are often determined by experiments. The second approach considers the material at the pore scale, where the void space is represented by a network of pores (PN). Micro- or nanofluidics models used in each pore give rise to a large system of ordinary differential equations with degrees of freedom at each node of the pore network. In this work, the moisture transport coefficient (D), the pseudo desorption isotherm inside the network and at the evaporative surface are estimated from the post-processing of the three-dimensional pore network drying simulations for fifteen realizations of the pore space geometry from a given probability distribution. A slice sampling method is used in order to extract these parameters from PN simulations. The moisture transport coefficient obtained in this way is shown in Fig. 1a. The minimum of average D values demonstrates the transition between liquid dominated moisture transport region and vapor dominated moisture transport region; a similar behavior has been observed in previous experimental findings. A function is fitted to the average D values and then is fed into the non-linear moisture diffusion equation. The saturation profiles obtained from PN and CM simulations are shown in Fig. 1b. Figure 1: (a) extracted moisture transport coefficient during drying for fifteen realizations of the pore network, (b) average moisture profiles during drying obtained from PN and CM simulations.
Macroscopic cross sections for analyzing the transport of neutral particles in plasmas
International Nuclear Information System (INIS)
Suzuki, Tadakazu; Taji, Yuukichi; Nakahara, Yasuaki
1975-05-01
Algorithms have been developed for calculating the ionization and charge exchange cross sections required for analyzing the neutral transport in plasmas. In our algorithms, the integration of the expression for reaction rate of neutrals with plasmas is performed by expanding the integrand with the use of polynomials. At present, multi-energy-group sets of the cross sections depending on plasma temperature and energy of neutrals can be prepared by means of Maxwellian averages over energy. Calculational results are printed out in the FIDO format. Some numerical examples are given for several forms of spatial distributions assumed for the plasma ion temperature and source neutral energy. (auth.)
Coupling of transport and geochemical models
International Nuclear Information System (INIS)
Noy, D.J.
1985-01-01
This contract stipulated separate pieces of work to consider mass transport in the far-field of a repository, and more detailed geochemical modelling of the groundwater in the near-field. It was envisaged that the far-field problem would be tackled by numerical solutions to the classical advection-diffusion equation obtained by the finite element method. For the near-field problem the feasibility of coupling existing geochemical equilibrium codes to the three dimensional groundwater flow codes was to be investigated. This report is divided into two sections with one part devoted to each aspect of this contract. (author)
Padrino, Juan C.; Sprittles, James; Lockerby, Duncan
2017-11-01
Thermophoresis refers to the forces on and motions of objects caused by temperature gradients when these objects are exposed to rarefied gases. This phenomenon can occur when the ratio of the gas mean free path to the characteristic physical length scale (Knudsen number) is not negligible. In this work, we obtain the thermophoretic force on a rigid, heat-conducting spherical particle immersed in a rarefied gas resulting from a uniform temperature gradient imposed far from the sphere. To this end, we model the gas dynamics using the steady, linearized version of the so-called regularized 13-moment equations (R13). This set of equations, derived from the Boltzmann equation using the moment method, provides closures to the mass, momentum, and energy conservation laws in the form of constitutive, transport equations for the stress and heat flux that extends the Navier-Stokes-Fourier model to include rarefaction effects. Integration of the pressure and stress on the surface of the sphere leads to the net force as a function of the Knudsen number, dimensionless temperature gradient, and particle-to-gas thermal conductivity ratio. Results from this expression are compared with predictions from other moment-based models as well as from kinetic models. Supported in the UK by the Engineering and Physical Sciences Research Council (EP/N016602/1).
Macroscopic Optomechanically Induced Transparency
Pate, Jacob; Castelli, Alessandro; Martinez, Luis; Thompson, Johnathon; Chiao, Ray; Sharping, Jay
Optomechanically induced transparency (OMIT) is an effect wherein the spectrum of a cavity resonance is modified through interference between coupled excitation pathways. In this work we investigate a macroscopic, 3D microwave, superconducting radio frequency (SRF) cavity incorporating a niobium-coated, silicon-nitride membrane as the flexible boundary. The boundary supports acoustic vibrational resonances, which lead to coupling with the microwave resonances of the SRF cavity. The theoretical development and physical understanding of OMIT for our macroscopic SRF cavity is the same as that for other recently-reported OMIT systems despite vastly different optomechanical coupling factors and device sizes. Our mechanical oscillator has a coupling factor of g0 = 2 π . 1 ×10-5 Hz and is roughly 38 mm in diameter. The Q = 5 ×107 for the SRF cavity allows probing of optomechanical effects in the resolved sideband regime.
ITS - The integrated TIGER series of coupled electron/photon Monte Carlo transport codes
International Nuclear Information System (INIS)
Halbleib, J.A.; Mehlhorn, T.A.
1985-01-01
The TIGER series of time-independent coupled electron/photon Monte Carlo transport codes is a group of multimaterial, multidimensional codes designed to provide a state-of-the-art description of the production and transport of the electron/photon cascade. The codes follow both electrons and photons from 1.0 GeV down to 1.0 keV, and the user has the option of combining the collisional transport with transport in macroscopic electric and magnetic fields of arbitrary spatial dependence. Source particles can be either electrons or photons. The most important output data are (a) charge and energy deposition profiles, (b) integral and differential escape coefficients for both electrons and photons, (c) differential electron and photon flux, and (d) pulse-height distributions for selected regions of the problem geometry. The base codes of the series differ from one another primarily in their dimensionality and geometric modeling. They include (a) a one-dimensional multilayer code, (b) a code that describes the transport in two-dimensional axisymmetric cylindrical material geometries with a fully three-dimensional description of particle trajectories, and (c) a general three-dimensional transport code which employs a combinatorial geometry scheme. These base codes were designed primarily for describing radiation transport for those situations in which the detailed atomic structure of the transport medium is not important. For some applications, it is desirable to have a more detailed model of the low energy transport. The system includes three additional codes that contain a more elaborate ionization/relaxation model than the base codes. Finally, the system includes two codes that combine the collisional transport of the multidimensional base codes with transport in macroscopic electric and magnetic fields of arbitrary spatial dependence
Thermodynamically coupled mass transport processes in a saturated clay
International Nuclear Information System (INIS)
Carnahan, C.L.
1984-01-01
Gradients of temperature, pressure, and fluid composition in saturated clays give rise to coupled transport processes (thermal and chemical osmosis, thermal diffusion, ultrafiltration) in addition to the direct processes (advection and diffusion). One-dimension transport of water and a solute in a saturated clay subjected to mild gradients of temperature and pressure was simulated numerically. When full coupling was accounted for, volume flux (specific discharge) was controlled by thermal osmosis and chemical osmosis. The two coupled fluxes were oppositely directed, producing a point of stagnation within the clay column. Solute flows were dominated by diffusion, chemical osmosis, and thermal osmosis. Chemical osmosis produced a significant flux of solute directed against the gradient of solute concentration; this effect reduced solute concentrations relative to the case without coupling. Predictions of mass transport in clays at nuclear waste repositories could be significantly in error if coupled transport processes are not accounted for. 14 refs., 8 figs
Thermodynamically coupled mass transport processes in a saturated clay
International Nuclear Information System (INIS)
Carnahan, C.L.
1984-11-01
Gradients of temperature, pressure, and fluid composition in saturated clays give rise to coupled transport processes (thermal and chemical osmosis, thermal diffusion, ultrafiltration) in addition to the direct processes (advection and diffusion). One-dimensional transport of water and a solute in a saturated clay subjected to mild gradients of temperature and pressure was simulated numerically. When full coupling was accounted for, volume flux (specific discharge) was controlled by thermal osmosis and chemical osmosis. The two coupled fluxes were oppositely directed, producing a point of stagnation within the clay column. Solute flows were dominated by diffusion, chemical osmosis, and thermal osmosis. Chemical osmosis produced a significant flux of solute directed against the gradient of solute concentration; this effect reduced solute concentrations relative to the case without coupling. Predictions of mass transport in clays at nuclear waste repositories could be significantly in error if coupled transport processes are not accounted for. 14 references, 8 figures, 1 table
ITS Version 3.0: The Integrated TIGER Series of coupled electron/photon Monte Carlo transport codes
International Nuclear Information System (INIS)
Halbleib, J.A.; Kensek, R.P.; Valdez, G.D.; Mehlhorn, T.A.; Seltzer, S.M.; Berger, M.J.
1993-01-01
ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields. It combines operational simplicity and physical accuracy in order to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Flexibility of construction permits tailoring of the codes to specific applications and extension of code capabilities to more complex applications through simple update procedures
ITS Version 3.0: The Integrated TIGER Series of coupled electron/photon Monte Carlo transport codes
Energy Technology Data Exchange (ETDEWEB)
Halbleib, J.A.; Kensek, R.P.; Valdez, G.D.; Mehlhorn, T.A. [Sandia National Labs., Albuquerque, NM (United States); Seltzer, S.M.; Berger, M.J. [National Inst. of Standards and Technology, Gaithersburg, MD (United States). Ionizing Radiation Div.
1993-06-01
ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields. It combines operational simplicity and physical accuracy in order to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Flexibility of construction permits tailoring of the codes to specific applications and extension of code capabilities to more complex applications through simple update procedures.
Modular coupling of transport and chemistry: theory and model applications
International Nuclear Information System (INIS)
Pfingsten, W.
1994-06-01
For the description of complex processes in the near-field of a radioactive waste repository, the coupling of transport and chemistry is necessary. A reason for the relatively minor use of coupled codes in this area is the high amount of computer time and storage capacity necessary for calculations by conventional codes, and lack of available data. The simple application of the sequentially coupled code MCOTAC, which couples one-dimensional advective, dispersive and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium, shows some promising features with respect to applicability to relevant problems. Transport, described by random walk of multi-species particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term to ensure mass conservation. (For full text of the abstract see 25:072321)
Modeling of coupled geochemical and transport processes: An overview
International Nuclear Information System (INIS)
Carnahan, C.L.
1989-10-01
Early coupled models associated with fluid flow and solute transport have been limited by assumed conditions of constant temperature, fully saturated fluid flow, and constant pore fluid velocity. Developments including coupling of chemical reactions to variable fields of temperature and fluid flow have generated new requirements for experimental data. As the capabilities of coupled models expand, needs are created for experimental data to be used for both input and validation. 25 refs
Active Polar Two-Fluid Macroscopic Dynamics
Pleiner, Harald; Svensek, Daniel; Brand, Helmut R.
2014-03-01
We study the dynamics of systems with a polar dynamic preferred direction. Examples include the pattern-forming growth of bacteria (in a solvent, shoals of fish (moving in water currents), flocks of birds and migrating insects (flying in windy air). Because the preferred direction only exists dynamically, but not statically, the macroscopic variable of choice is the macroscopic velocity associated with the motion of the active units. We derive the macroscopic equations for such a system and discuss novel static, reversible and irreversible cross-couplings connected to this second velocity. We find a normal mode structure quite different compared to the static descriptions, as well as linear couplings between (active) flow and e.g. densities and concentrations due to the genuine two-fluid transport derivatives. On the other hand, we get, quite similar to the static case, a direct linear relation between the stress tensor and the structure tensor. This prominent ``active'' term is responsible for many active effects, meaning that our approach can describe those effects as well. In addition, we also deal with explicitly chiral systems, which are important for many active systems. In particular, we find an active flow-induced heat current specific for the dynamic chiral polar order.
Coupled electric and transport phenomena in porous media
Li, Shuai
2014-01-01
The coupled electrical and transport properties of clay-containing porous media are the topics of interest in this study. Both experimental and numerical (pore network modeling) techniques are employed to gain insight into the macro-scale interaction between electrical and solute transport phenomena
International Nuclear Information System (INIS)
Bary, B.; Le Bescop, P.; Leterrier, N.; Deville, E.
2012-01-01
We propose in this study to develop a chemo-transport-mechanical model for the simulation of external sulfate attack in cementitious materials. This degradation mainly consists in the hydrate decalcification/dissolution due to leaching, and in the reaction between the sulfate ions migrating within the material and mono-sulfate initially present to precipitate into ettringite. It may generate macroscopic expansions leading to severe microcracking. The key point in this study is the use of the integration numerical platform ALLIANCES which couples a code solving the chemical equations, the diffusion of ionic species into the porosity and the mechanical problem. The crystallization pressures resulting from the interaction between growing mono-sulfate crystals and the surrounding C-S-H matrix are assumed to cause the observed macroscopic swelling. A macroscopic bulk strain tensor calculated from the volume of formed ettringite is introduced for directly reproducing these expansions. Explicit up-scaling techniques applied on a simplified representation of the materials allow estimating both mechanical and diffusive properties of the evolving microstructure. The calculated macroscopic free expansions are in quite good agreement with experimental data, provided a correct calibration of the parameter involved in the expression of the bulk strain tensor. However, it is asserted that the model would lead to very high stress levels in the structures in the particular case of restrained displacements at its boundaries
DEFF Research Database (Denmark)
Hozjan, T.; Turk, G.; Rodman, U.
2011-01-01
This paper presents a study of sorption rate function in a so-called multi-Fickian or multi-phase model. This model describes the complex moisture transport system in wood, which consists of separate water-vapour and bound-water diffusion interacting through sorption. In the numerical example inf...... influence of the sorption rate function on water transport is presented. It can be seen that the sorption rate function has a noticeable influence on coupled water transport in wood....
Coupling effect on the electronic transport through dimolecular junctions
International Nuclear Information System (INIS)
Long, Meng-Qiu; Wang, Lingling; Chen, Ke-Qiu; Li, Xiao-Fei; Zou, B.S.; Shuai, Z.
2007-01-01
Using nonequilibrium Green's function and first-principle calculations, we investigate the transport behaviors of a dimolecule device with two 1,4-Dithiolbenzenes (DTB) sandwiched between two gold electrodes. The results show that the intermolecular coupling effect plays an important role in the conducting behavior of the system. By changing the dihedral angles between the two DTB molecules, namely changing the magnitude of the intermolecular interaction, a different transport behavior can be observed in the system
Modular coupling of transport and chemistry: theory and model applications
International Nuclear Information System (INIS)
Pfingsten, W.
1994-06-01
For the description of complex processes in the near-field of a radioactive waste repository, the coupling of transport and chemistry is necessary. A reason for the relatively minor use of coupled codes in this area is the high amount of computer time and storage capacity necessary for calculations by conventional codes, and lack of available data. The simple application of the sequentially coupled code MCOTAC, which couples one-dimensional advective, dispersive and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium, shows some promising features with respect to applicability to relevant problems. Transport, described by a random walk of multi-species particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term to ensure mass conservation. The modular-structured code was applied to three problems: a) incongruent dissolution of hydrated silicate gels, b) dissolution of portlandite and c) calcite dissolution and hypothetical dolomite precipitation. This allows for a comparison with other codes and their applications. The incongruent dissolution of cement phases, important for degradation of cementitious materials in a repository, can be included in the model without the problems which occur with a directly coupled code. The handling of a sharp multi-mineral front system showed a much faster calculation time compared to a directly coupled code application. Altogether, the results are in good agreement with other code calculations. Hence, the chosen modular concept of MCOTAC is more open to an easy extension of the code to include additional processes like sorption, kinetically controlled processes, transport in two or three spatial dimensions, and adaptation to new developments in computing (hardware and software), an important factor for applicability. (author) figs., tabs., refs
DEFF Research Database (Denmark)
Yeghiazarian, L.L.; Walker, M.J.; Binning, Philip John
2006-01-01
is important for accurate risk assessment and prediction of water contamination events. This paper presents a stochastic Markov model of microorganism transport, with distinct states of microorganism behavior capturing the microbial partitioning between solid and aqueous phases in runoff and soil surface...
Coupled models in porous media: reactive transport and fractures
International Nuclear Information System (INIS)
Amir, L.
2008-12-01
This thesis deals with numerical simulation of coupled models for flow and transport in porous media. We present a new method for coupling chemical reactions and transport by using a Newton-Krylov method, and we also present a model of flow in fractured media, based on a domain decomposition method that takes into account the case of intersecting fractures. This study is composed of three parts: the first part contains an analysis, and implementation, of various numerical methods for discretizing advection-diffusion problems, in particular by using operator splitting methods. The second part is concerned with a fully coupled method for modeling transport and chemistry problems. The coupled transport-chemistry model is described, after discretization in time, by a system of nonlinear equations. The size of the system, namely the number of grid points times the number a chemical species, precludes a direct solution of the linear system. To alleviate this difficulty, we solve the system by a Newton-Krylov method, so as to avoid forming and factoring the Jacobian matrix. In the last part, we present a model of flow in 3D for intersecting fractures, by using a domain decomposition method. The fractures are treated as interfaces between sub-domains. We show existence and uniqueness of the solution, and we validate the model by numerical tests. (author)
Inter-dot coupling effects on transport through correlated parallel
Indian Academy of Sciences (India)
Transport through symmetric parallel coupled quantum dot system has been studied, using non-equilibrium Green function formalism. The inter-dot tunnelling with on-dot and inter-dot Coulomb repulsion is included. The transmission coefficient and Landaur–Buttiker like current formula are shown in terms of internal states ...
Methodology for coupling computational fluid dynamics and integral transport neutronics
International Nuclear Information System (INIS)
Thomas, J. W.; Zhong, Z.; Sofu, T.; Downar, T. J.
2004-01-01
The CFD code STAR-CD was coupled to the integral transport code DeCART in order to provide high-fidelity, full physics reactor simulations. An interface program was developed to perform the tasks of mapping the STAR-CD mesh to the DeCART mesh, managing all communication between STAR-CD and DeCART, and monitoring the convergence of the coupled calculations. The interface software was validated by comparing coupled calculation results with those obtained using an independently developed interface program. An investigation into the convergence characteristics of coupled calculations was performed using several test models on a multiprocessor LINUX cluster. The results indicate that the optimal convergence of the coupled field calculation depends on several factors, to include the tolerance of the STAR-CD solution and the number of DeCART transport sweeps performed before exchanging data between codes. Results for a 3D, multi-assembly PWR problem on 12 PEs of the LINUX cluster indicate the best performance is achieved when the STAR-CD tolerance and number of DeCART transport sweeps are chosen such that the two fields converge at approximately the same rate. (authors)
ITS, TIGER System of Coupled Electron Photon Transport by Monte-Carlo
International Nuclear Information System (INIS)
Halbleib, J.A.; Mehlhorn, T.A.; Young, M.F.
1996-01-01
1 - Description of program or function: ITS permits a state-of-the-art Monte Carlo solution of linear time-integrated coupled electron/ photon radiation transport problems with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. 2 - Method of solution: Through a machine-portable utility that emulates the basic features of the CDC UPDATE processor, the user selects one of eight codes for running on a machine of one of four (at least) major vendors. With the ITS-3.0 release the PSR-0245/UPEML package is included to perform these functions. The ease with which this utility is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is maximized by employing the best available cross sections and sampling distributions, and the most complete physical model for describing the production and transport of the electron/ photon cascade from 1.0 GeV down to 1.0 keV. Flexibility of construction permits the codes to be tailored to specific applications and the capabilities of the codes to be extended to more complex applications through update procedures. 3 - Restrictions on the complexity of the problem: - Restrictions and/or limitations for ITS depend upon the local operating system
ITS Version 6 : the integrated TIGER series of coupled electron/photon Monte Carlo transport codes.
Energy Technology Data Exchange (ETDEWEB)
Franke, Brian Claude; Kensek, Ronald Patrick; Laub, Thomas William
2008-04-01
ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of lineartime-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the makefile system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 6, the latest version of ITS, contains (1) improvements to the ITS 5.0 codes, and (2) conversion to Fortran 90. The general user friendliness of the software has been enhanced through memory allocation to reduce the need for users to modify and recompile the code.
Faizrahnemoon, Mahsa; Schlote, Arieh; Maggi, Lorenzo; Crisostomi, Emanuele; Shorten, Robert
2015-11-01
This paper describes a Markov-chain-based approach to modelling multi-modal transportation networks. An advantage of the model is the ability to accommodate complex dynamics and handle huge amounts of data. The transition matrix of the Markov chain is built and the model is validated using the data extracted from a traffic simulator. A realistic test-case using multi-modal data from the city of London is given to further support the ability of the proposed methodology to handle big quantities of data. Then, we use the Markov chain as a control tool to improve the overall efficiency of a transportation network, and some practical examples are described to illustrate the potentials of the approach.
Quantum transport in coupled resonators enclosed synthetic magnetic flux
International Nuclear Information System (INIS)
Jin, L.
2016-01-01
Quantum transport properties are instrumental to understanding quantum coherent transport processes. Potential applications of quantum transport are widespread, in areas ranging from quantum information science to quantum engineering, and not restricted to quantum state transfer, control and manipulation. Here, we study light transport in a ring array of coupled resonators enclosed synthetic magnetic flux. The ring configuration, with an arbitrary number of resonators embedded, forms a two-arm Aharonov–Bohm interferometer. The influence of magnetic flux on light transport is investigated. Tuning the magnetic flux can lead to resonant transmission, while half-integer magnetic flux quantum leads to completely destructive interference and transmission zeros in an interferometer with two equal arms. -- Highlights: •The light transport is investigated through ring array of coupled resonators enclosed synthetic magnetic field. •Aharonov–Bohm ring interferometer of arbitrary configuration is investigated. •The half-integer magnetic flux quantum leads to destructive interference and transmission zeros for two-arm at equal length. •Complete transmission is available via tuning synthetic magnetic flux.
Coupled Transport Phenomena in the Opalinus Clay: Implications for Radionuclide Transport
International Nuclear Information System (INIS)
Soler, J.M.
1999-09-01
Coupled phenomena (thermal and chemical osmosis, hyperfiltration, coupled diffusion, thermal diffusion, thermal filtration, Dufour effect) may play an important role in fluid, solute and heat transport in clay-rich formations, such as the Opalinus Clay (OPA), which are being considered as potential hosts for radioactive waste repositories. In this study, the potential effects of coupled phenomena on radionuclide transport in the vicinity of a repository for vitrified high-level radioactive waste (HLW) and spent nuclear fuel (SF) hosted by the Opalinus Clay, at times equal to or greater than the expected lifetime of the waste canisters (about 1000 years), have been addressed. Firstly, estimates of the solute fluxes associated with chemical osmosis, hyperfiltration, thermal diffusion and thermal osmosis have been calculated. Available experimental data concerning coupled transport phenomena in compacted clays, and the hydrogeological and geochemical conditions to which the Opalinus Clay is subject, have been used for these estimates. These estimates suggest that thermal osmosis is the only coupled transport mechanism that could have a strong impact on solute and fluid transport in the vicinity of the repository. Secondly, estimates of the heat fluxes associated with thermal filtration and the Dufour effect in the vicinity of the repository have been calculated. The calculated heat fluxes are absolutely negligible compared to the heat flux caused by thermal conduction. As a further step to obtain additional insight into the effects of coupled phenomena on solute transport, the solute fluxes associated with advection, chemical diffusion, thermal and chemical osmosis, hyperfiltration and thermal diffusion have been incorporated into a simple one-dimensional transport equation. The analytical solution of this equation, with appropriate parameters, shows again that thermal osmosis is the only coupled transport mechanism that could have a strong effect on repository
Coupled Transport Phenomena in the Opalinus Clay: Implications for Radionuclide Transport
Energy Technology Data Exchange (ETDEWEB)
Soler, J.M.
1999-09-01
Coupled phenomena (thermal and chemical osmosis, hyperfiltration, coupled diffusion, thermal diffusion, thermal filtration, Dufour effect) may play an important role in fluid, solute and heat transport in clay-rich formations, such as the Opalinus Clay (OPA), which are being considered as potential hosts for radioactive waste repositories. In this study, the potential effects of coupled phenomena on radionuclide transport in the vicinity of a repository for vitrified high-level radioactive waste (HLW) and spent nuclear fuel (SF) hosted by the Opalinus Clay, at times equal to or greater than the expected lifetime of the waste canisters (about 1000 years), have been addressed. Firstly, estimates of the solute fluxes associated with chemical osmosis, hyperfiltration, thermal diffusion and thermal osmosis have been calculated. Available experimental data concerning coupled transport phenomena in compacted clays, and the hydrogeological and geochemical conditions to which the Opalinus Clay is subject, have been used for these estimates. These estimates suggest that thermal osmosis is the only coupled transport mechanism that could have a strong impact on solute and fluid transport in the vicinity of the repository. Secondly, estimates of the heat fluxes associated with thermal filtration and the Dufour effect in the vicinity of the repository have been calculated. The calculated heat fluxes are absolutely negligible compared to the heat flux caused by thermal conduction. As a further step to obtain additional insight into the effects of coupled phenomena on solute transport, the solute fluxes associated with advection, chemical diffusion, thermal and chemical osmosis, hyperfiltration and thermal diffusion have been incorporated into a simple one-dimensional transport equation. The analytical solution of this equation, with appropriate parameters, shows again that thermal osmosis is the only coupled transport mechanism that could have a strong effect on repository
International Nuclear Information System (INIS)
Zhang Aixia; Xue Jukui
2012-01-01
We propose a scheme to reveal the interplay between dipole–dipole interaction (DDI), inter-level coupling and macroscopic phase transitions in dipolar condensates. By considering a macroscopic sample of dipolar bosons in triple-well potentials, DDI-induced coupling between the inter-level physics and the macroscopic phase transitions is presented. When the DDI exceeds certain thresholds, the degeneracy of the two lowest energy levels and the excitation of new eigenstates occur, respectively. Interestingly, these thresholds give the boundaries of various quantum phase transitions. That is, the quantum phase transitions are the consequence of the levels' degeneracy and the new eigenstates' excitation. Furthermore, DDI-induced long-range macroscopic Josephson oscillations are observed and long-range coherent quantum transportation is achieved. Our results give clear proof of the interplay between the multi-level physics and quantum phase transitions, and also provide a way for designing the long-range coherent quantum transportation. (paper)
Ion sampling and transport in Inductively Coupled Plasma Mass Spectrometry
Farnsworth, Paul B.; Spencer, Ross L.
2017-08-01
Quantitative accuracy and high sensitivity in inductively coupled plasma mass spectrometry (ICP-MS) depend on consistent and efficient extraction and transport of analyte ions from an inductively coupled plasma to a mass analyzer, where they are sorted and detected. In this review we examine the fundamental physical processes that control ion sampling and transport in ICP-MS and compare the results of theory and computerized models with experimental efforts to characterize the flow of ions through plasma mass spectrometers' vacuum interfaces. We trace the flow of ions from their generation in the plasma, into the sampling cone, through the supersonic expansion in the first vacuum stage, through the skimmer, and into the ion optics that deliver the ions to the mass analyzer. At each stage we consider idealized behavior and departures from ideal behavior that affect the performance of ICP-MS as an analytical tool.
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
Influence of coupling phenomena on the transport through compacted clays
Energy Technology Data Exchange (ETDEWEB)
Rosanne, M.; Koudina, N.; Adler, P.M. [IPGP, Paris (France); Tevissen, E. [ANDRA, Dept. Etude-Experimentation et Calcul, Chatenay Malabry (France)
2001-07-01
Our principal motivation was to study the influence of the coupling phenomena on transport through compacted clays. Coupled transports may occur when a pressure gradient {nabla}P, and electrical field E and a concentration gradient {nabla}C interact. These three gradients induce three fluxes. A flow is generated characterized by the seepage velocity U; a solute flux J{sub L} and a current density I are generated. Close to equilibrium, when the gradients are not to large, the problem is linear and the fluxes are linear functions of the gradients. A first series of experiments was performed with argillite to determine the diagonal properties, i.e., permeability, conductivity, and diffusion coefficient. In a second series of experiments, the voltage resulting from an imposed concentration gradient between two reservoirs separated by a clay sample was systematically measured; this corresponds to the coefficient L{sub 13}. (orig.)
Vibrationally coupled electron transport through single-molecule junctions
Energy Technology Data Exchange (ETDEWEB)
Haertle, Rainer
2012-04-26
vibrational effects have a profound influence on the transport characteristics of a single-molecule contact and play therefore a fundamental role in this transport problem. Our findings demonstrate that vibrationally coupled electron transport through a molecular junction involves two types of processes: (i) transport processes, where an electron tunnels through the molecular bridge from one lead to the other, and (ii) electron-hole pair creation processes, where an electron tunnels from one of the leads onto the molecular bridge and back to the same lead again. Transport processes directly contribute to the electrical current flowing through a molecular contact and involve both excitation and deexcitation processes of the vibrational modes of the junction. Electron-hole pair creation processes do not directly contribute to the electrical current and typically involve only deexcitation processes. Nevertheless, they constitute a cooling mechanism for the vibrational modes of a single-molecule junction that is as important as cooling by transport processes. As the level of vibrational excitation determines the efficiency of electron transport processes, they have an indirect influence on the electrical current flowing through the junction. As we show, however, this influence can be substantial, in particular, if the molecule is coupled asymmetrically to the leads. Accounting for all these processes and their complex interrelationship, we analyze a number of intriguing transport phenomena, including rectification, negative differential resistance, anomalous peak broadening, mode-selective vibrational excitation and vibrationally induced decoherence. Moreover, we show that higher levels of vibrational excitation are obtained for weaker electronic-vibrational coupling. Thus, based on physical grounds, we establish a relation between the weak electronic-vibrational coupling limit and the limit of large bias voltages, where the level of vibrational excitation in a molecular junction
Coester, Annemieke M.; Smit, Watske; Struijk, Dirk G.; Krediet, Raymond T.
2009-01-01
Ultrafiltration in peritoneal dialysis occurs through endothelial water channels (free water transport) and together with solutes across small pores: solute coupled water transport. A review is given of cross-sectional studies and on the results of longitudinal follow-up
Transport zonation limits coupled nitrification-denitrification in permeable sediments
DEFF Research Database (Denmark)
Kessler, Adam John; Glud, R.N.; Cardenas, M.B.
2013-01-01
- and N-15-N-2 gas. The measured two-dimensional profiles correlate with computational model simulations, showing a deep pool of N-2 gas forming, and being advected to the surface below ripple peaks. Further isotope pairing calculations on these data indicate that coupled nitrification......-denitrification is severely limited in permeable sediments because the flow and transport field limits interaction between oxic and anoxic pore water. The approach allowed for new detailed insight into subsurface denitrification zones in complex permeable sediments....
Coupling between solute transport and chemical reactions models
International Nuclear Information System (INIS)
Samper, J.; Ajora, C.
1993-01-01
During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs
Vibronic coupling effect on the electron transport through molecules
Tsukada, Masaru; Mitsutake, Kunihiro
2007-03-01
Electron transport through molecular bridges or molecular layers connected to nano-electrodes is determined by the combination of coherent and dissipative processes, controlled by the electron-vibron coupling, transfer integrals between the molecular orbitals, applied electric field and temperature. We propose a novel theoretical approach, which combines ab initio molecular orbital method with analytical many-boson model. As a case study, the long chain model of the thiophene oligomer is solved by a variation approach. Mixed states of moderately extended molecular orbital states mediated and localised by dress of vibron cloud are found as eigen-states. All the excited states accompanied by multiple quanta of vibration can be solved, and the overall carrier transport properties including the conductance, mobility, dissipation spectra are analyzed by solving the master equation with the transition rates estimated by the golden rule. We clarify obtained in a uniform systematic way, how the transport mode changes from a dominantly coherent transport to the dissipative hopping transport.
Transport regimes spanning magnetization-coupling phase space
Baalrud, Scott D.; Daligault, Jérôme
2017-10-01
The manner in which transport properties vary over the entire parameter-space of coupling and magnetization strength is explored. Four regimes are identified based on the relative size of the gyroradius compared to other fundamental length scales: the collision mean free path, Debye length, distance of closest approach, and interparticle spacing. Molecular dynamics simulations of self-diffusion and temperature anisotropy relaxation spanning the parameter space are found to agree well with the predicted boundaries. Comparison with existing theories reveals regimes where they succeed, where they fail, and where no theory has yet been developed.
Coupled electron/photon transport in static external magnetic fields
International Nuclear Information System (INIS)
Halbleib, J.A. Sr.; Vandevender, W.H.
A model is presented which describes coupled electron/photon transport in the presence of static magnetic fields of arbitrary spatial dependence. The method combines state-of-the-art condensed-history electron collisional Monte Carlo and single-scattering photon Monte Carlo, including electron energy-loss straggling and the production and transport of all generations of secondaries, with numerical field integration via the best available variable-step-size Runge-Kutta-Fehlberg or variable-order/variable-step-size Adams PECE differential equation solvers. A three-dimensional cartesian system is employed in the description of particle trajectories. Although the present model is limited to multilayer material configurations, extension to more complex material geometries should not be difficult. Among the more important options are (1) a feature which permits the neglect of field effects in regions where transport is collision dominated and (2) a method for describing the transport in variable-density media where electron energies and material densities are sufficiently low that the density effect on electronic stopping powers may be neglected. (U.S.)
Transport spectroscopy of coupled donors in silicon nano-transistors
Moraru, Daniel; Samanta, Arup; Anh, Le The; Mizuno, Takeshi; Mizuta, Hiroshi; Tabe, Michiharu
2014-01-01
The impact of dopant atoms in transistor functionality has significantly changed over the past few decades. In downscaled transistors, discrete dopants with uncontrolled positions and number induce fluctuations in device operation. On the other hand, by gaining access to tunneling through individual dopants, a new type of devices is developed: dopant-atom-based transistors. So far, most studies report transport through dopants randomly located in the channel. However, for practical applications, it is critical to control the location of the donors with simple techniques. Here, we fabricate silicon transistors with selectively nanoscale-doped channels using nano-lithography and thermal-diffusion doping processes. Coupled phosphorus donors form a quantum dot with the ground state split into a number of levels practically equal to the number of coupled donors, when the number of donors is small. Tunneling-transport spectroscopy reveals fine features which can be correlated with the different numbers of donors inside the quantum dot, as also suggested by first-principles simulation results. PMID:25164032
International Nuclear Information System (INIS)
Tyobeka, B.; Ivanov, K.; Pautz, A.
2007-01-01
In the advent of increased demand for safety and economics of nuclear power plants, nuclear engineers and designers are called upon to develop advanced computation tools. In these developments, space-time effects in the dynamics of nuclear reactors must be considered within the framework of a full 3-dimensional treatment of both neutron kinetics and thermal hydraulics. In a recent effort at the Pennsylvania State University, a time-dependent version of the discrete ordinates transport code DORT, DORT-TD was coupled to a 2-dimensional core thermal hydraulics code THERMIX-DIREKT. In the coupling process, a feedback model was developed to account for the feedback effects and was implemented into DORT-TD. During the calculation process for each spatial node of the DORT-TD core model, feedback parameters representative of this node are passed to the feedback module. Using these values, cross section tables are then interpolated for the appropriate macroscopic cross section values. The updated macroscopic cross sections are passed back to DORT-TD to perform transport core calculations, and the power distribution is transferred to THERMIX-DIREKT to obtain the relevant thermal-hydraulics data in turn, and this calculation loop continues. In this paper, DORT-TD/THERMIX is used to simulate transients of interest in the PBMR (Pebble Bed Modular Reactor) safety using established benchmark problems: load change from 100% to 40% power and fast control rod ejection (PBMR-268 benchmark problem). The results obtained are compared with those obtained using the diffusion-based module of the code. The results are only preliminary and so far show that diffusion theory is not such a bad approximation for PBMR for the prediction of integral parameters
Coupled Eulerian-Lagrangian transport of large debris by tsunamis
Conde, Daniel A. S.; Ferreira, Rui M. L.; Sousa Oliveira, Carlos
2016-04-01
Tsunamis are notorious for the large disruption they can cause on coastal environments, not only due to the imparted momentum of the incoming wave but also due to its capacity to transport large quantities of solid debris, either from natural or human-made sources, over great distances. A 2DH numerical model under development at CERIS-IST (Ferreira et al., 2009; Conde, 2013) - STAV2D - capable of simulating solid transport in both Eulerian and Lagrangian paradigms will be used to assess the relevance of Lagrangian-Eulerian coupling when modelling the transport of solid debris by tsunamis. The model has been previously validated and applied to tsunami scenarios (Conde, 2013), being well-suited for overland tsunami propagation and capable of handling morphodynamic changes in estuaries and seashores. The discretization scheme is an explicit Finite Volume technique employing flux-vector splitting and a reviewed Roe-Riemann solver. Source term formulations are employed in a semi-implicit way, including the two-way coupling of the Lagrangian and Eulerian solvers by means of conservative mass and momentum transfers between fluid and solid phases. The model was applied to Sines Port, a major commercial port in Portugal, where two tsunamigenic scenarios are considered: an 8.5 Mw scenario, consistent with the Great Lisbon Earthquake and Tsunami of the 1st November 1755 (Baptista, 2009), and an hypothetical 9.5 Mw worst-case scenario based on the same historical event. Open-ocean propagation of these scenarios were simulated with GeoClaw model from ClawPack (Leveque, 2011). Following previous efforts on the modelling of debris transport by tsunamis in seaports (Conde, 2015), this work discusses the sensitivity of the obtained results with respect to the phenomenological detail of the employed Eulerian-Lagrangian formulation and the resolution of the mesh used in the Eulerian solver. The results have shown that the fluid to debris mass ratio is the key parameter regarding the
Implications of Lagrangian transport for coupled chemistry-climate simulations
Stenke, A.; Dameris, M.; Grewe, V.; Garny, H.
2008-10-01
For the first time a purely Lagrangian transport algorithm is applied in a fully coupled chemistry-climate model (CCM). We use the Lagrangian scheme ATTILA for the transport of water vapour, cloud water and chemical trace species in the ECHAM4.L39(DLR)/CHEM (E39C) CCM. The advantage of the Lagrangian approach is that it is numerically non-diffusive and therefore maintains steeper and more realistic gradients than the operational semi-Lagrangian transport scheme. In case of radiatively active species changes in the simulated distributions feed back to model dynamics which in turn affect the modelled transport. The implications of the Lagrangian transport scheme for stratospheric model dynamics and tracer distributions in the upgraded model version E39C-ATTILA (E39C-A) are evaluated by comparison with observations and results of the E39C model with the operational semi-Lagrangian advection scheme. We find that several deficiencies in stratospheric dynamics in E39C seem to originate from a pronounced modelled wet bias and an associated cold bias in the extra-tropical lowermost stratosphere. The reduction of the simulated moisture and temperature bias in E39C-A leads to a significant advancement of stratospheric dynamics in terms of the mean state as well as annual and interannual variability. As a consequence of the favourable numerical characteristics of the Lagrangian transport scheme and the improved model dynamics, E39C-A generally shows more realistic stratospheric tracer distributions: Compared to E39C high stratospheric chlorine (Cly) concentrations extend further downward and agree now well with analyses derived from observations. Therefore E39C-A realistically covers the altitude of maximum ozone depletion in the stratosphere. The location of the ozonopause, i.e. the transition from low tropospheric to high stratospheric ozone values, is also clearly improved in E39C-A. Furthermore, the simulated temporal evolution of stratospheric Cly in the past is
Coupled Modeling of Rhizosphere and Reactive Transport Processes
Roque-Malo, S.; Kumar, P.
2017-12-01
The rhizosphere, as a bio-diverse plant root-soil interface, hosts many hydrologic and biochemical processes, including nutrient cycling, hydraulic redistribution, and soil carbon dynamics among others. The biogeochemical function of root networks, including the facilitation of nutrient cycling through absorption and rhizodeposition, interaction with micro-organisms and fungi, contribution to biomass, etc., plays an important role in myriad Critical Zone processes. Despite this knowledge, the role of the rhizosphere on watershed-scale ecohydrologic functions in the Critical Zone has not been fully characterized, and specifically, the extensive capabilities of reactive transport models (RTMs) have not been applied to these hydrobiogeochemical dynamics. This study uniquely links rhizospheric processes with reactive transport modeling to couple soil biogeochemistry, biological processes, hydrologic flow, hydraulic redistribution, and vegetation dynamics. Key factors in the novel modeling approach are: (i) bi-directional effects of root-soil interaction, such as simultaneous root exudation and nutrient absorption; (ii) multi-state biomass fractions in soil (i.e. living, dormant, and dead biological and root materials); (iii) expression of three-dimensional fluxes to represent both vertical and lateral interconnected flows and processes; and (iv) the potential to include the influence of non-stationary external forcing and climatic factors. We anticipate that the resulting model will demonstrate the extensive effects of plant root dynamics on ecohydrologic functions at the watershed scale and will ultimately contribute to a better characterization of efflux from both agricultural and natural systems.
Dual states estimation of a subsurface flow-transport coupled model using ensemble Kalman filtering
El Gharamti, Mohamad; Hoteit, Ibrahim; Valstar, Johan R.
2013-01-01
Modeling the spread of subsurface contaminants requires coupling a groundwater flow model with a contaminant transport model. Such coupling may provide accurate estimates of future subsurface hydrologic states if essential flow and contaminant data
Hu, Li; Jiang, Shuyong; Zhou, Tao; Tu, Jian; Shi, Laixin; Chen, Qiang; Yang, Mingbo
2017-10-13
Numerical modeling of microstructure evolution in various regions during uniaxial compression and canning compression of NiTi shape memory alloy (SMA) are studied through combined macroscopic and microscopic finite element simulation in order to investigate plastic deformation of NiTi SMA at 400 °C. In this approach, the macroscale material behavior is modeled with a relatively coarse finite element mesh, and then the corresponding deformation history in some selected regions in this mesh is extracted by the sub-model technique of finite element code ABAQUS and subsequently used as boundary conditions for the microscale simulation by means of crystal plasticity finite element method (CPFEM). Simulation results show that NiTi SMA exhibits an inhomogeneous plastic deformation at the microscale. Moreover, regions that suffered canning compression sustain more homogeneous plastic deformation by comparison with the corresponding regions subjected to uniaxial compression. The mitigation of inhomogeneous plastic deformation contributes to reducing the statistically stored dislocation (SSD) density in polycrystalline aggregation and also to reducing the difference of stress level in various regions of deformed NiTi SMA sample, and therefore sustaining large plastic deformation in the canning compression process.
Directory of Open Access Journals (Sweden)
Li Hu
2017-10-01
Full Text Available Numerical modeling of microstructure evolution in various regions during uniaxial compression and canning compression of NiTi shape memory alloy (SMA are studied through combined macroscopic and microscopic finite element simulation in order to investigate plastic deformation of NiTi SMA at 400 °C. In this approach, the macroscale material behavior is modeled with a relatively coarse finite element mesh, and then the corresponding deformation history in some selected regions in this mesh is extracted by the sub-model technique of finite element code ABAQUS and subsequently used as boundary conditions for the microscale simulation by means of crystal plasticity finite element method (CPFEM. Simulation results show that NiTi SMA exhibits an inhomogeneous plastic deformation at the microscale. Moreover, regions that suffered canning compression sustain more homogeneous plastic deformation by comparison with the corresponding regions subjected to uniaxial compression. The mitigation of inhomogeneous plastic deformation contributes to reducing the statistically stored dislocation (SSD density in polycrystalline aggregation and also to reducing the difference of stress level in various regions of deformed NiTi SMA sample, and therefore sustaining large plastic deformation in the canning compression process.
Macroscopic theory of superconductors
International Nuclear Information System (INIS)
Carr, W.J. Jr.
1981-01-01
A macroscopic theory for bulk superconductors is developed in the framework of the theory for other magnetic materials, where ''magnetization'' current is separated from ''free'' current on the basis of scale. This contrasts with the usual separation into equilibrium and nonequilibrium currents. In the present approach magnetization, on a large macroscopic scale, results from the vortex current, while the Meissner current and other surface currents are surface contributions to the Maxwell j. The results are important for the development of thermodynamics in type-II superconductors. The advantage of the description developed here is that magnetization becomes a local concept and its associated magnetic field can be given physical meaning
Macroscopic magnetic Self assembly
Löthman, Per Arvid
2018-01-01
Exploring the macroscopic scale's similarities to the microscale is part and parcel of this thesis as reflected in the research question: what can we learn about the microscopic scale by studying the macroscale? Investigations of the environment in which the self-assembly takes place, and the
Energy Coupling Factor-Type ABC Transporters for Vitamin Uptake in Prokaryotes
Erkens, Guus B.; Dosz-Majsnerowska, Maria; ter Beek, Josy; Slotboom, Dirk Jan
2012-01-01
Energy coupling factor (ECF) transporters are a subgroup of ATP-binding cassette (ABC) transporters involved in the uptake of vitamins and micronutrients in prokaryotes. In contrast to classical ABC importers, ECF transporters do not make use of water-soluble substrate binding proteins or domains
Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.
2013-01-01
A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the
How LeuT shapes our understanding of the mechanisms of sodium-coupled neurotransmitter transporters.
Penmatsa, Aravind; Gouaux, Eric
2014-03-01
Neurotransmitter transporters are ion-coupled symporters that drive the uptake of neurotransmitters from neural synapses. In the past decade, the structure of a bacterial amino acid transporter, leucine transporter (LeuT), has given valuable insights into the understanding of architecture and mechanism of mammalian neurotransmitter transporters. Different conformations of LeuT, including a substrate-free state, inward-open state, and competitive and non-competitive inhibitor-bound states, have revealed a mechanistic framework for the transport and transport inhibition of neurotransmitters. The current review integrates our understanding of the mechanistic and pharmacological properties of eukaryotic neurotransmitter transporters obtained through structural snapshots of LeuT.
Directory of Open Access Journals (Sweden)
Wenxia Zhai
2017-06-01
Full Text Available The relationship between transportation infrastructure investment and regional economic growth has been the focus of domestic and foreign academic research. Using the models of coupling degree and coupling coordination degree, this paper calculated the coupling degree and coupling coordination degree between the comprehensive level of transportation infrastructure investment and economic development in Hubei province and its 17 cities, and analyzed its temporal and spatial characteristics. The result showed that, from 2001 to 2013, the coupling and coupling coordination between transportation infrastructure investment and economic development in Hubei province were on a steady rise in the time sequence characteristics. It experienced the upgrade from the uncoordinated – nearly uncoordinated – barely coordinated – intermediately coordinated stages. In the year of 2013, the coupling and coupling coordination of transportation infrastructure investment and economic development in the 17 prefecture-level cities of Hubei Province showed a very uneven spatial difference. Good coordination, primary coordination, barely coordinate, and barely in-coordination are distributed in the province. The average coordination degree of the 17 prefecture-level cities in Hubei is relatively low, and there is a negative tend to expand the difference. This study has confirmed the relationship between transportation infrastructure investment and the economic development to be in an interactive coupling and coordination, but in different regions and different stages, the degree of coordination has obvious spatial and temporal differences.
A Loose Relationship: Incomplete H+/Sugar Coupling in the MFS Sugar Transporter GlcP.
Bazzone, Andre; Zabadne, Annas J; Salisowski, Anastasia; Madej, M Gregor; Fendler, Klaus
2017-12-19
The glucose transporter from Staphylococcus epidermidis, GlcP Se , is a homolog of the human GLUT sugar transporters of the major facilitator superfamily. Together with the xylose transporter from Escherichia coli, XylE Ec , the other prominent prokaryotic GLUT homolog, GlcP Se , is equipped with a conserved proton-binding site arguing for an electrogenic transport mode. However, the electrophysiological analysis of GlcP Se presented here reveals important differences between the two GLUT homologs. GlcP Se , unlike XylE Ec , does not perform steady-state electrogenic transport at symmetrical pH conditions. Furthermore, when a pH gradient is applied, partially uncoupled transport modes can be generated. In contrast to other bacterial sugar transporters analyzed so far, in GlcP Se sugar binding, translocation and release are also accomplished by the deprotonated transporter. Based on these experimental results, we conclude that coupling of sugar and H + transport is incomplete in GlcP Se . To verify the viability of the observed partially coupled GlcP Se transport modes, we propose a universal eight-state kinetic model in which any degree of coupling is realized and H + /sugar symport represents only a specific instance. Furthermore, using sequence comparison with strictly coupled XylE Ec and similar sugar transporters, we identify an additional charged residue that may be essential for effective H + /sugar symport. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.
Superposition and macroscopic observation
International Nuclear Information System (INIS)
Cartwright, N.D.
1976-01-01
The principle of superposition has long plagued the quantum mechanics of macroscopic bodies. In at least one well-known situation - that of measurement - quantum mechanics predicts a superposition. It is customary to try to reconcile macroscopic reality and quantum mechanics by reducing the superposition to a mixture. To establish consistency with quantum mechanics, values for the apparatus after a measurement are to be distributed in the way predicted by the superposition. The distributions observed, however, are those of the mixture. The statistical predictions of quantum mechanics, it appears, are not borne out by observation in macroscopic situations. It has been shown that, insofar as specific ergodic hypotheses apply to the apparatus after the interaction, the superposition which evolves is experimentally indistinguishable from the corresponding mixture. In this paper an idealized model of the measuring situation is presented in which this consistency can be demonstrated. It includes a simplified version of the measurement solution proposed by Daneri, Loinger, and Prosperi (1962). The model should make clear the kind of statistical evidence required to carry of this approach, and the role of the ergodic hypotheses assumed. (Auth.)
CARRIER TRANSPORT IN MESOSCOPIC SILICON-COUPLED SUPERCONDUCTING JUNCTIONS
VANHUFFELEN, WM; KLAPWIJK, TM; HESLINGA, DR; DEBOER, MJ; VANDERPOST, N
1993-01-01
An overview is presented of experimental results on supercurrent flow and transport at finite voltages in a well-characterized, sandwich-type superconductor-semiconductor-superconductor junction. Carrier transport through the structure is found to be dominated by the interfaces. At low temperatures,
A Coupled Chemical and Mass Transport Model for Concrete Durability
DEFF Research Database (Denmark)
Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica
2012-01-01
In this paper a general continuum theory is used to evaluate the service life of cement based materials, in terms of mass transport processes and chemical degradation of the solid matrix. The model established is a reactive mass transport model, based on an extended version of the Poisson-Nernst-...
Effect of spin rotation coupling on spin transport
International Nuclear Information System (INIS)
Chowdhury, Debashree; Basu, B.
2013-01-01
We have studied the spin rotation coupling (SRC) as an ingredient to explain different spin-related issues. This special kind of coupling can play the role of a Dresselhaus like coupling in certain conditions. Consequently, one can control the spin splitting, induced by the Dresselhaus like term, which is unusual in a semiconductor heterostructure. Within this framework, we also study the renormalization of the spin-dependent electric field and spin current due to the k → ⋅p → perturbation, by taking into account the interband mixing in the rotating system. In this paper we predict the enhancement of the spin-dependent electric field resulting from the renormalized spin rotation coupling. The renormalization factor of the spin electric field is different from that of the SRC or Zeeman coupling. The effect of renormalized SRC on spin current and Berry curvature is also studied. Interestingly, in the presence of this SRC-induced SOC it is possible to describe spin splitting as well as spin galvanic effect in semiconductors. -- Highlights: •Studied effect of spin rotation coupling on the spin electric field, spin current and Berry curvature. •In the k → ⋅p → framework we study the renormalization of spin electric field and spin current. •For an inertial system we have discussed the spin splitting. •Expression for the Berry phase in the inertial system is discussed. •The inertial spin galvanic effect is studied
Effect of spin rotation coupling on spin transport
Energy Technology Data Exchange (ETDEWEB)
Chowdhury, Debashree, E-mail: debashreephys@gmail.com; Basu, B., E-mail: sribbasu@gmail.com
2013-12-15
We have studied the spin rotation coupling (SRC) as an ingredient to explain different spin-related issues. This special kind of coupling can play the role of a Dresselhaus like coupling in certain conditions. Consequently, one can control the spin splitting, induced by the Dresselhaus like term, which is unusual in a semiconductor heterostructure. Within this framework, we also study the renormalization of the spin-dependent electric field and spin current due to the k{sup →}⋅p{sup →} perturbation, by taking into account the interband mixing in the rotating system. In this paper we predict the enhancement of the spin-dependent electric field resulting from the renormalized spin rotation coupling. The renormalization factor of the spin electric field is different from that of the SRC or Zeeman coupling. The effect of renormalized SRC on spin current and Berry curvature is also studied. Interestingly, in the presence of this SRC-induced SOC it is possible to describe spin splitting as well as spin galvanic effect in semiconductors. -- Highlights: •Studied effect of spin rotation coupling on the spin electric field, spin current and Berry curvature. •In the k{sup →}⋅p{sup →} framework we study the renormalization of spin electric field and spin current. •For an inertial system we have discussed the spin splitting. •Expression for the Berry phase in the inertial system is discussed. •The inertial spin galvanic effect is studied.
Proton movement and coupling in the POT family of peptide transporters.
Parker, Joanne L; Li, Chenghan; Brinth, Allete; Wang, Zhi; Vogeley, Lutz; Solcan, Nicolae; Ledderboge-Vucinic, Gregory; Swanson, Jessica M J; Caffrey, Martin; Voth, Gregory A; Newstead, Simon
2017-12-12
POT transporters represent an evolutionarily well-conserved family of proton-coupled transport systems in biology. An unusual feature of the family is their ability to couple the transport of chemically diverse ligands to an inwardly directed proton electrochemical gradient. For example, in mammals, fungi, and bacteria they are predominantly peptide transporters, whereas in plants the family has diverged to recognize nitrate, plant defense compounds, and hormones. Although recent structural and biochemical studies have identified conserved sites of proton binding, the mechanism through which transport is coupled to proton movement remains enigmatic. Here we show that different POT transporters operate through distinct proton-coupled mechanisms through changes in the extracellular gate. A high-resolution crystal structure reveals the presence of ordered water molecules within the peptide binding site. Multiscale molecular dynamics simulations confirm proton transport occurs through these waters via Grotthuss shuttling and reveal that proton binding to the extracellular side of the transporter facilitates a reorientation from an inward- to outward-facing state. Together these results demonstrate that within the POT family multiple mechanisms of proton coupling have likely evolved in conjunction with variation of the extracellular gate. Copyright © 2017 the Author(s). Published by PNAS.
Charge and Spin Transport in Spin-orbit Coupled and Topological Systems
Ndiaye, Papa Birame
2017-01-01
for next-generation technology, three classes of systems that possibly enhance the spin and charge transport efficiency: (i)- topological insulators, (ii)- spin-orbit coupled magnonic systems, (iii)- topological magnetic textures (skyrmions and 3Q magnetic
Coupling of Groundwater Transport and Plant Uptake Models
DEFF Research Database (Denmark)
Rein, Arno; Bauer-Gottwein, Peter; Trapp, Stefan
2010-01-01
in environmental systems at different scale. Feedback mechanisms between plants and hydrological systems can play an important role, however having received little attention to date. Here, a new model concept for dynamic plant uptake models applying analytical matrix solutions is presented, which can be coupled...
International Nuclear Information System (INIS)
Schaefer, C.; Jansen, A. P. J.
2013-01-01
We have developed a method to couple kinetic Monte Carlo simulations of surface reactions at a molecular scale to transport equations at a macroscopic scale. This method is applicable to steady state reactors. We use a finite difference upwinding scheme and a gap-tooth scheme to efficiently use a limited amount of kinetic Monte Carlo simulations. In general the stochastic kinetic Monte Carlo results do not obey mass conservation so that unphysical accumulation of mass could occur in the reactor. We have developed a method to perform mass balance corrections that is based on a stoichiometry matrix and a least-squares problem that is reduced to a non-singular set of linear equations that is applicable to any surface catalyzed reaction. The implementation of these methods is validated by comparing numerical results of a reactor simulation with a unimolecular reaction to an analytical solution. Furthermore, the method is applied to two reaction mechanisms. The first is the ZGB model for CO oxidation in which inevitable poisoning of the catalyst limits the performance of the reactor. The second is a model for the oxidation of NO on a Pt(111) surface, which becomes active due to lateral interaction at high coverages of oxygen. This reaction model is based on ab initio density functional theory calculations from literature.
Geometry and transport in a model of two coupled quadratic nonlinear waveguides
DEFF Research Database (Denmark)
Stirling, James R.; Bang, Ole; Christiansen, Peter Leth
2008-01-01
This paper applies geometric methods developed to understand chaos and transport in Hamiltonian systems to the study of power distribution in nonlinear waveguide arrays. The specific case of two linearly coupled X(2) waveguides is modeled and analyzed in terms of transport and geometry in the pha...
Temporal moment analysis of solute transport in a coupled fracture ...
Indian Academy of Sciences (India)
by considering an inlet boundary condition of constant continuous source in a single fracture. The effect of various fracture-skin parameters like porosity, thickness and ... Study on fluid flow and transport of solute through fractures has been an .... of solutes is happening normal to the direction of flow due to the free molecular.
Axial SPN and radial MOC coupled whole core transport calculation
International Nuclear Information System (INIS)
Cho, Jin-Young; Kim, Kang-Seog; Lee, Chung-Chan; Zee, Sung-Quun; Joo, Han-Gyu
2007-01-01
The Simplified P N (SP N ) method is applied to the axial solution of the two-dimensional (2-D) method of characteristics (MOC) solution based whole core transport calculation. A sub-plane scheme and the nodal expansion method (NEM) are employed for the solution of the one-dimensional (1-D) SP N equations involving a radial transverse leakage. The SP N solver replaces the axial diffusion solver of the DeCART direct whole core transport code to provide more accurate, transport theory based axial solutions. In the sub-plane scheme, the radial equivalent homogenization parameters generated by the local MOC for a thick plane are assigned to the multiple finer planes in the subsequent global three-dimensional (3-D) coarse mesh finite difference (CMFD) calculation in which the NEM is employed for the axial solution. The sub-plane scheme induces a much less nodal error while having little impact on the axial leakage representation of the radial MOC calculation. The performance of the sub-plane scheme and SP N nodal transport solver is examined by solving a set of demonstrative problems and the C5G7MOX 3-D extension benchmark problems. It is shown in the demonstrative problems that the nodal error reaching upto 1,400 pcm in a rodded case is reduced to 10 pcm by introducing 10 sub-planes per MOC plane and the transport error is reduced from about 150 pcm to 10 pcm by using SP 3 . Also it is observed, in the C5G7MOX rodded configuration B problem, that the eigenvalues and pin power errors of 180 pcm and 2.2% of the 10 sub-planes diffusion case are reduced to 40 pcm and 1.4%, respectively, for SP 3 with only about a 15% increase in the computing time. It is shown that the SP 5 case gives very similar results to the SP 3 case. (author)
International Nuclear Information System (INIS)
Pfingsten, W.
1996-01-01
Safety assessments for radioactive waste repositories require a detailed knowledge of physical, chemical, hydrological, and geological processes for long time spans. In the past, individual models for hydraulics, transport, or geochemical processes were developed more or less separately to great sophistication for the individual processes. Such processes are especially important in the near field of a waste repository. Attempts have been made to couple at least two individual processes to get a more adequate description of geochemical systems. These models are called coupled codes; they couple predominantly a multicomponent transport model with a chemical reaction model. Here reactive transport is modeled by the sequentially coupled code MCOTAC that couples one-dimensional advective, dispersive, and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium. Transport, described by a random walk of multispecies particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term. The modular-structured code was applied to incongruent dissolution of hydrated silicate gels, to movement of multiple solid front systems, and to an artificial, numerically difficult heterogeneous redox problem. These applications show promising features with respect to applicability to relevant problems and possibilities of extensions
Nuclear physics: Macroscopic aspects
International Nuclear Information System (INIS)
Swiatecki, W.J.
1993-12-01
A systematic macroscopic, leptodermous approach to nuclear statics and dynamics is described, based formally on the assumptions ℎ → 0 and b/R << 1, where b is the surface diffuseness and R the nuclear radius. The resulting static model of shell-corrected nuclear binding energies and deformabilities is accurate to better than 1 part in a thousand and yields a firm determination of the principal properties of the nuclear fluid. As regards dynamics, the above approach suggests that nuclear shape evolutions will often be dominated by dissipation, but quantitative comparisons with experimental data are more difficult than in the case of statics. In its simplest liquid drop version the model exhibits interesting formal connections to the classic astronomical problem of rotating gravitating masses
Directory of Open Access Journals (Sweden)
Jun Wang
2015-01-01
Full Text Available The aim of this paper is to develop a new frequency response function- (FRF- based indirect inverse substructuring method without measuring system-level FRFs in the coupling DOFs for the analysis of the dynamic characteristics of a three-substructure coupled product transport system with rigid and flexible coupling. By enforcing the dynamic equilibrium conditions at the coupling coordinates and the displacement compatibility conditions, a closed-form analytical solution to inverse substructuring analysis of multisubstructure coupled product transport system is derived based on the relationship of easy-to-monitor component-level FRFs and the system-level FRFs at the coupling coordinates. The proposed method is validated by a lumped mass-spring-damper model, and the predicted coupling dynamic stiffness is compared with the direct computation, showing exact agreement. The method developed offers an approach to predict the unknown coupling dynamic stiffness from measured FRFs purely. The suggested method may help to obtain the main controlling factors and contributions from the various structure-borne paths for product transport system.
Coupled-resonator waveguide perfect transport single-photon by interatomic dipole-dipole interaction
Yan, Guo-an; Lu, Hua; Qiao, Hao-xue; Chen, Ai-xi; Wu, Wan-qing
2018-06-01
We theoretically investigate single-photon coherent transport in a one-dimensional coupled-resonator waveguide coupled to two quantum emitters with dipole-dipole interactions. The numerical simulations demonstrate that the transmission spectrum of the photon depends on the two atoms dipole-dipole interactions and the photon-atom couplings. The dipole-dipole interactions may change the dip positions in the spectra and the coupling strength may broaden the frequency band width in the transmission spectrum. We further demonstrate that the typical transmission spectra split into two dips due to the dipole-dipole interactions. This phenomenon may be used to manufacture new quantum waveguide devices.
Transverse transport in coupled strongly correlated electronic chains
International Nuclear Information System (INIS)
Capponi, S.; Poilblanc, D.
1997-01-01
One-particle interchain hopping in a system of coupled Luttinger liquids is investigated by use of exact diagonalizations techniques. We give numerical evidence that inter-chain coherent hopping (defined by a non-vanishing splitting) can be totally suppressed for the Luttinger liquid exponent α ∝ 0.4 or even smaller α values. The transverse conductivity is shown to exhibit a strong incoherent part even when coherent inter-chain hopping is believed to occur. Implications for the optical experiments in quasi-1D organic or high-T c superconductors is outlined. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Bal, G.
1995-07-01
To achieve whole core calculations of the neutron transport equation, we have to follow this 2 step method: space and energy homogenization of the assemblies; resolution of the homogenized equation on the whole core. However, this is no more valid when accidents occur (for instance depressurization causing locally strong heterogeneous media). One solution consists then in coupling two kinds of resolutions: a fine computation on the damaged cell (fine mesh, high number of energy groups) coupled with a coarse one everywhere else. We only deal here with steady state solutions (which already live in 6D spaces). We present here two such methods: The coupling by transmission of homogenized sections and the coupling by transmission of boundary conditions. To understand what this coupling is, we first restrict ourselves to 1D with respect to space in one energy group. The first two chapters deal with a recall of basic properties of the neutron transport equation. We give at chapter 3 some indications of the behaviour of the flux with respect to the cross sections. We present at chapter 4 some couplings and give some properties. Chapter 5 is devoted to a presentation of some numerical applications. (author). 9 refs., 7 figs.
Development of a Coupled Fluid and Colloidall Particle Transport Model
Ripplinger, Scott
2013-01-01
A colloidal system usually refers to when very small particles are suspended within a solution. The study of these systems encompasses a variety of cases including bacteria in ground water, blood cells and platelets in blood plasma, and river silt transport. Taking a look at these kinds of systems using computer simulation can provide a great deal of insight into how they work. Most approaches to date do not look at the details of the system, however, and are specific to given system. In this...
Some results on the neutron transport and the coupling of equations
International Nuclear Information System (INIS)
Bal, G.
1997-01-01
Neutron transport in nuclear reactors is well modeled by the linear Boltzmann transport equation. Its resolution is relatively easy but very expensive. To achieve whole core calculations, one has to consider simpler models, such as diffusion or homogeneous transport equations. However, the solutions may become inaccurate in particular situations (as accidents for instance). That is the reason why we wish to solve the equations on small area accurately and more coarsely on the remaining part of the core. It is than necessary to introduce some links between different discretizations or modelizations. In this note, we give some results on the coupling of different discretizations of all degrees of freedom of the integral-differential neutron transport equation (two degrees for the angular variable, on for the energy component, and two or three degrees for spatial position respectively in 2D (cylindrical symmetry) and 3D). Two chapters are devoted to the coupling of discrete ordinates methods (for angular discretization). The first one is theoretical and shows the well posing of the coupled problem, whereas the second one deals with numerical applications of practical interest (the results have been obtained from the neutron transport code developed at the R and D, which has been modified for introducing the coupling). Next, we present the nodal scheme RTN0, used for the spatial discretization. We show well posing results for the non-coupled and the coupled problems. At the end, we deal with the coupling of energy discretizations for the multigroup equations obtained by homogenization. Some theoretical results of the discretization of the velocity variable (well-posing of problems), which do not deal directly with the purposes of coupling, are presented in the annexes. (author)
Computing and the electrical transport properties of coupled quantum networks
Cain, Casey Andrew
In this dissertation a number of investigations were conducted on ballistic quantum networks in the mesoscopic range. In this regime, the wave nature of electron transport under the influence of transverse magnetic fields leads to interesting applications for digital logic and computing circuits. The work specifically looks at characterizing a few main areas that would be of interest to experimentalists who are working in nanostructure devices, and is organized as a series of papers. The first paper analyzes scaling relations and normal mode charge distributions for such circuits in both isolated and open (terminals attached) form. The second paper compares the flux-qubit nature of quantum networks to the well-established spintronics theory. The results found exactly contradict the conventional school of thought for what is required for quantum computation. The third paper investigates the requirements and limitations of extending the Thevenin theorem in classic electric circuits to ballistic quantum transport. The fourth paper outlines the optimal functionally complete set of quantum circuits that can completely satisfy all sixteen Boolean logic operations for two variables.
Tunable coupled nanomechanical resonators for single-electron transport
International Nuclear Information System (INIS)
Scheible, Dominik V; Erbe, Artur; Blick, Robert H
2002-01-01
Nano-electromechanical systems (NEMS) are ideal for sensor applications and ultra-sensitive force detection, since their mechanical degree of freedom at the nanometre scale can be combined with semiconductor nano-electronics. We present a system of coupled nanomechanical beam resonators in silicon which is mechanically fully Q-tunable ∼700-6000. This kind of resonator can also be employed as a mechanical charge shuttle via an insulated metallic island at the tip of an oscillating cantilever. Application of our NEMS as an electromechanical single-electron transistor (emSET) is introduced and experimental results are discussed. Three animation clips demonstrate the manufacturing process of the NEMS, the Q-tuning experiment and the concept of the emSET
A Coupled Chemical and Mass Transport Model for Concrete Durability
DEFF Research Database (Denmark)
Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica
2012-01-01
-Raphson iteration scheme arising from the non-linearity. The overall model is a transient problem, solved using a single parameter formulation. The sorption hysteresis and chemical equilibrium is included as source or sink terms. The advantages with this formulation is that each node in the discrete system has...... their individual sorption hysteresis isotherm which is of great importance when describing non fully water saturated system e.g. caused by time depended boundary conditions. Chemical equilibrium is also established in each node of the discrete system, where the rate of chemical degradation is determined.......g. charge balance, from the mass transport calculation could cause the above mentioned numerical problems. Two different test cases are studied, the sorption hysteresis in different depth of the sample, caused by time depended boundary condition and the chemical degradation of the solid matrix in a ten year...
Coupling of solute transport and cell expansion in pea stems
Schmalstig, J. G.; Cosgrove, D. J.
1990-01-01
As cells expand and are displaced through the elongation zone of the epicotyl of etiolated pea (Pisum sativum L. var Alaska) seedlings, there is little net dilution of the cell sap, implying a coordination between cell expansion and solute uptake from the phloem. Using [14C] sucrose as a phloem tracer (applied to the hypogeous cotyledons), the pattern of label accumulation along the stem closely matched the growth rate pattern: high accumulation in the growing zone, little accumulation in nongrowing regions. Several results suggest that a major portion of phloem contents enters elongating cells through the symplast. We propose that the coordination between phloem transport and cell expansion is accomplished via regulatory pathways affecting both plasmodesmata conductivity and cell expansion.
The lateral intercellular space as osmotic coupling compartment in isotonic transport
DEFF Research Database (Denmark)
Larsen, E.H.; Willumsen, N.J.; Mobjerg, N.
2009-01-01
coupling of water absorption to ion flow is energized by lateral Na+/K+ pumps. We show that the theory accounts quantitatively for steady- and time dependent states of solute-coupled fluid uptake by toad skin epithelium. Our experimental results exclude definitively three alternative theories of epithelial......Solute-coupled water transport and isotonic transport are basic functions of low- and high-resistance epithelia. These functions are studied with the epithelium bathed on the two sides with physiological saline of similar composition. Hence, at transepithelial equilibrium water enters...... the epithelial cells from both sides, and with the reflection coefficient of tight junction being larger than that of the interspace basement membrane, all of the water leaves the epithelium through the interspace basement membrane. The common design of transporting epithelia leads to the theory that an osmotic...
Jha, B.; Juanes, R.
2015-12-01
Coupled processes of flow, transport, and deformation are important during production of hydrocarbons from oil and gas reservoirs. Effective design and implementation of enhanced recovery techniques such as miscible gas flooding and hydraulic fracturing requires modeling and simulation of these coupled proceses in geologic porous media. We develop a computational framework to model the coupled processes of flow, transport, and deformation in heterogeneous fractured rock. We show that the hydrocarbon recovery efficiency during unstable displacement of a more viscous oil with a less viscous fluid in a fractured medium depends on the mechanical state of the medium, which evolves due to permeability alteration within and around fractures. We show that fully accounting for the coupling between the physical processes results in estimates of the recovery efficiency in agreement with observations in field and lab experiments.
Microscopic and macroscopic bell inequalities
International Nuclear Information System (INIS)
Santos, E.
1984-01-01
The Bell inequalities, being derived for micro-systems, cannot be tested by (macroscopic) experiments without additional assumptions. A macroscopic definition of local realism is proposed which might be the starting point for deriving Bell inequalities testable without auxiliary assumptions. (orig.)
Chung, Eric
2015-12-11
In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM) for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration) to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1) the development of a mass conservative GMsFEM for the coupled flow and transport; (2) the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.
Effects of coupled thermal, hydrological and chemical processes on nuclide transport
International Nuclear Information System (INIS)
Carnahan, C.L.
1987-03-01
Coupled thermal, hydrological and chemical processes can be classified in two categories. One category consists of the ''Onsager'' type of processes driven by gradients of thermodynamic state variables. These processes occur simultaneously with the direct transport processes. In particular, thermal osmosis, chemical osmosis and ultrafiltration may be prominent in semipermeable materials such as clays. The other category consists of processes affected indirectly by magnitudes of thermodynamic state variables. An important example of this category is the effect of temperature on rates of chemical reactions and chemical equilibria. Coupled processes in both categories may affect transport of radionuclides. Although computational models of limited extent have been constructed, there exists no model that accounts for the full set of THC-coupled processes. In the category of Onsager coupled processes, further model development and testing is severely constrained by a deficient data base of phenomenological coefficients. In the second category, the lack of a general description of effects of heterogeneous chemical reactions on permeability of porous media inhibits progress in quantitative modeling of hydrochemically coupled transport processes. Until fundamental data necessary for further model development have been acquired, validation efforts will be limited necessarily to testing of incomplete models of nuclide transport under closely controlled experimental conditions. 34 refs., 2 tabs
Chung, Eric; Efendiev, Yalchin R.; Leung, Wing; Ren, Jun
2015-01-01
In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM) for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration) to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1) the development of a mass conservative GMsFEM for the coupled flow and transport; (2) the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.
Edge and coupled core/edge transport modelling in tokamaks
International Nuclear Information System (INIS)
Lodestro, L.L.; Casper, T.A.; Cohen, R.H.
1999-01-01
Recent advances in the theory and modelling of tokamak edge, scrape-off-layer (SOL) and divertor plasmas are described. The effects of the poloidal E x B drift on inner/outer divertor-plate asymmetries within a 1D analysis are shown to be in good agreement with experimental trends; above a critical v ExB , the model predicts transitions to supersonic flow at the inboard midplane. 2D simulations show the importance of E x B flow in the private-flux region and of ∇ B-drifts. A theory of rough plasma-facing surfaces is given, predicting modifications to the SOL plasma. The parametric dependence of detached-plasma states in slab geometry has been explored; with sufficient pumping, the location of the ionization front can be controlled; otherwise only fronts near the plate or the X-point are stable. Studies with a more accurate Monte-Carlo neutrals model and a detailed non-LTE radiation-transport code indicate various effects are important for quantitative modelling. Detailed simulations of the DIII-D core and edge are presented; impurity and plasma flow are discussed and shown to be well modelled with UEDGE. (author)
Edge and coupled core-edge transport modelling in tokamaks
International Nuclear Information System (INIS)
Lodestro, L.L.; Casper, T.A.; Cohen, R.H.
2001-01-01
Recent advances in the theory and modelling of tokamak edge, scrape-off-layer (SOL) and divertor plasmas are described. The effects of the poloidal ExB drift on inner/outer divertor-plate asymmetries within a 1D analysis are shown to be in good agreement with experimental trends; above a critical v ExB, the model predicts transitions to supersonic SOL flow at the inboard midplane. 2D simulations show the importance of ExB flow in the private-flux region and of ∇ B-drifts. A theory of rough plasma-facing surfaces is given, predicting modifications to the SOL plasma. The parametric dependence of detached-plasma states in slab geometry has been explored; with sufficient pumping, the location of the ionization front can be controlled; otherwise only fronts near the plate or the X-point are stable. Studies with a more accurate Monte-Carlo neutrals model and a detailed non-LTE radiation-transport code indicate various effects are important for quantitative modelling. Detailed simulations of the DIII-D core and edge are presented; impurity and plasma flow are discussed and shown to be well modelled with UEDGE. (author)
CO2-ECBM related coupled physical and mechanical transport processes
Gensterblum, Yves; Satorius, Michael; Busch, Andreas; Krooß, Bernhard
2013-04-01
The interrelation of cleat transport processes and mechanical properties was investigated by permeability tests at different stress levels (60% to 130% of in-situ stress) with sorbing (CH4, CO2) and inert gases (N2, Ar, He) on a sub bituminous A coal from the Surat Basin, Queensland Australia. From the flow tests under controlled triaxial stress conditions the Klinkenberg-corrected "true" permeability coefficients and the Klinkenberg slip factors were derived. The "true"-, absolute or Klinkenberg corrected permeability shows a gas type dependence. Following the approach of Seidle et al. (1992) the cleat volume compressibility (cf) was calculated from observed changes in apparent permeability upon variation of external stress (at equal mean gas pressures). The observed effects also show a clear dependence on gas type. Due to pore or cleat compressibility the cleat aperture decreases with increasing effective stress. Vice versa we observe with increasing mean pressure at lower confining pressure an increase in permeability which we attribute to a cleat aperture widening. The cleat volume compressibility (cf) also shows a dependence on the mean pore pressure. Non-sorbing gases like helium and argon show higher apparent permeabilities than sorbing gases like methane. Permeability coefficients measured with successively increasing mean gas pressures were consistently lower than those determined at decreasing mean gas pressures. This permeability hysteresis is in accordance with results reported by Harpalani and McPherson (1985). The kinetics of matrix transport processes were studied by sorption tests on different particle sizes at various moisture contents and temperatures (cf. Busch et al., 2006). Methane uptake rates were determined from the pressure decline curves recorded for each particle-size fraction, and "diffusion coefficients" were calculated using several unipore and bidisperse diffusion models. While the CH4 sorption capacity of moisture-equilibrated coals
The role of Rashba spin-orbit coupling in valley-dependent transport of Dirac fermions
Energy Technology Data Exchange (ETDEWEB)
Hasanirok, Kobra; Mohammadpour, Hakimeh
2017-01-01
At this work, spin- and valley-dependent electron transport through graphene and silicene layers are studied in the presence of Rashba spin- orbit coupling. We find that the transport properties of the related ferromagnetic/normal/ferromagnetic structure depend on the relevant parameters. A fully valley- and spin- polarized current is obtained. As another result, Rashba spin-orbit interaction plays important role in controlling the transmission characteristics.
Coupled Particle Transport and Pattern Formation in a Nonlinear Leaky-Box Model
Barghouty, A. F.; El-Nemr, K. W.; Baird, J. K.
2009-01-01
Effects of particle-particle coupling on particle characteristics in nonlinear leaky-box type descriptions of the acceleration and transport of energetic particles in space plasmas are examined in the framework of a simple two-particle model based on the Fokker-Planck equation in momentum space. In this model, the two particles are assumed coupled via a common nonlinear source term. In analogy with a prototypical mathematical system of diffusion-driven instability, this work demonstrates that steady-state patterns with strong dependence on the magnetic turbulence but a rather weak one on the coupled particles attributes can emerge in solutions of a nonlinearly coupled leaky-box model. The insight gained from this simple model may be of wider use and significance to nonlinearly coupled leaky-box type descriptions in general.
Quantum equilibria for macroscopic systems
International Nuclear Information System (INIS)
Grib, A; Khrennikov, A; Parfionov, G; Starkov, K
2006-01-01
Nash equilibria are found for some quantum games with particles with spin-1/2 for which two spin projections on different directions in space are measured. Examples of macroscopic games with the same equilibria are given. Mixed strategies for participants of these games are calculated using probability amplitudes according to the rules of quantum mechanics in spite of the macroscopic nature of the game and absence of Planck's constant. A possible role of quantum logical lattices for the existence of macroscopic quantum equilibria is discussed. Some examples for spin-1 cases are also considered
Quantum equilibria for macroscopic systems
Energy Technology Data Exchange (ETDEWEB)
Grib, A [Department of Theoretical Physics and Astronomy, Russian State Pedagogical University, St. Petersburg (Russian Federation); Khrennikov, A [Centre for Mathematical Modelling in Physics and Cognitive Sciences Vaexjoe University (Sweden); Parfionov, G [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation); Starkov, K [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation)
2006-06-30
Nash equilibria are found for some quantum games with particles with spin-1/2 for which two spin projections on different directions in space are measured. Examples of macroscopic games with the same equilibria are given. Mixed strategies for participants of these games are calculated using probability amplitudes according to the rules of quantum mechanics in spite of the macroscopic nature of the game and absence of Planck's constant. A possible role of quantum logical lattices for the existence of macroscopic quantum equilibria is discussed. Some examples for spin-1 cases are also considered.
International Nuclear Information System (INIS)
Zazula, J.M.
1983-01-01
The general purpose code BALTORO was written for coupling the three-dimensional Monte-Carlo /MC/ with the one-dimensional Discrete Ordinates /DO/ radiation transport calculations. The quantity of a radiation-induced /neutrons or gamma-rays/ nuclear effect or the score from a radiation-yielding nuclear effect can be analysed in this way. (author)
Electron-vibron coupling effects on electron transport via a single-molecule magnet
McCaskey, A.; Yamamoto, Y.; Warnock, M.; Burzuri, E.; Van der Zant, H.S.J.; Park, K.
2015-01-01
We investigate how the electron-vibron coupling influences electron transport via an anisotropic magnetic molecule, such as a single-molecule magnet (SMM) Fe4, by using a model Hamiltonian with parameter values obtained from density-functional theory (DFT). The magnetic anisotropy parameters,
Numerical modeling of coupled water flow and heat transport in soil and snow
Thijs J. Kelleners; Jeremy Koonce; Rose Shillito; Jelle Dijkema; Markus Berli; Michael H. Young; John M. Frank; William Massman
2016-01-01
A one-dimensional vertical numerical model for coupled water flow and heat transport in soil and snow was modified to include all three phases of water: vapor, liquid, and ice. The top boundary condition in the model is driven by incoming precipitation and the surface energy balance. The model was applied to three different terrestrial systems: A warm desert bare...
Coupled heat transfer in high temperature transporting system with semitransparent/opaque material
International Nuclear Information System (INIS)
Du Shenghua; Xia Xinjin
2010-01-01
The heat transfer model of the aerodynamic heating coupled with radiative cooling was developed. The thermal protect system includes the higher heat flux region with high temperature semitransparent material, the heat transporting channel and the lower heat flux region with metal. The control volume method was combined with the Monte Carlo method to calculate the coupled heat transfer of the transporting system, and the thermal equilibrium equation for the transporting channel was solved simultaneously. The effect of the aeroheating flux radio, the area ratio of radiative surfaces, the convective heat transfer coefficient of the heat transporting channel on the radiative surface temperature and the fluid temperature in the heat transporting channel were analyzed. The effect of radiation and conduction in the semitransparent material was discussed. The result shows that to increase the convective heat transfer coefficient in heat flux channel can enhance the heat transporting ability of the system, but the main parameter to effect on the temperature of the heat transporting system is the area ratio of radiative surfaces. (authors)
DEFF Research Database (Denmark)
Larsen, Erik Hviid; Sørensen, Jakob Balslev; Sørensen, Jens Nørkær
2000-01-01
those of tight junction and interspace basement membrane by convection-diffusion. With solute permeability of paracellular pathway large relative to paracellular water flow, the paracellular flux ratio of the solute (influx/outflux) is small (2-4) in agreement with experiments. The virtual solute......A mathematical model of an absorbing leaky epithelium is developed for analysis of solute coupled water transport. The non-charged driving solute diffuses into cells and is pumped from cells into the lateral intercellular space (lis). All membranes contain water channels with the solute passing...... increases with hydraulic conductance of the pathway carrying water from mucosal solution into lis. Uphill water transport is accomplished, but with high hydraulic conductance of cell membranes strength of transport is obscured by water flow through cells. Anomalous solvent drag occurs when back flux...
Analysis of the Sodium Recirculation Theory of Solute Coupled Water Transport in Small Intestine
DEFF Research Database (Denmark)
Larsen, E. H.; Sørensen, Jens Nørkær; Sørensen, J. B.
2002-01-01
Our previous mathematical model of solute-coupled water transport through the intestinal epithelium is extended for dealing with electrolytes rather than electroneutral solutes. A 3Na+-2K+ pump in the lateral membranes provides the energy-requiring step for driving transjunctional and translateral......, computations predict that the concentration differences between lis and bathing solutions are small for all three ions. Nevertheless, the diffusion fluxes of the ions out of lis significantly exceed their mass transports. It is concluded that isotonic transport requires recirculation of all three ions....... The computed sodium recirculation flux that is required for isotonic transport corresponds to that estimated in experiments on toad small intestine. This result is shown to be robust and independent of whether the apical entrance mechanism for the sodium ion is a channel, a SGLT1 transporter driving inward...
Coupling between a geochemical model and a transport model of dissolved elements
International Nuclear Information System (INIS)
Jacquier, P.
1988-10-01
In order to assess the safety analysis of an underground repository, the transport of radioelements in groundwater and their interactions with the geological medium are modelled. The objective of this work is the setting up and experimental validation of the coupling of a geochemical model with a transport model of dissolved elements. A laboratory experiment was developed at the CEA center of Cadarache. Flow-through experiments were carried out on columns filled with crushed limestone, where several inflow conditions were taken into account as the temperature, the presence of a pollutant (strontium chloride) at different concentrations. The results consist of the evolution of the chemical composition of the water at the outlet of the column. The final aim of the study is to explain these results with a coupled model where geochemical and transport phenomena are modelled in a two-step procedure. This code, called STELE, was built by introducing a geochemical code, CHIMERE, into an existing transport code, METIS. At this stage, the code CHIMERE can take into account: any chemical reaction in aqueous phase (complexation, acid-base reaction, redox equilibrium), dissolution-precipitation of minerals and solid phases, dissolution-degassing of gas. The paper intends to describe the whole process leading to the coupling which can be forecasted over the next years between geochemical and transport models
Transport-diffusion coupling for Candu reactor core follow-Up
International Nuclear Information System (INIS)
Varin, E.; Marleau, G.; Chambon, R.
2003-01-01
We couple the finite reactor diffusion code DONJON and the lattice code DRAGON, called for simplicity DD, to perform reactor follow-up calculations using a history-based approach. In order to do this, a new DD module is developed. This module manages the transfer of information between standard DONJON and DRAGON data structures. Moreover, it stores in a history data structure the global and local parameters required for cell calculations as well as the isotopic composition of the various materials present in each cell of the reactor. We then implement in DD a parallel algorithm to perform history-based Candu reactor calculations. Here, we assign to each processor a specific number of fuel channels to be analyzed. The DRAGON cell calculations for each of the fuel bundles associated with the specified channels are performed on the same processor in order to minimize communication time. Only the macroscopic cross section libraries are exchanged between the processor. Since the amount of data exchanged is relatively small, we expect to obtain an ideal speed-up. The coupling is tested for the analysis of a simplified Candu reactor model with 4 x 4 channels each containing 4 bundles. A 100 full-power days core tracking sequence with 16 refueling steps is studied. Results are coherent with those obtained using more approximate approaches. Parallel speed-up is near optimal indicating that the use of this approach for more realistic reactor calculations should be pursued. (authors)
Energy Technology Data Exchange (ETDEWEB)
Paszkuta, M
2005-06-15
Low permeability materials containing clay play an important role in practical life and natural environment. Indeed, the ability of clay soils to act as semi permeable membranes, that inhibit the passage of electrolytes, is of great interest. The major objective of this thesis is to evaluate the transport properties of natural clays and in particular coupled transports when a pressure gradient, an electrical field, a concentration gradient and a temperature gradient interact. The material is a compact argillite extracted in East France from a Callovo-Oxfordian formation which was supplied to us by ANDRA. NaCl was used as the main solute. Two series of experiments were performed to measure permeability, diffusion, conductivity, the electro-osmotic coefficient and the Soret coefficient. (author)
Superconductivity and macroscopic quantum phenomena
International Nuclear Information System (INIS)
Rogovin, D.; Scully, M.
1976-01-01
It is often asserted that superconducting systems are manifestations of quantum mechanics on a macroscopic scale. In this review article it is demonstrated that this quantum assertion is true within the framework of the microscopic theory of superconductivity. (Auth.)
Laleian, A.; Valocchi, A. J.; Werth, C. J.
2017-12-01
Multiscale models of reactive transport in porous media are capable of capturing complex pore-scale processes while leveraging the efficiency of continuum-scale models. In particular, porosity changes caused by biofilm development yield complex feedbacks between transport and reaction that are difficult to quantify at the continuum scale. Pore-scale models, needed to accurately resolve these dynamics, are often impractical for applications due to their computational cost. To address this challenge, we are developing a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled with a mortar method providing continuity at interfaces. We explore two decompositions of coupled pore-scale and continuum-scale regions to study biofilm growth in a transverse mixing zone. In the first decomposition, all reaction is confined to a pore-scale region extending the transverse mixing zone length. Only solute transport occurs in the surrounding continuum-scale regions. Relative to a fully pore-scale result, we find the multiscale model with this decomposition has a reduced run time and consistent result in terms of biofilm growth and solute utilization. In the second decomposition, reaction occurs in both an up-gradient pore-scale region and a down-gradient continuum-scale region. To quantify clogging, the continuum-scale model implements empirical relations between porosity and continuum-scale parameters, such as permeability and the transverse dispersion coefficient. Solutes are sufficiently mixed at the end of the pore-scale region, such that the initial reaction rate is accurately computed using averaged concentrations in the continuum-scale region. Relative to a fully pore-scale result, we find accuracy of biomass growth in the multiscale model with this decomposition improves as the interface between pore-scale and continuum-scale regions moves downgradient where transverse mixing is more fully developed. Also, this
Macroscopic constraints on string unification
International Nuclear Information System (INIS)
Taylor, T.R.
1989-03-01
The comparison of sting theory with experiment requires a huge extrapolation from the microscopic distances, of order of the Planck length, up to the macroscopic laboratory distances. The quantum effects give rise to large corrections to the macroscopic predictions of sting unification. I discus the model-independent constraints on the gravitational sector of string theory due to the inevitable existence of universal Fradkin-Tseytlin dilatons. 9 refs
Interpretation of macroscopic quantum phenomena
International Nuclear Information System (INIS)
Baumann, K.
1986-01-01
It is argued that a quantum theory without observer is required for the interpretation of macroscopic quantum tunnelling. Such a theory is obtained by augmenting QED by the actual electric field in the rest system of the universe. An equation of the motion of this field is formulated form which the correct macroscopic behavior of the universe and the validity of the Born interpretation is derived. Care is taken to use mathematically sound concepts only. (Author)
Macroscopic nonclassical-state preparation via postselection
Montenegro, Víctor; Coto, Raúl; Eremeev, Vitalie; Orszag, Miguel
2017-11-01
Macroscopic quantum superposition states are fundamental to test the classical-quantum boundary and present suitable candidates for quantum technologies. Although the preparation of such states has already been realized, the existing setups commonly consider external driving and resonant interactions, predominantly by considering Jaynes-Cummings-like and beam-splitter-like interactions, as well as the nonlinear radiation pressure interaction in cavity optomechanics. In contrast to previous works on the matter, we propose a feasible probabilistic scheme to generate a macroscopic mechanical qubit, as well as phononic Schrödinger's cat states with no need of any energy exchange with the macroscopic mechanical oscillator. Essentially, we investigate an open dispersive spin-mechanical system in the absence of any external driving under nonideal conditions, such as the detrimental effects due to the oscillator and spin energy losses in a thermal bath at nonzero temperature. In our work, we show that the procedure to generate the mechanical qubit state is solely based on spin postselection in the weak to moderate coupling regime. Finally, we demonstrate that the mechanical superposition is related to the amplification of the mean values of the mechanical quadratures as they maximize the quantum coherence.
Porous media fluid flow, heat, and mass transport model with rock stress coupling
International Nuclear Information System (INIS)
Runchal, A.K.
1980-01-01
This paper describes the physical and mathematical basis of a general purpose porous media flow model, GWTHERM. The mathematical basis of the model is obtained from the coupled set of the classical governing equations for the mass, momentum and energy balance. These equations are embodied in a computational model which is then coupled externally to a linearly elastic rock-stress model. This coupling is rather exploratory and based upon empirical correlations. The coupled model is able to take account of time-dependent, inhomogeneous and anisotropic features of the hydrogeologic, thermal and transport phenomena. A number of applications of the model have been made. Illustrations from the application of the model to nuclear waste repositories are included
DEFF Research Database (Denmark)
Prabhala, Bala K; Aduri, Nanda G; Sharma, Neha
2018-01-01
. However, to date no report exists on any specific transport protein that facilitates Cam uptake. The proton-coupled oligopeptide transporter (POT) YdgR from Escherichia coli is a prototypical member of the POT family, functioning in proton-coupled uptake of di- and tripeptides. By following bacterial...
Electronic transport through a quantum dot chain with strong dot-lead coupling
International Nuclear Information System (INIS)
Liu, Yu; Zheng, Yisong; Gong, Weijiang; Gao, Wenzhu; Lue, Tianquan
2007-01-01
By means of the non-equilibrium Green function technique, the electronic transport through an N-quantum-dot chain is theoretically studied. By calculating the linear conductance spectrum and the local density of states in quantum dots, we find the resonant peaks in the spectra coincides with the eigen-energies of the N-quantum-dot chain when the dot-lead coupling is relatively weak. With the increase of the dot-lead coupling, such a correspondence becomes inaccurate. When the dot-lead coupling exceeds twice the interdot coupling, such a mapping collapses completely. The linear conductance turn to reflect the eigen-energies of the (N-2)- or (N-1)-quantum dot chain instead. The two peripheral quantum dots do not manifest themselves in the linear conductance spectrum. More interestingly, with the further increase of the dot-lead coupling, the system behaves just like an (N-2)- or (N-1)-quantum dot chain in weak dot-lead coupling limit, since the resonant peaks becomes narrower with the increase of dot-lead coupling
Influences of a Side-Coupled Triple Quantum Dot on Kondo Transport Through a Quantum Dot
International Nuclear Information System (INIS)
Jiang Zhaotan; Yang Yannan; Qin Zhijie
2010-01-01
Kondo transport properties through a Kondo-type quantum dot (QD) with a side-coupled triple-QD structure are systematically investigated by using the non-equilibrium Green's function method. We firstly derive the formulae of the current, the linear conductance, the transmission coefficient, and the local density of states. Then we carry out the analytical and numerical studies and some universal conductance properties are obtained. It is shown that the number of the conductance valleys is intrinsically determined by the side-coupled QDs and at most equal to the number of the QDs included in the side-coupled structure in the asymmetric limit. In the process of forming the conductance valleys, the side-coupled QD system plays the dominant role while the couplings between the Kondo-type QD and the side-coupled structure play the subsidiary and indispensable roles. To testify the validity of the universal conductance properties, another different kinds of side-coupled triple-QD structures are considered. It should be emphasized that these universal properties are applicable in understanding this kind of systems with arbitrary many-QD side structures.
Coupled processes of fluid flow, solute transport, and geochemical reactions in reactive barriers
Energy Technology Data Exchange (ETDEWEB)
Kim, Jeongkon; Schwartz, Franklin W.; Xu, Tianfu; Choi, Heechul, and Kim, In S.
2004-01-02
A complex pattern of coupling between fluid flow and mass transport develops when heterogeneous reactions occur. For instance, dissolution and precipitation reactions can change a porous medium's physical properties, such as pore geometry and thus permeability. These changes influence fluid flow, which in turn impacts the composition of dissolved constituents and the solid phases, and the rate and direction of advective transport. Two-dimensional modeling studies using TOUGHREACT were conducted to investigate the coupling between flow and transport developed as a consequence of differences in density, dissolution precipitation, and medium heterogeneity. The model includes equilibrium reactions for aqueous species, kinetic reactions between the solid phases and aqueous constituents, and full coupling of porosity and permeability changes resulting from precipitation and dissolution reactions in porous media. In addition, a new permeability relationship is implemented in TOUGHREACT to examine the effects of geochemical reactions and density difference on plume migration in porous media. Generally, the evolutions in the concentrations of the aqueous phase are intimately related to the reaction-front dynamics. Plugging of the medium contributed to significant transients in patterns of flow and mass transport.
International Nuclear Information System (INIS)
Jewer, S.; Buchan, A.G.; Pain, C.C.; Cacuci, D.G.
2014-01-01
Highlights: • A new method of coupled radiation transport, heat and momentum exchanges on fluids, and heat transfer simulations. • Simulation of the thermal hydraulics and radiative properties within whole PWR assemblies. • An immersed body method for modelling complex solid domains on practical computational meshes. - Abstract: A recently developed immersed body method is adapted and used to model a typical pressurised water reactor (PWR) fuel assembly. The approach is implemented with the numerical framework of the finite element, transient criticality code, FETCH which is composed of the neutron transport code, EVENT, and the CFD code, FLUIDITY. Within this framework the neutron transport equation, Navier–Stokes equations and a fluid energy conservation equation are solved in a coupled manner on a coincident structured or unstructured mesh. The immersed body method has been used to model the solid fuel pins. The key feature of this method is that the fluid/neutronic domain and the solid domain are represented by overlapping and non-conforming meshes. The main difficulty of this approach, for which a solution is proposed in this work, is the conservative mapping of the energy and momentum exchange between the fluid/neutronic mesh and the solid fuel pin mesh. Three numerical examples are presented which include a validation of the fuel pin submodel against an analytical solution; an uncoupled (no neutron transport solution) PWR fuel assembly model with a specified power distribution which was validated against the COBRA-EN subchannel analysis code; and finally a coupled model of a PWR fuel assembly with reflective neutron boundary conditions. Coupling between the fluid and neutron transport solutions is through the nuclear cross sections dependence on Doppler fuel temperature, coolant density and temperature, which was taken into account by using pre-calculated cross-section lookup tables generated using WIMS9a. The method was found to show good agreement
Transport properties of a Kondo dot with a larger side-coupled noninteracting quantum dot
International Nuclear Information System (INIS)
Liu, Y S; Fan, X H; Xia, Y J; Yang, X F
2008-01-01
We investigate theoretically linear and nonlinear quantum transport through a smaller quantum dot in a Kondo regime connected to two leads in the presence of a larger side-coupled noninteracting quantum dot, without tunneling coupling to the leads. To do this we employ the slave boson mean field theory with the help of the Keldysh Green's function at zero temperature. The numerical results show that the Kondo conductance peak may develop multiple resonance peaks and multiple zero points in the conductance spectrum owing to constructive and destructive quantum interference effects when the energy levels of the large side-coupled noninteracting dot are located in the vicinity of the Fermi level in the leads. As the coupling strength between two quantum dots increases, the tunneling current through the quantum device as a function of gate voltage applied across the two leads is suppressed. The spin-dependent transport properties of two parallel coupled quantum dots connected to two ferromagnetic leads are also investigated. The numerical results show that, for the parallel configuration, the spin current or linear spin differential conductance are enhanced when the polarization strength in the two leads is increased
Electron-vibron coupling effects on electron transport via a single-molecule magnet
McCaskey, Alexander; Yamamoto, Yoh; Warnock, Michael; Burzurí, Enrique; van der Zant, Herre S. J.; Park, Kyungwha
2015-03-01
We investigate how the electron-vibron coupling influences electron transport via an anisotropic magnetic molecule, such as a single-molecule magnet (SMM) Fe4, by using a model Hamiltonian with parameter values obtained from density-functional theory (DFT). The magnetic anisotropy parameters, vibrational energies, and electron-vibron coupling strengths of the Fe4 are computed using DFT. A giant spin model is applied to the Fe4 with only two charge states, specifically a neutral state with a total spin S =5 and a singly charged state with S =9 /2 , which is consistent with our DFT result and experiments on Fe4 single-molecule transistors. In sequential electron tunneling, we find that the magnetic anisotropy gives rise to new features in the conductance peaks arising from vibrational excitations. In particular, the peak height shows a strong, unusual dependence on the direction as well as magnitude of applied B field. The magnetic anisotropy also introduces vibrational satellite peaks whose position and height are modified with the direction and magnitude of applied B field. Furthermore, when multiple vibrational modes with considerable electron-vibron coupling have energies close to one another, a low-bias current is suppressed, independently of gate voltage and applied B field, although that is not the case for a single mode with a similar electron-vibron coupling. In the former case, the conductance peaks reveal a stronger B -field dependence than in the latter case. The new features appear because the magnetic anisotropy barrier is of the same order of magnitude as the energies of vibrational modes with significant electron-vibron coupling. Our findings clearly show the interesting interplay between magnetic anisotropy and electron-vibron coupling in electron transport via the Fe4. Similar behavior can be observed in transport via other anisotropic magnetic molecules.
Structural basis for polyspecificity in the POT family of proton-coupled oligopeptide transporters
DEFF Research Database (Denmark)
Lyons, Joseph A.; Parker, Joanne L.; Solcan, Nicolae
2014-01-01
An enigma in the field of peptide transport is the structural basis for ligand promiscuity, as exemplified by PepT1, the mammalian plasma membrane peptide transporter. Here, we present crystal structures of di‐ and tripeptide‐bound complexes of a bacterial homologue of PepT1, which reveal at least...... two mechanisms for peptide recognition that operate within a single, centrally located binding site. The dipeptide was orientated laterally in the binding site, whereas the tripeptide revealed an alternative vertical binding mode. The co‐crystal structures combined with functional studies reveal...... that biochemically distinct peptide‐binding sites likely operate within the POT/PTR family of proton‐coupled symporters and suggest that transport promiscuity has arisen in part through the ability of the binding site to accommodate peptides in multiple orientations for transport...
Experimental validation of GADRAS's coupled neutron-photon inverse radiation transport solver
International Nuclear Information System (INIS)
Mattingly, John K.; Mitchell, Dean James; Harding, Lee T.
2010-01-01
Sandia National Laboratories has developed an inverse radiation transport solver that applies nonlinear regression to coupled neutron-photon deterministic transport models. The inverse solver uses nonlinear regression to fit a radiation transport model to gamma spectrometry and neutron multiplicity counting measurements. The subject of this paper is the experimental validation of that solver. This paper describes a series of experiments conducted with a 4.5 kg sphere of α-phase, weapons-grade plutonium. The source was measured bare and reflected by high-density polyethylene (HDPE) spherical shells with total thicknesses between 1.27 and 15.24 cm. Neutron and photon emissions from the source were measured using three instruments: a gross neutron counter, a portable neutron multiplicity counter, and a high-resolution gamma spectrometer. These measurements were used as input to the inverse radiation transport solver to evaluate the solver's ability to correctly infer the configuration of the source from its measured radiation signatures.
Numerical modelling of coupled fluid, heat, and solute transport in deformable fractured rock
International Nuclear Information System (INIS)
Chan, T.; Reid, J.A.K.
1987-01-01
This paper reports on a three-dimensional (3D) finite-element code, MOTIF (model of transport in fractured/porous media), developed to model the coupled processes of groundwater flow, heat transport, brine transport, and one-species radionuclide transport in geological media. Three types of elements are available: a 3D continuum element, a planar fracture element that can be oriented in any arbitrary direction in 3D space or pipe flow in 3D space, and a line element for simulating fracture flow in 2D space or pipe flow in 3D space. As a quality-assurance measure, the MOTIF code was verified by comparison of its results with analytical solutions and other published numerical solutions
Coupled ion binding and structural transitions along the transport cycle of glutamate transporters
Verdon, Grégory; Oh, SeCheol; Serio, Ryan N; Boudker, Olga
2014-01-01
eLife digest Molecules of glutamate can carry messages between cells in the brain, and these signals are essential for thought and memory. Glutamate molecules can also act as signals to build new connections between brain cells and to prune away unnecessary ones. However, too much glutamate outside of the cells kills the brain tissue and can lead to devastating brain diseases. In a healthy brain, special pumps called glutamate transporters move these molecules back into the brain cells, where...
Li, Yuanchang
2016-01-01
It is generally believed that the inter-edge coupling destroys the quantum spin Hall (QSH) effect along with the gap opening at the Dirac points. Using first-principles calculations, we find that the quantized edge transport persists in the presence of inter-edge coupling in Ta intercalated epitaxial graphene on SiC(0001), being a QSH insulator with the non-trivial gap of 81 meV. In this case, the band is characterized by two perfect Dirac cones with different Fermi velocities, yet only one m...
Zegers Risopatron, G., Sr.; Navarro, L.; Montserrat, S., Sr.; McPhee, J. P.; Niño, Y.
2017-12-01
The geochemistry of water and sediments, coupled with hydrodynamic transport in mountainous channels, is of particular interest in central Chilean Andes due to natural occurrence of acid waters. In this paper, we present a coupled transport and geochemical model to estimate and understand transport processes and fate of minerals at the Yerba Loca Basin, located near Santiago, Chile. In the upper zone, water presentes low pH ( 3) and high concentrations of iron, aluminum, copper, manganese and zinc. Acidity and minerals are the consequence of water-rock interactions in hydrothermal alteration zones, rich in sulphides and sulphates, covered by seasonal snow and glaciers. Downstream, as a consequence of neutral to alkaline lateral water contributions (pH >7) along the river, pH increases and concentration of solutes decreases. The mineral transport model has three components: (i) a hydrodynamic model, where we use HEC-RAS to solve 1D Saint-Venant equations, (ii) a sediment transport model to estimate erosion and sedimentation rates, which quantify minerals transference between water and riverbed and (iii) a solute transport model, based on the 1D OTIS model which takes into account the temporal delay in solutes transport that typically is observed in natural channels (transient storage). Hydrochemistry is solved using PHREEQC, a software for speciation and batch reaction. Our results show that correlation between mineral precipitation and dissolution according to pH values changes along the river. Based on pH measurements (and according to literature) we inferred that main minerals in the water system are brochantite, ferrihydrite, hydrobasaluminite and schwertmannite. Results show that our model can predict the transport and fate of minerals and metals in the Yerba Loca Basin. Mineral dissolution and precipitation process occur for limited ranges of pH values. When pH values are increased, iron minerals (schwertmannite) are the first to precipitate ( 2.5
International Nuclear Information System (INIS)
Bildstein, O.
2010-06-01
The author gives an overview of his research and teaching activities. His researches first dealt with the development of a simulation of the chemistry/transport coupling and of the retroactive effects on transport parameters, then with the chemistry/transport modelling and its coupling with mechanics, and finally with the multi-scale investigation of porous materials. Perspectives are discussed and publications are indicated
Energy Conservation Tests of a Coupled Kinetic-kinetic Plasma-neutral Transport Code
Energy Technology Data Exchange (ETDEWEB)
Stotler, D. P.; Chang, C. S.; Ku, S. H.; Lang, J.; Park, G.
2012-08-29
A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.
A turbulent transport network model in MULTIFLUX coupled with TOUGH2
International Nuclear Information System (INIS)
Danko, G.; Bahrami, D.; Birkholzer, J.T.
2011-01-01
A new numerical method is described for the fully iterated, conjugate solution of two discrete submodels, involving (a) a transport network model for heat, moisture, and airflows in a high-permeability, air-filled cavity; and (b) a variably saturated fractured porous medium. The transport network submodel is an integrated-parameter, computational fluid dynamics solver, describing the thermal-hydrologic transport processes in the flow channel system of the cavity with laminar or turbulent flow and convective heat and mass transport, using MULTIFLUX. The porous medium submodel, using TOUGH2, is a solver for the heat and mass transport in the fractured rock mass. The new model solution extends the application fields of TOUGH2 by integrating it with turbulent flow and transport in a discrete flow network system. We present demonstrational results for a nuclear waste repository application at Yucca Mountain with the most realistic model assumptions and input parameters including the geometrical layout of the nuclear spent fuel and waste with variable heat load for the individual containers. The MULTIFLUX and TOUGH2 model elements are fully iterated, applying a programmed reprocessing of the Numerical Transport Code Functionalization model-element in an automated Outside Balance Iteration loop. The natural, convective airflow field and the heat and mass transport in a representative emplacement drift during postclosure are explicitly solved in the new model. The results demonstrate that the direction and magnitude of the air circulation patterns and all transport modes are strongly affected by the heat and moisture transport processes in the surrounding rock, justifying the need for a coupled, fully iterated model solution such as the one presented in the paper.
ZZ ENDLIB, Coupled Electron and Photon Transport Library in ENDL Format
International Nuclear Information System (INIS)
2002-01-01
Description of program or function: The LLNL Evaluated Nuclear Data Library has existed since 1958 in a succession of forms and formats. The present form is as a machine-independent character file format and contains data for the evaluated atomic relaxation data library (EADL), the evaluated photon interaction data library (EPDL), and the evaluated electron interaction data library (EEDL). The purpose of these libraries is to furnish data for coupled electron-photon transport calculations. In order to perform coupled photon-electron transport calculations, all three libraries are required. The UCRL-ID-117796 report included in the documentation for this package provides information on the contents and formats for all three libraries, which are included in this package. All of these libraries span atomic numbers, Z, from 1 to 100. Additionally the electron and photon interaction libraries cover the incident particle energy range from 10 eV to 100 GeV
Long-range correlations in a simple stochastic model of coupled transport
International Nuclear Information System (INIS)
Larralde, Hernan; Sanders, David P
2009-01-01
We study coupled transport in the nonequilibrium stationary state of a model consisting of independent random walkers, moving along a one-dimensional channel, which carry a conserved energy-like quantity, with density and temperature gradients imposed by reservoirs at the ends of the channel. In our model, walkers interact with other walkers at the same site by sharing energy at each time step, but the amount of energy carried does not affect the motion of the walkers. We find that already in this simple model long-range correlations arise in the nonequilibrium stationary state which are similar to those observed in more realistic models of coupled transport. We derive an analytical expression for the source of these correlations, which we use to obtain semi-analytical results for the correlations themselves assuming a local-equilibrium hypothesis. These are in very good agreement with results from direct numerical simulations.
Zambon, Joseph B.; He, Ruoying; Warner, John C.
2014-01-01
The coupled ocean–atmosphere–wave–sediment transport (COAWST) model is used to hindcast Hurricane Ivan (2004), an extremely intense tropical cyclone (TC) translating through the Gulf of Mexico. Sensitivity experiments with increasing complexity in ocean–atmosphere–wave coupled exchange processes are performed to assess the impacts of coupling on the predictions of the atmosphere, ocean, and wave environments during the occurrence of a TC. Modest improvement in track but significant improvement in intensity are found when using the fully atmosphere–ocean-wave coupled configuration versus uncoupled (e.g., standalone atmosphere, ocean, or wave) model simulations. Surface wave fields generated in the fully coupled configuration also demonstrates good agreement with in situ buoy measurements. Coupled and uncoupled model-simulated sea surface temperature (SST) fields are compared with both in situ and remote observations. Detailed heat budget analysis reveals that the mixed layer temperature cooling in the deep ocean (on the shelf) is caused primarily by advection (equally by advection and diffusion).
Lolkema, Juke S.; Robillard, George T.
The bacterial phosphotransferase systems are believed to catalyze the concomitant transport and phosphorylation of hexoses and hexitols. The transport is from the outside to the inside of the cell. An absolute coupling between transport and phosphorylation has however been questioned in the
Fluid transportation mechanisms by a coupled system of elastic membranes and magnetic fluids
International Nuclear Information System (INIS)
Ido, Y.; Tanaka, K.; Sugiura, Y.
2002-01-01
The basic properties of the fluid transportation mechanism that is produced by the coupled waves propagating along a thin elastic membrane covering a magnetic fluid layer in a shallow and long rectangular vessel are investigated. It is shown that the progressive magnetic field induced by the rectangular pulses generates sinusoidal vibration of the displacement of elastic membrane and makes the system work more efficiently than the magnetic field induced by the pulse-width-modulation method
Steady-state coupled transport of HNO3 through a hollow-fiber supported liquid membrane
International Nuclear Information System (INIS)
Noble, R.D.; Danesi, P.R.
1987-01-01
Nitric acid removal from an aqueous stream was accomplished by continuously passing the fluid through a hollow fiber supported liquid membrane (SLM). The nitric acid was extracted through the membrane wall by coupled transport. The system was modeled as a series of (SLM)-continuous stirred tank reactor (CSTR) pairs. An approximate technique was used to predict the steady state nitric acid concentration in the system. The comparison with experimental data was very good
International Nuclear Information System (INIS)
Khashan, Saud A; Furlani, Edward P
2013-01-01
A study is presented of coupled particle–fluid transport and field-directed particle capture in microfluidic systems with passive magnetic functionality. These systems consist of a microfluidic flow cell on a substrate that contains embedded magnetic elements. Two systems are considered that utilize soft- and hard-magnetic elements, respectively. In the former, an external field is applied to magnetize the elements, and in the latter, they are permanently magnetized. The field produced by the magnetized elements permeates into the flow cell giving rise to an attractive force on magnetic particles that flow through it. The systems are studied using a novel numerical/closed-form modelling approach that combines numerical transport analysis with closed-form field analysis. Particle–fluid transport is computed using computational fluid dynamics (CFD), while the magnetic force that governs particle capture is obtained in closed form. The CFD analysis takes into account dominant particle forces and two-way momentum transfer between the particles and the fluid. The two-way particle–fluid coupling capability is an important feature of the model that distinguishes it from more commonly used and simplified one-way coupling analysis. The model is used to quantify the impact of two-way particle–fluid coupling on both the capture efficiency and the flow pattern in the systems considered. Many effects such as particle-induced flow-enhanced capture efficiency and flow circulation are studied that cannot be predicted using one-way coupling analysis. In addition, dilute particle dispersions are shown to exhibit significant localized particle–fluid coupling near the capture regions, which contradicts the commonly held view that two-way coupling can be ignored when analysing high-gradient magnetic separation involving such particle systems. Overall, the model demonstrates that two-way coupling needs to be taken into account for rigorous predictions of capture efficiency
International Nuclear Information System (INIS)
Tsang, C.F.
1984-10-01
The present paper gives a general overview of mass transport in low permeability rocks under the coupled thermomechanical and hydrochemical effects associated with a nuclear waste repository. A classification of coupled processes is given. Then an ess is presented. example of a coupled process is presented. Discussions of coupled processes based on a recent LBL Panel meeting are summarized. 5 references, 3 figures, 4 tables
Vande Geest, Jonathan P; Simon, B R; Rigby, Paul H; Newberg, Tyler P
2011-04-01
Finite element models (FEMs) including characteristic large deformations in highly nonlinear materials (hyperelasticity and coupled diffusive/convective transport of neutral mobile species) will allow quantitative study of in vivo tissues. Such FEMs will provide basic understanding of normal and pathological tissue responses and lead to optimization of local drug delivery strategies. We present a coupled porohyperelastic mass transport (PHEXPT) finite element approach developed using a commercially available ABAQUS finite element software. The PHEXPT transient simulations are based on sequential solution of the porohyperelastic (PHE) and mass transport (XPT) problems where an Eulerian PHE FEM is coupled to a Lagrangian XPT FEM using a custom-written FORTRAN program. The PHEXPT theoretical background is derived in the context of porous media transport theory and extended to ABAQUS finite element formulations. The essential assumptions needed in order to use ABAQUS are clearly identified in the derivation. Representative benchmark finite element simulations are provided along with analytical solutions (when appropriate). These simulations demonstrate the differences in transient and steady state responses including finite deformations, total stress, fluid pressure, relative fluid, and mobile species flux. A detailed description of important model considerations (e.g., material property functions and jump discontinuities at material interfaces) is also presented in the context of finite deformations. The ABAQUS-based PHEXPT approach enables the use of the available ABAQUS capabilities (interactive FEM mesh generation, finite element libraries, nonlinear material laws, pre- and postprocessing, etc.). PHEXPT FEMs can be used to simulate the transport of a relatively large neutral species (negligible osmotic fluid flux) in highly deformable hydrated soft tissues and tissue-engineered materials.
Coupled full core neutron transport/CFD simulations of pressurized water reactors
International Nuclear Information System (INIS)
Kochunas, B.; Stimpson, S.; Collins, B.; Downar, T.; Brewster, R.; Baglietto, E.; Yan, J.
2012-01-01
Recently as part of the CASL project, a capability to perform 3D whole-core coupled neutron transport and computational fluid dynamics (CFD) calculations was demonstrated. This work uses the 2D/1D transport code DeCART and the commercial CFD code STAR-CCM+. It builds on previous CASL work demonstrating coupling for smaller spatial domains. The coupling methodology is described along with the problem simulated and results are presented for fresh hot full power conditions. An additional comparison is made to an equivalent model that uses lower order T/H feedback to assess the importance and cost of high fidelity feedback to the neutronics problem. A simulation of a quarter core Combustion Engineering (CE) PWR core was performed with the coupled codes using a Fixed Point Gauss-Seidel iteration technique. The total approximate calculation requirements are nearly 10,000 CPU hours and 1 TB of memory. The problem took 6 coupled iterations to converge. The CFD coupled model and low order T/H feedback model compared well for global solution parameters, with a difference in the critical boron concentration and average outlet temperature of 14 ppm B and 0.94 deg. C, respectively. Differences in the power distribution were more significant with maximum relative differences in the core-wide pin peaking factor (Fq) of 5.37% and average relative differences in flat flux region power of 11.54%. Future work will focus on analyzing problems more relevant to CASL using models with less approximations. (authors)
A time-dependent neutron transport model and its coupling to thermal-hydraulics
International Nuclear Information System (INIS)
Pautz, A.
2001-01-01
A new neutron transport code for time-dependent analyses of nuclear systems has been developed. The code system is based on the well-known Discrete Ordinates code DORT, which solves the steady-state neutron/photon transport equation in two dimensions for an arbitrary number of energy groups and the most common regular geometries. For the implementation of time-dependence a fully implicit first-order scheme was employed to minimize errors due to temporal discretization. This requires various modifications to the transport equation as well as the extensive use of elaborated acceleration mechanisms. The convergence criteria for fluxes, fission rates etc. had to be strongly tightened to ensure the reliability of results. To perform coupled analyses, an interface to the GRS system code ATHLET has been developed. The nodal power densities from the neutron transport code are passed to ATHLET to calculate thermal-hydraulic system parameters, e.g. fuel and coolant temperatures. These are in turn used to generate appropriate nuclear cross sections by interpolation of pre-calculated data sets for each time step. Finally, to demonstrate the transient capabilities of the coupled code system, the research reactor FRM-II has been analysed. Several design basis accidents were modelled, like the loss of off site power, loss of secondary heat sink and unintended control rod withdrawal. (author)
Separation of some metal ions using coupled transport supported liquid membranes
International Nuclear Information System (INIS)
Chaudhary, M.A.
1993-01-01
Liquid membrane extraction processes has become very popular due to their superiority in many ways over other separation techniques. In coupled transport membranes the metal ions can be transported across the membrane against their concentration gradient under the influence of chemical potential difference. Liquid membranes consisting of a carrier-cum-diluent, supported in microporous polymeric hydrophobic films have been studied for transport of metal ions like U(VI), Cr(VI), Be(II), V(V), Ti(IV), Zn(II), Cd(II), Hf(IV), W(VI), and Co(II). The present paper presents basic data with respect to flux and permeabilities of these metal ions across membranes based on experimental results and theoretical equations, using different carriers and diluents and provides a brief reference to possibility of such membranes for large scale applications. (author)
Transport equations, Level Set and Eulerian mechanics. Application to fluid-structure coupling
International Nuclear Information System (INIS)
Maitre, E.
2008-11-01
My works were devoted to numerical analysis of non-linear elliptic-parabolic equations, to neutron transport equation and to the simulation of fabrics draping. More recently I developed an Eulerian method based on a level set formulation of the immersed boundary method to deal with fluid-structure coupling problems arising in bio-mechanics. Some of the more efficient algorithms to solve the neutron transport equation make use of the splitting of the transport operator taking into account its characteristics. In the present work we introduced a new algorithm based on this splitting and an adaptation of minimal residual methods to infinite dimensional case. We present the case where the velocity space is of dimension 1 (slab geometry) and 2 (plane geometry) because the splitting is simpler in the former
An analytical model for predicting transport in a coupled vadose/phreatic system
International Nuclear Information System (INIS)
Tomasko, D.
1997-05-01
A simple analytical model is presented for predicting the transport of a contaminant in both the unsaturated (vadose) and saturated (phreatic) zones following a surficial spill. The model incorporates advection, dispersion, adsorption, and first-order decay in both zones and couples the transport processes at the water table. The governing equation is solved by using the method of Laplace transforms, with numerical inversion of the Laplace space equation for concentration. Because of the complexity of the functional form for the Laplace space solution, a numerical methodology using the real and imaginary parts of a Fourier series was implemented. To reduce conservatism in the model, dilution at the water table was also included. Verification of the model is demonstrated by its ability to reproduce the source history at the surface and to replicate appropriate one-dimensional transport through either the vadose or phreatic zone. Because of its simplicity and lack of detailed input data requirements, the model is recommended for scoping calculations
Energy Technology Data Exchange (ETDEWEB)
Franke, Brian Claude; Kensek, Ronald Patrick; Laub, Thomas William
2005-09-01
ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the makefile system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 5.0, the latest version of ITS, contains (1) improvements to the ITS 3.0 continuous-energy codes, (2) multigroup codes with adjoint transport capabilities, (3) parallel implementations of all ITS codes, (4) a general purpose geometry engine for linking with CAD or other geometry formats, and (5) the Cholla facet geometry library. Moreover, the general user friendliness of the software has been enhanced through increased internal error checking and improved code portability.
Macroscopic models for traffic safety.
Oppe, S.
1988-01-01
Recently there has been an increased interest in the application of macroscopic models for the description of developments in traffic safety. A discussion was started on the causes of the sudden decrease in the number of fatal and injury accidents after 1974. Before that time these numbers had
Yeh, G. T.; Tsai, C. H.
2015-12-01
This paper presents the development of a THMC (thermal-hydrology-mechanics-chemistry) process model in variably saturated media. The governing equations for variably saturated flow and reactive chemical transport are obtained based on the mass conservation principle of species transport supplemented with Darcy's law, constraint of species concentration, equation of states, and constitutive law of K-S-P (Conductivity-Degree of Saturation-Capillary Pressure). The thermal transport equation is obtained based on the conservation of energy. The geo-mechanic displacement is obtained based on the assumption of equilibrium. Conventionally, these equations have been implicitly coupled via the calculations of secondary variables based on primary variables. The mechanisms of coupling have not been obvious. In this paper, governing equations are explicitly coupled for all primary variables. The coupling is accomplished via the storage coefficients, transporting velocities, and conduction-dispersion-diffusion coefficient tensor; one set each for every primary variable. With this new system of equations, the coupling mechanisms become clear. Physical interpretations of every term in the coupled equations will be discussed. Examples will be employed to demonstrate the intuition and superiority of these explicit coupling approaches. Keywords: Variably Saturated Flow, Thermal Transport, Geo-mechanics, Reactive Transport.
Techniques to reduce memory requirements for coupled photon-electron transport
International Nuclear Information System (INIS)
Turcksin, Bruno; Ragusa, Jean; Morel, Jim
2011-01-01
In this work, we present two methods to decrease memory needs while solving the photon- electron transport equation. The coupled transport of electrons and photons is of importance in radiotherapy because it describes the interactions of X-rays with matter. One of the issues of discretized electron transport is that the electron scattering is highly forward peaked. A common approximation is to represent the peak in the scattering cross section by a Dirac distribution. This is convenient, but the integration over all angles of this distribution requires the use of Galerkin quadratures. By construction these quadratures impose that the number of flux moments be equal to the number of directions (number of angular fluxes), which is very demanding in terms of memory. In this study, we show that even if the number of moments is not as large as the number of directions, an accurate solution can be obtained when using Galerkin quadratures. Another method to decrease the memory needs involves choosing an appropriate reordering of the energy groups. We show in this paper that an appropriate alternation of photons/electrons groups allows to rewrite one transport problem of n groups as gcd successive transport problems of n/gcd groups where gcd is the greatest common divisor between the number of photon groups and the number of electron groups. (author)
Energy Technology Data Exchange (ETDEWEB)
Kocharian, Armen N. [Department of Physics, California State University, Los Angeles, CA 90032 (United States); Fernando, Gayanath W.; Fang, Kun [Department of Physics, University of Connecticut, Storrs, Connecticut 06269 (United States); Palandage, Kalum [Department of Physics, Trinity College, Hartford, Connecticut 06106 (United States); Balatsky, Alexander V. [AlbaNova University Center Nordita, SE-106 91 Stockholm (Sweden)
2016-05-15
Rashba spin-orbit effects and electron correlations in the two-dimensional cylindrical lattices of square geometries are assessed using mesoscopic two-, three- and four-leg ladder structures. Here the electron transport properties are systematically calculated by including the spin-orbit coupling in tight binding and Hubbard models threaded by a magnetic flux. These results highlight important aspects of possible symmetry breaking mechanisms in square ladder geometries driven by the combined effect of a magnetic gauge field spin-orbit interaction and temperature. The observed persistent current, spin and charge polarizations in the presence of spin-orbit coupling are driven by separation of electron and hole charges and opposite spins in real-space. The modeled spin-flip processes on the pairing mechanism induced by the spin-orbit coupling in assembled nanostructures (as arrays of clusters) engineered in various two-dimensional multi-leg structures provide an ideal playground for understanding spatial charge and spin density inhomogeneities leading to electron pairing and spontaneous phase separation instabilities in unconventional superconductors. Such studies also fall under the scope of current challenging problems in superconductivity and magnetism, topological insulators and spin dependent transport associated with numerous interfaces and heterostructures.
Directory of Open Access Journals (Sweden)
Armen N. Kocharian
2016-05-01
Full Text Available Rashba spin-orbit effects and electron correlations in the two-dimensional cylindrical lattices of square geometries are assessed using mesoscopic two-, three- and four-leg ladder structures. Here the electron transport properties are systematically calculated by including the spin-orbit coupling in tight binding and Hubbard models threaded by a magnetic flux. These results highlight important aspects of possible symmetry breaking mechanisms in square ladder geometries driven by the combined effect of a magnetic gauge field spin-orbit interaction and temperature. The observed persistent current, spin and charge polarizations in the presence of spin-orbit coupling are driven by separation of electron and hole charges and opposite spins in real-space. The modeled spin-flip processes on the pairing mechanism induced by the spin-orbit coupling in assembled nanostructures (as arrays of clusters engineered in various two-dimensional multi-leg structures provide an ideal playground for understanding spatial charge and spin density inhomogeneities leading to electron pairing and spontaneous phase separation instabilities in unconventional superconductors. Such studies also fall under the scope of current challenging problems in superconductivity and magnetism, topological insulators and spin dependent transport associated with numerous interfaces and heterostructures.
Interpretation of heat and density pulse measurements in JET in terms of coupled transport
International Nuclear Information System (INIS)
Haas, J.C.M. de; O'Rourke, J.; Sips, A.C.C.; Lopes Cardozo, N.J.
1990-01-01
The perturbations of electron density and temperature profiles in a tokamak following a sawtooth collapse are considered. An analytic model for the interpretation of such perturbations is presented. It is shown that the perturbation can be decomposed into two contributions, which are eigenmodes of the linearised coupled diffusion equations for particle and energy. The approximations made in the analytical treatment are checked using computer simulations. Measurements of heat and density pulses in Joint European Torus are used to illustrate the power of the new approach. It is shown that using the coupled equations, an improved description of the heat and density pulses is obtained. The analysis yields the four diffusion coefficients in the linearised transport matrix. The non-zero off-diagonal elements explain certain salient features of the measurements, notably a marked decrease of the local density which occurs during the maximum of the temperature pulse. (author)
Electrical and thermal transport in the quasiatomic limit of coupled Luttinger liquids
Szasz, Aaron; Ilan, Roni; Moore, Joel E.
2017-02-01
We introduce a new model for quasi-one-dimensional materials, motivated by intriguing but not yet well-understood experiments that have shown two-dimensional polymer films to be promising materials for thermoelectric devices. We consider a two-dimensional material consisting of many one-dimensional systems, each treated as a Luttinger liquid, with weak (incoherent) coupling between them. This approximation of strong interactions within each one-dimensional chain and weak coupling between them is the "quasiatomic limit." We find integral expressions for the (interchain) transport coefficients, including the electrical and thermal conductivities and the thermopower, and we extract their power law dependencies on temperature. Luttinger liquid physics is manifested in a violation of the Wiedemann-Franz law; the Lorenz number is larger than the Fermi liquid value by a factor between γ2 and γ4, where γ ≥1 is a measure of the electron-electron interaction strength in the system.
Valocchi, A. J.; Laleian, A.; Werth, C. J.
2017-12-01
Perturbation of natural subsurface systems by fluid inputs may induce geochemical or microbiological reactions that change porosity and permeability, leading to complex coupled feedbacks between reaction and transport processes. Some examples are precipitation/dissolution processes associated with carbon capture and storage and biofilm growth associated with contaminant transport and remediation. We study biofilm growth due to mixing controlled reaction of multiple substrates. As biofilms grow, pore clogging occurs which alters pore-scale flow paths thus changing the mixing and reaction. These interactions are challenging to quantify using conventional continuum-scale porosity-permeability relations. Pore-scale models can accurately resolve coupled reaction, biofilm growth and transport processes, but modeling at this scale is not feasible for practical applications. There are two approaches to address this challenge. Results from pore-scale models in generic pore structures can be used to develop empirical relations between porosity and continuum-scale parameters, such as permeability and dispersion coefficients. The other approach is to develop a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled by a suitable method that ensures continuity of flux across the interface. Thus, regions of high reactivity where flow alteration occurs are resolved at the pore scale for accuracy while regions of low reactivity are resolved at the continuum scale for efficiency. This approach thus avoids the need for empirical upscaling relations in regions with strong feedbacks between reaction and porosity change. We explore and compare these approaches for several two-dimensional cases.
Continuous energy adjoint Monte Carlo for coupled neutron-photon transport
Energy Technology Data Exchange (ETDEWEB)
Hoogenboom, J.E. [Delft Univ. of Technology (Netherlands). Interfaculty Reactor Inst.
2001-07-01
Although the theory for adjoint Monte Carlo calculations with continuous energy treatment for neutrons as well as for photons is known, coupled neutron-photon transport problems present fundamental difficulties because of the discrete energies of the photons produced by neutron reactions. This problem was solved by forcing the energy of the adjoint photon to the required discrete value by an adjoint Compton scattering reaction or an adjoint pair production reaction. A mathematical derivation shows the exact procedures to follow for the generation of an adjoint neutron and its statistical weight. A numerical example demonstrates that correct detector responses are obtained compared to a standard forward Monte Carlo calculation. (orig.)
Line photon transport in a non-homogeneous plasma using radiative coupling coefficients
International Nuclear Information System (INIS)
Florido, R.; Gil, J.M.; Rodriguez, R.; Rubiano, J.G.; Martel, P.; Florido, R.; Gil, J.M.; Rodriguez, R.; Rubiano, J.G.; Martel, P.; Minguez, E.
2006-01-01
We present a steady-state collisional-radiative model for the calculation of level populations in non-homogeneous plasmas with planar geometry. The line photon transport is taken into account following an angle- and frequency-averaged escape probability model. Several models where the same approach has been used can be found in the literature, but the main difference between our model and those ones is that the details of geometry are exactly treated in the definition of coupling coefficients and a local profile is taken into account in each plasma cell. (authors)
Parallel processing implementation for the coupled transport of photons and electrons using OpenMP
Doerner, Edgardo
2016-05-01
In this work the use of OpenMP to implement the parallel processing of the Monte Carlo (MC) simulation of the coupled transport for photons and electrons is presented. This implementation was carried out using a modified EGSnrc platform which enables the use of the Microsoft Visual Studio 2013 (VS2013) environment, together with the developing tools available in the Intel Parallel Studio XE 2015 (XE2015). The performance study of this new implementation was carried out in a desktop PC with a multi-core CPU, taking as a reference the performance of the original platform. The results were satisfactory, both in terms of scalability as parallelization efficiency.
Reactive transport modeling of coupled inorganic and organic processes in groundwater
Energy Technology Data Exchange (ETDEWEB)
Brun, Adam
1997-12-31
The main goals of this project are to develop and apply a reactive transport code for simulation of coupled organic and inorganic processes in the pollution plume in the ground water down-gradient from the Vejen landfill, Denmark. The detailed field investigations in this aquifer have previously revealed a complex pattern of strongly interdependent organic and inorganic processes. These processes occur simultaneously in a flow and transport system where the mixing of reactive species is influenced by the rather complex geology in the vicinity of the landfill. The removal of organic matter is influenced by the presence of various electron acceptors that also are involved in various inorganic geochemical reactions. It was concluded from the investigations that degradation of organic matter, complexation, mineral precipitation and dissolution, ion-exchange and inorganic redox reactions, as a minimum, should be included in the formulation of the model. The coupling of the organic and inorganic processes is developed based on a literature study. All inorganic processes are as an approximation described as equilibriumm processes. The organic processes are described by a maximum degradation rate that is decreased according to the availability of the participants in the processes, the actual pH, and the presence of inhibiting species. The reactive transport code consists of three separate codes, a flow and transport code, a geochemical code, and a biodegradation code. An iterative solution scheme couples the three codes. The coupled code was successfully verified for simple problems for which analytical solutions exist. For more complex problems the code was tested on synthetic cases and expected plume behavior was successfully simulated. Application of the code to the Vejen landfill aquifer was successful to the degree that the redox zonation down-gradient from the landfill was simulated correctly and that several of the simulated plumes showed a reasonable agreement with
Application of the Arbitrarily High Order Method to Coupled Electron Photon Transport
International Nuclear Information System (INIS)
Duo, Jose Ignacio
2004-01-01
This work is about the application of the Arbitrary High Order Nodal Method to coupled electron photon transport.A Discrete Ordinates code was enhanced and validated which permited to evaluate the advantages of using variable spatial development order per particle.The results obtained using variable spatial development and adaptive mesh refinement following an a posteriori error estimator are encouraging.Photon spectra for clinical accelerator target and, dose and charge depositio profiles are simulated in one-dimensional problems using cross section generated with CEPXS code.Our results are in good agreement with ONELD and MCNP codes
Discrete and continuum links to a nonlinear coupled transport problem of interacting populations
Duong, M. H.; Muntean, A.; Richardson, O. M.
2017-07-01
We are interested in exploring interacting particle systems that can be seen as microscopic models for a particular structure of coupled transport flux arising when different populations are jointly evolving. The scenarios we have in mind are inspired by the dynamics of pedestrian flows in open spaces and are intimately connected to cross-diffusion and thermo-diffusion problems holding a variational structure. The tools we use include a suitable structure of the relative entropy controlling TV-norms, the construction of Lyapunov functionals and particular closed-form solutions to nonlinear transport equations, a hydrodynamics limiting procedure due to Philipowski, as well as the construction of numerical approximates to both the continuum limit problem in 2D and to the original interacting particle systems.
A numerical solution of the coupled proton-H atom transport equations for the proton aurora
International Nuclear Information System (INIS)
Basu, B.; Jasperse, J.R.; Grossbard, N.J.
1990-01-01
A numerical code has been developed to solve the coupled proton-H atom linear transport equations for the proton aurora. The transport equations have been simplified by using plane-parallel geometry and the forward-scattering approximations only. Otherwise, the equations and their numerical solutions are exact. Results are presented for the particle fluxes and the energy deposition rates, and they are compared with the previous analytical results that were obtained by using additional simplifying approximations. It is found that although the analytical solutions for the particle fluxes differ somewhat from the numerical solutions, the energy deposition rates calculated by the two methods agree to within a few percent. The accurate particle fluxes given by the numerical code are useful for accurate calculation of the characteristic quantities of the proton aurora, such as the ionization rates and the emission rates
Coupled transport phenomena in a clay from a Callovo-Oxfordian formation
International Nuclear Information System (INIS)
Paszkuta, M.
2005-06-01
Low permeability materials containing clay play an important role in practical life and natural environment. Indeed, the ability of clay soils to act as semi permeable membranes, that inhibit the passage of electrolytes, is of great interest. The major objective of this thesis is to evaluate the transport properties of natural clays and in particular coupled transports when a pressure gradient, an electrical field, a concentration gradient and a temperature gradient interact. The material is a compact argillite extracted in East France from a Callovo-Oxfordian formation which was supplied to us by ANDRA. NaCl was used as the main solute. Two series of experiments were performed to measure permeability, diffusion, conductivity, the electro-osmotic coefficient and the Soret coefficient. (author)
Transport, atom blockade, and output coupling in a Tonks-Girardeau gas
International Nuclear Information System (INIS)
Rutherford, L.; McCann, J. F.; Goold, J.; Busch, Th.
2011-01-01
Recent experiments have demonstrated how quantum-mechanical impurities can be created within strongly correlated quantum gases and used to probe the coherence properties of these systems [S. Palzer, C. Zipkes, C. Sias, and M. Koehl, Phys. Rev. Lett. 103, 150601 (2009).]. Here we present a phenomenological model to simulate such an output coupler for a Tonks-Girardeau gas that shows qualitative agreement with the experimental results for atom transport and output coupling. Our model allows us to explore nonequilibrium transport phenomena in ultracold quantum gases and leads us to predict a regime of atom blockade, where the impurity component becomes localized in the parent cloud despite the presence of gravity. We show that this provides a stable mixed-species quantum gas in the strongly correlated limit.
To investigate the coupled effects of solution chemistry and vadose zone processes on the mobility of quantum dot (QD) nanoparticles, laboratory scale transport experiments were performed. The complex coupled effects of ionic strength, size of QD aggregates, surface tension, contact angle, infiltrat...
Modeling coupled nanoparticle aggregation and transport in porous media: a Lagrangian approach.
Taghavy, Amir; Pennell, Kurt D; Abriola, Linda M
2015-01-01
Changes in nanoparticle size and shape due to particle-particle interactions (i.e., aggregation or agglomeration) may significantly alter particle mobility and retention in porous media. To date, however, few modeling studies have considered the coupling of transport and particle aggregation processes. The majority of particle transport models employ an Eulerian modeling framework and are, consequently, limited in the types of collisions and aggregate sizes that can be considered. In this work, a more general Lagrangian modeling framework is developed and implemented to explore coupled nanoparticle aggregation and transport processes. The model was verified through comparison of model simulations to published results of an experimental and Eulerian modeling study (Raychoudhury et al., 2012) of carboxymethyl cellulose (CMC)-modified nano-sized zero-valent iron particle (nZVI) transport and retention in water-saturated sand columns. A model sensitivity analysis reveals the influence of influent particle concentration (ca. 70 to 700 mg/L), primary particle size (10-100 nm) and pore water velocity (ca. 1-6 m/day) on particle-particle, and, consequently, particle-collector interactions. Model simulations demonstrate that, when environmental conditions promote particle-particle interactions, neglecting aggregation effects can lead to under- or over-estimation of nanoparticle mobility. Results also suggest that the extent to which higher order particle-particle collisions influence aggregation kinetics will increase with the fraction of primary particles. This work demonstrates the potential importance of time-dependent aggregation processes on nanoparticle mobility and provides a numerical model capable of capturing/describing these interactions in water-saturated porous media. Copyright © 2014 Elsevier B.V. All rights reserved.
CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 User’s Guide
Energy Technology Data Exchange (ETDEWEB)
Freedman, Vicky L.; Chen, Yousu; Gilca, Alex; Cole, Charles R.; Gupta, Sumant K.
2006-07-20
The CFEST (Coupled Flow, Energy, and Solute Transport) simulator described in this User’s Guide is a three-dimensional finite-element model used to evaluate groundwater flow and solute mass transport. Confined and unconfined aquifer systems, as well as constant and variable density fluid flows can be represented with CFEST. For unconfined aquifers, the model uses a moving boundary for the water table, deforming the numerical mesh so that the uppermost nodes are always at the water table. For solute transport, changes in concentra¬tion of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardation factor, and radioactive decay. Although several thermal parameters described in this User’s Guide are required inputs, thermal transport has not yet been fully implemented in the simulator. Once fully implemented, transport of thermal energy in the groundwater and solid matrix of the aquifer can also be used to model aquifer thermal regimes. The CFEST simulator is written in the FORTRAN 77 language, following American National Standards Institute (ANSI) standards. Execution of the CFEST simulator is controlled through three required text input files. These input file use a structured format of associated groups of input data. Example input data lines are presented for each file type, as well as a description of the structured FORTRAN data format. Detailed descriptions of all input requirements, output options, and program structure and execution are provided in this User’s Guide. Required inputs for auxillary CFEST utilities that aide in post-processing data are also described. Global variables are defined for those with access to the source code. Although CFEST is a proprietary code (CFEST, Inc., Irvine, CA), the Pacific Northwest National Laboratory retains permission to maintain its own source, and to distribute executables to Hanford subcontractors.
Tripathy, Srijeet; Bhattacharyya, Tarun Kanti
2016-09-01
Due to excellent transport properties, Carbon nanotubes (CNTs) show a lot of promise in sensor and interconnect technology. However, recent studies indicate that the conductance in CNT/CNT junctions are strongly affected by the morphology and orientation between the tubes. For proper utilization of such junctions in the development of CNT based technology, it is essential to study the electronic properties of such junctions. This work presents a theoretical study of the electrical transport properties of metallic Carbon nanotube homo-junctions. The study focuses on discerning the role of inter-tube interactions, quantum interference and scattering on the transport properties on junctions between identical tubes. The electronic structure and transport calculations are conducted with an Extended Hückel Theory-Non Equilibrium Green's Function based model. The calculations indicate conductance to be varying with a changing crossing angle, with maximum conductance corresponding to lattice registry, i.e. parallel configuration between the two tubes. Further calculations for such parallel configurations indicate onset of short and long range oscillations in conductance with respect to changing overlap length. These oscillations are attributed to inter-tube coupling effects owing to changing π orbital overlap, carrier scattering and quantum interference of the incident, transmitted and reflected waves at the inter-tube junction.
International Nuclear Information System (INIS)
Liu, X.; Ortoleva, P.
1996-01-01
The use of reaction-transport modeling for reservoir assessment and management in the context of deep well waste injection is evaluated. The study is based on CIRF.A (Chemical Interaction of Rock and Fluid), a fully coupled multiphase flow, contaminant transport, and fluid and mineral reaction model. Although SWIFT (Sandia Waste-Isolation Flow and Transport Model) is often the numerical model of choice, it can not account for chemical reactions involving rock, wastes, and formation fluids and their effects on contaminant transport, rock permeability and porosity, and the integrity of the reservoir and confining units. CIRF.A can simulate all these processes. Two field cases of waste injection were simulated by CIRF.A. Both observation data and simulation results show mineral precipitation in one case and rock dissolution in another case. Precipitation and dissolution change rock porosity and permeability, and hence the pattern of fluid migration. The model is shown to be invaluable in analyzing near borehole and reservoir-scale effects during waste injection and predicting the 10,000 year fate of the waste plume. The benefits of using underpressured compartments as waste repositories were also demonstrated by CIRF.A simulations
Coupled hydrogeological and reactive transport modelling of the Simpevarp area (Sweden)
International Nuclear Information System (INIS)
Molinero, Jorge; Raposo, Juan R.; Galindez, Juan M.; Arcos, David; Guimera, Jordi
2008-01-01
The Simpevarp area is one of the alternative sites being considered for the deep geological disposal of high level radioactive waste in Sweden. In this paper, a coupled regional groundwater flow and reactive solute transport model of the Simpevarp area is presented that integrates current hydrogeological and hydrochemical data of the area. The model simulates the current hydrochemical pattern of the groundwater system in the area. To that aim, a conceptual hydrochemical model was developed in order to represent the dominant chemical processes. Groundwater flow conditions were reproduced by taking into account fluid-density-dependent groundwater flow and regional hydrogeologic boundary conditions. Reactive solute transport calculations were performed on the basis of the velocity field so obtained. The model was calibrated and sensitivity analyses were carried out in order to investigate the effects of heterogeneities of hydraulic conductivity in the subsurface medium. Results provided by the reactive transport model are in good agreement with much of the measured hydrochemical data. This paper emphasizes the appropriateness of the use of reactive solute transport models when water-rock interaction reactions are involved, and demonstrates what powerful tools they are for the interpretation of hydrogeological and hydrochemical data from site geological repository characterization programs, by providing a qualitative framework for data analysis and testing of conceptual assumptions in a process-oriented approach
Macroscopic quantum tunneling in a dc SQUID
International Nuclear Information System (INIS)
Chen, Y.C.
1986-01-01
The theory of macroscopic quantum tunneling is applied to a current-biased dc SQUID whose dynamics can be described by a two-dimensional mechanical system with a dissipative environment. Based on the phenomenological model proposed by Caldeira and Leggett, the dissipative environment is represented by a set of harmonic oscillators coupling to the system. After integrating out the environmental degrees of freedom, an effective Euclidean action is found for the two-dimensional system. The action is used to provide the quantum tunneling rate formalism for the dc SQUID. Under certain conditions, the tunneling rate reduces to that of a single current-biased Josephson junction with an adjustable effective critical current
International Nuclear Information System (INIS)
Zazula, J.M.
1984-01-01
This work concerns calculation of a neutron response, caused by a neutron field perturbed by materials surrounding the source or the detector. Solution of a problem is obtained using coupling of the Monte Carlo radiation transport computation for the perturbed region and the discrete ordinates transport computation for the unperturbed system. (author). 62 refs
Quantum close coupling calculation of transport and relaxation properties for Hg-H_2 system
International Nuclear Information System (INIS)
Nemati-Kande, Ebrahim; Maghari, Ali
2016-01-01
Highlights: • Several relaxation cross sections are calculated for Hg-H_2 van der Waals complex. • These cross sections are calculated from exact close-coupling method. • Energy-dependent SBE cross sections are calculated for ortho- and para-H_2 + Hg systems. • Viscosity and diffusion coefficients are calculated using Mason-Monchick approximation. • The results obtained by Mason-Monchick approximation are compared to the exact close-coupling results. - Abstract: Quantum mechanical close coupling calculation of the state-to-state transport and relaxation cross sections have been done for Hg-H_2 molecular system using a high-level ab initio potential energy surface. Rotationally averaged cross sections were also calculated to obtain the energy dependent Senftleben-Beenakker cross sections at the energy range of 0.005–25,000 cm"−"1. Boltzmann averaging of the energy dependent Senftleben-Beenakker cross sections showed the temperature dependency over a wide temperature range of 50–2500 K. Interaction viscosity and diffusion coefficients were also calculated using close coupling cross sections and full classical Mason-Monchick approximation. The results were compared with each other and with the available experimental data. It was found that Mason-Monchick approximation for viscosity is more reliable than diffusion coefficient. Furthermore, from the comparison of the experimental diffusion coefficients with the result of the close coupling and Mason-Monchick approximation, it was found that the Hg-H_2 potential energy surface used in this work can reliably predict diffusion coefficient data.
Quantum close coupling calculation of transport and relaxation properties for Hg-H{sub 2} system
Energy Technology Data Exchange (ETDEWEB)
Nemati-Kande, Ebrahim; Maghari, Ali, E-mail: maghari@ut.ac.ir
2016-11-10
Highlights: • Several relaxation cross sections are calculated for Hg-H{sub 2} van der Waals complex. • These cross sections are calculated from exact close-coupling method. • Energy-dependent SBE cross sections are calculated for ortho- and para-H{sub 2} + Hg systems. • Viscosity and diffusion coefficients are calculated using Mason-Monchick approximation. • The results obtained by Mason-Monchick approximation are compared to the exact close-coupling results. - Abstract: Quantum mechanical close coupling calculation of the state-to-state transport and relaxation cross sections have been done for Hg-H{sub 2} molecular system using a high-level ab initio potential energy surface. Rotationally averaged cross sections were also calculated to obtain the energy dependent Senftleben-Beenakker cross sections at the energy range of 0.005–25,000 cm{sup −1}. Boltzmann averaging of the energy dependent Senftleben-Beenakker cross sections showed the temperature dependency over a wide temperature range of 50–2500 K. Interaction viscosity and diffusion coefficients were also calculated using close coupling cross sections and full classical Mason-Monchick approximation. The results were compared with each other and with the available experimental data. It was found that Mason-Monchick approximation for viscosity is more reliable than diffusion coefficient. Furthermore, from the comparison of the experimental diffusion coefficients with the result of the close coupling and Mason-Monchick approximation, it was found that the Hg-H{sub 2} potential energy surface used in this work can reliably predict diffusion coefficient data.
DEFF Research Database (Denmark)
Muniruzzaman, Muhammad; Rolle, Massimo
2016-01-01
is coupled with the geochemical code PHREEQC-3 by utilizing the IPhreeqc module, thus enabling to perform the geochemical calculations included in the PHREEQC's reaction package. The multicomponent reactive transport code is benchmarked with different 1-D and 2-D transport problems. Successively...... the electrostatic interactions during transport of charged ions in physically and chemically heterogeneous porous media. The modeling approach is based on the local charge balance and on the description of compound-specific and spatially variable diffusive/dispersive fluxes. The multicomponent ionic transport code......, conservative and reactive transport examples are presented to demonstrate the capability of the proposed model to simulate transport of charged species in heterogeneous porous media with spatially variable physical and chemical properties. The results reveal that the Coulombic cross-coupling between dispersive...
Plasma Membrane Na+-Coupled Citrate Transporter (SLC13A5 and Neonatal Epileptic Encephalopathy
Directory of Open Access Journals (Sweden)
Yangzom D. Bhutia
2017-02-01
Full Text Available SLC13A5 is a Na+-coupled transporter for citrate that is expressed in the plasma membrane of specific cell types in the liver, testis, and brain. It is an electrogenic transporter with a Na+:citrate3− stoichiometry of 4:1. In humans, the Michaelis constant for SLC13A5 to transport citrate is ~600 μM, which is physiologically relevant given that the normal concentration of citrate in plasma is in the range of 150–200 μM. Li+ stimulates the transport function of human SLC13A5 at concentrations that are in the therapeutic range in patients on lithium therapy. Human SLC13A5 differs from rodent Slc13a5 in two important aspects: the affinity of the human transporter for citrate is ~30-fold less than that of the rodent transporter, thus making human SLC13A5 a low-affinity/high-capacity transporter and the rodent Slc13a5 a high-affinity/low-capacity transporter. In the liver, SLC13A5 is expressed exclusively in the sinusoidal membrane of the hepatocytes, where it plays a role in the uptake of circulating citrate from the sinusoidal blood for metabolic use. In the testis, the transporter is expressed only in spermatozoa, which is also only in the mid piece where mitochondria are located; the likely function of the transporter in spermatozoa is to mediate the uptake of citrate present at high levels in the seminal fluid for subsequent metabolism in the sperm mitochondria to generate biological energy, thereby supporting sperm motility. In the brain, the transporter is expressed mostly in neurons. As astrocytes secrete citrate into extracellular medium, the potential function of SLC13A5 in neurons is to mediate the uptake of circulating citrate and astrocyte-released citrate for subsequent metabolism. Slc13a5-knockout mice have been generated; these mice do not have any overt phenotype but are resistant to experimentally induced metabolic syndrome. Recently however, loss-of-function mutations in human SLC13A5 have been found to cause severe epilepsy
Coupled Fluid, Energy, and Solute Transport (CFEST) model: Formulation and user's manual
International Nuclear Information System (INIS)
Gupta, S.K.; Cole, C.R.; Kincaid, C.T.; Monti, A.M.
1987-10-01
The CFEST (Coupled Fluid, Energy, and Solute Transport) code has been developed to analyze coupled hydrologic, thermal, and solute transport processes. It treats single-pahse Darcy ground-water flow in a horizontal or vertical plane, or in fully three-dimensional space under nonisothermal conditions. The code has the capability to model discontinuous and continuous layering, time-dependent and constant sources/sinks, and transient as well as steady-stae ground-water flow. The code offers a wide choice of boundary conditions such as precsribed heads, nodal injection or withdrawal, constant or spatially varying infiltration rates, and welemental source/sink. Initial conditions for the flow analysis can be prescribed pressure or hydraulic head. The heterogeneity in aquifer permeability and porosity can be described by geologic unit or explicity for given elements. Three-dimensional elelments are generated from user-defined well logs at each surface node. To facilitate interaction between disciplines, support programs are provided to plot the finite element grid, well logs, contour maps of input and output parameters, and vertical cross sections. Ground-water travel paths and times and volumetric rates from a specified point can be determined from support programs. This report includes governing partial differential equations, finite element formulation, a use's manual, verification test examples, sample problems, and source listings. 36 refs., 121 figs., 36 tabs
International Nuclear Information System (INIS)
Hodgson, K.M.; Lunsford, T.R.; Panjabi, G.
1994-01-01
The Reverse Osmosis/Coupled Transport process is a innovative means of removing radionuclides from contaminated groundwater at the Hanford Site. Specifically, groundwater in the 200 West Area of the Hanford Site has been contaminated with uranium, technetium, and nitrate. Investigations are proceeding to determine the most cost effective method to remove these contaminants. The process described in this paper combines three different membrane technologies (reverse osmosis, coupled transport, and nanofiltration to purify the groundwater while extracting and concentrating uranium, technetium, and nitrate into separate solutions. This separation allows for the future use of the radionuclides, if needed, and reduces the amount of waste that will need to be disposed of. This process has the potential to concentrate the contaminants into solutions with volumes in a ratio of 1/10,000 of the feed volume. This compares to traditional volume reductions of 10 to 100 for ion exchange and stand-alone reverse osmosis. The successful demonstration of this technology could result in significant savings in the overall cost of decontaminating the groundwater
Mass-corrections for the conservative coupling of flow and transport on collocated meshes
Energy Technology Data Exchange (ETDEWEB)
Waluga, Christian, E-mail: waluga@ma.tum.de [Institute for Numerical Mathematics (M2), Technische Universität München, Boltzmannstraße 3, D-85748 Garching bei München (Germany); Wohlmuth, Barbara [Institute for Numerical Mathematics (M2), Technische Universität München, Boltzmannstraße 3, D-85748 Garching bei München (Germany); Rüde, Ulrich [Department of Computer Science 10, University Erlangen–Nuremberg, Cauerstr. 11, D-91058 Erlangen (Germany)
2016-01-15
Buoyancy-driven flow models demand a careful treatment of the mass-balance equation to avoid spurious source and sink terms in the non-linear coupling between flow and transport. In the context of finite-elements, it is therefore commonly proposed to employ sufficiently rich pressure spaces, containing piecewise constant shape functions to obtain local or even strong mass-conservation. In three-dimensional computations, this usually requires nonconforming approaches, special meshes or higher order velocities, which make these schemes prohibitively expensive for some applications and complicate the implementation into legacy code. In this paper, we therefore propose a lean and conservatively coupled scheme based on standard stabilized linear equal-order finite elements for the Stokes part and vertex-centered finite volumes for the energy equation. We show that in a weak mass-balance it is possible to recover exact conservation properties by a local flux-correction which can be computed efficiently on the control volume boundaries of the transport mesh. We discuss implementation aspects and demonstrate the effectiveness of the flux-correction by different two- and three-dimensional examples which are motivated by geophysical applications.
Energy Technology Data Exchange (ETDEWEB)
O' Brien, M. J.; Brantley, P. S.
2015-01-20
In order to run Monte Carlo particle transport calculations on new supercomputers with hundreds of thousands or millions of processors, care must be taken to implement scalable algorithms. This means that the algorithms must continue to perform well as the processor count increases. In this paper, we examine the scalability of:(1) globally resolving the particle locations on the correct processor, (2) deciding that particle streaming communication has finished, and (3) efficiently coupling neighbor domains together with different replication levels. We have run domain decomposed Monte Carlo particle transport on up to 2^{21} = 2,097,152 MPI processes on the IBM BG/Q Sequoia supercomputer and observed scalable results that agree with our theoretical predictions. These calculations were carefully constructed to have the same amount of work on every processor, i.e. the calculation is already load balanced. We also examine load imbalanced calculations where each domain’s replication level is proportional to its particle workload. In this case we show how to efficiently couple together adjacent domains to maintain within workgroup load balance and minimize memory usage.
Energy Technology Data Exchange (ETDEWEB)
Bal, G. [Electricite de France (EDF), Direction des Etudes et Recherches, 92 - Clamart (France)
1997-12-31
Neutron transport in nuclear reactors is well modeled by the linear Boltzmann transport equation. Its resolution is relatively easy but very expensive. To achieve whole core calculations, one has to consider simpler models, such as diffusion or homogeneous transport equations. However, the solutions may become inaccurate in particular situations (as accidents for instance). That is the reason why we wish to solve the equations on small area accurately and more coarsely on the remaining part of the core. It is than necessary to introduce some links between different discretizations or modelizations. In this note, we give some results on the coupling of different discretizations of all degrees of freedom of the integral-differential neutron transport equation (two degrees for the angular variable, on for the energy component, and two or three degrees for spatial position respectively in 2D (cylindrical symmetry) and 3D). Two chapters are devoted to the coupling of discrete ordinates methods (for angular discretization). The first one is theoretical and shows the well posing of the coupled problem, whereas the second one deals with numerical applications of practical interest (the results have been obtained from the neutron transport code developed at the R and D, which has been modified for introducing the coupling). Next, we present the nodal scheme RTN0, used for the spatial discretization. We show well posing results for the non-coupled and the coupled problems. At the end, we deal with the coupling of energy discretizations for the multigroup equations obtained by homogenization. Some theoretical results of the discretization of the velocity variable (well-posing of problems), which do not deal directly with the purposes of coupling, are presented in the annexes. (author). 34 refs.
Coupling of WRF and Building-resolved CFD Simulations for Greenhouse Gas Transport and Dispersion
Prasad, K.; Hu, H.; McDermott, R.; Lopez-Coto, I.; Davis, K. J.; Whetstone, J. R.; Lauvaux, T.
2014-12-01
The Indianapolis Flux Experiment (INFLUX) aims to use a top-down inversion methodology to quantify sources of Greenhouse Gas (GHG) emissions over an urban domain with high spatial and temporal resolution. Atmospheric transport of tracer gases from an emission source to a tower mounted receptor are usually conducted using the Weather Research and Forecasting (WRF) model. WRF is used extensively in the atmospheric community to simulate mesoscale atmospheric transport. For such simulations, WRF employs a parameterized turbulence model and does not resolve the fine scale dynamics that are generated by the flow around buildings and communities that are part of a large city. Since the model domain includes the city of Indianapolis, much of the flow of interest is over an urban topography. The NIST Fire Dynamics Simulator (FDS) is a computational fluid dynamics model to perform large eddy simulations of flow around buildings, but it has not been nested within a larger-scale atmospheric transport model such as WRF. FDS has the potential to evaluate the impact of complex urban topography on near-field dispersion and mixing that cannot be simulated with a mesoscale atmospheric model, and which may be important to determining urban GHG emissions using atmospheric measurements. A methodology has been developed to run FDS as a sub-grid scale model within a WRF simulation. The coupling is based on nudging the FDS flow field towards the one computed by WRF, and is currently limited to one way coupling performed in an off-line mode. Using the coupled WRF / FDS model, NIST will investigate the effects of the urban canopy at horizontal resolutions of 2-10 m. The coupled WRF-FDS simulations will be used to calculate the dispersion of tracer gases in an urban domain and to evaluate the upwind areas that contribute to tower observations, referred to in the inversion community as influence functions. Predicted mixing ratios will be compared with tower measurements and WRF simulations
Dual states estimation of a subsurface flow-transport coupled model using ensemble Kalman filtering
El Gharamti, Mohamad
2013-10-01
Modeling the spread of subsurface contaminants requires coupling a groundwater flow model with a contaminant transport model. Such coupling may provide accurate estimates of future subsurface hydrologic states if essential flow and contaminant data are assimilated in the model. Assuming perfect flow, an ensemble Kalman filter (EnKF) can be used for direct data assimilation into the transport model. This is, however, a crude assumption as flow models can be subject to many sources of uncertainty. If the flow is not accurately simulated, contaminant predictions will likely be inaccurate even after successive Kalman updates of the contaminant model with the data. The problem is better handled when both flow and contaminant states are concurrently estimated using the traditional joint state augmentation approach. In this paper, we introduce a dual estimation strategy for data assimilation into a one-way coupled system by treating the flow and the contaminant models separately while intertwining a pair of distinct EnKFs, one for each model. The presented strategy only deals with the estimation of state variables but it can also be used for state and parameter estimation problems. This EnKF-based dual state-state estimation procedure presents a number of novel features: (i) it allows for simultaneous estimation of both flow and contaminant states in parallel; (ii) it provides a time consistent sequential updating scheme between the two models (first flow, then transport); (iii) it simplifies the implementation of the filtering system; and (iv) it yields more stable and accurate solutions than does the standard joint approach. We conducted synthetic numerical experiments based on various time stepping and observation strategies to evaluate the dual EnKF approach and compare its performance with the joint state augmentation approach. Experimental results show that on average, the dual strategy could reduce the estimation error of the coupled states by 15% compared with the
Charge and Spin Transport in Spin-orbit Coupled and Topological Systems
Ndiaye, Papa Birame
2017-10-31
In the search for low power operation of microelectronic devices, spin-based solutions have attracted undeniable increasing interest due to their intrinsic magnetic nonvolatility. The ability to electrically manipulate the magnetic order using spin-orbit interaction, associated with the recent emergence of topological spintronics with its promise of highly efficient charge-to-spin conversion in solid state, offer alluring opportunities in terms of system design. Although the related technology is still at its infancy, this thesis intends to contribute to this engaging field by investigating the nature of the charge and spin transport in spin-orbit coupled and topological systems using quantum transport methods. We identified three promising building blocks for next-generation technology, three classes of systems that possibly enhance the spin and charge transport efficiency: (i)- topological insulators, (ii)- spin-orbit coupled magnonic systems, (iii)- topological magnetic textures (skyrmions and 3Q magnetic state). Chapter 2 reviews the basics and essential concepts used throughout the thesis: the spin-orbit coupling, the mathematical notion of topology and its importance in condensed matter physics, then topological magnetism and a zest of magnonics. In Chapter 3, we study the spin-orbit torques at the magnetized interfaces of 3D topological insulators. We demonstrated that their peculiar form, compared to other spin-orbit torques, have important repercussions in terms of magnetization reversal, charge pumping and anisotropic damping. In Chapter 4, we showed that the interplay between magnon current jm and magnetization m in homogeneous ferromagnets with Dzyaloshinskii-Moriya (DM) interaction, produces a field-like torque as well as a damping-like torque. These DM torques mediated by spin wave can tilt the imeaveraged magnetization direction and are similar to Rashba torques for electronic systems. Moreover, the DM torque is more efficient when magnons are
Extended Macroscopic Study of Dilute Gas Flow within a Microcavity
Directory of Open Access Journals (Sweden)
Mohamed Hssikou
2016-01-01
Full Text Available The behaviour of monatomic and dilute gas is studied in the slip and early transition regimes using the extended macroscopic theory. The gas is confined within a two-dimensional microcavity where the longitudinal sides are in the opposite motion with constant velocity ±Uw. The microcavity walls are kept at the uniform and reference temperature T0. Thus, the gas flow is transported only by the shear stress induced by the motion of upper and lower walls. From the macroscopic point of view, the regularized 13-moment equations of Grad, R13, are solved numerically. The macroscopic gas proprieties are studied for different values of the so-called Knudsen number (Kn, which gives the gas-rarefaction degree. The results are compared with those obtained using the classical continuum theory of Navier-Stokes and Fourier (NSF.
Kim, Seunghee
2015-08-19
Water acidification follows CO2 injection and leads to reactive fluid transport through pores and rock fractures, with potential implications to reservoirs and wells in CO2 geologic storage and enhanced oil recovery. Kinetic rate laws for dissolution reactions in calcite and anorthite are combined with Navier-Stokes law and advection-diffusion transport to perform geometry-coupled numerical simulations in order to study the evolution of chemical reactions, species concentration and fracture morphology. Results are summarized as a function of two dimensionless parameters: the Damköhler number Da which is the ratio between advection and reaction times, and the transverse Peclet number Pe defined as the ratio between the time for diffusion across the fracture and the time for advection along the fracture. Reactant species are readily consumed near the inlet in a carbonate reservoir when the flow velocity is low (low transverse Peclet number and Da>10-1). At high flow velocities, diffusion fails to homogenize the concentration field across the fracture (high transverse Peclet number Pe>10-1). When the reaction rate is low as in anorthite reservoirs (Da<10-1) reactant species are more readily transported towards the outlet. At a given Peclet number, a lower Damköhler number causes the flow channel to experience a more uniform aperture enlargement along the length of the fracture. When the length-to-aperture ratio is sufficiently large, say l/d>30, the system response resembles the solution for 1-D reactive fluid transport. A decreased length-to-aperture ratio slows the diffusive transport of reactant species to the mineral fracture surface, and analyses of fracture networks must take into consideration both the length and slenderness of individual fractures in addition to Pe and Da numbers.
Kim, Seunghee; Santamarina, Carlos
2015-01-01
Water acidification follows CO2 injection and leads to reactive fluid transport through pores and rock fractures, with potential implications to reservoirs and wells in CO2 geologic storage and enhanced oil recovery. Kinetic rate laws for dissolution reactions in calcite and anorthite are combined with Navier-Stokes law and advection-diffusion transport to perform geometry-coupled numerical simulations in order to study the evolution of chemical reactions, species concentration and fracture morphology. Results are summarized as a function of two dimensionless parameters: the Damköhler number Da which is the ratio between advection and reaction times, and the transverse Peclet number Pe defined as the ratio between the time for diffusion across the fracture and the time for advection along the fracture. Reactant species are readily consumed near the inlet in a carbonate reservoir when the flow velocity is low (low transverse Peclet number and Da>10-1). At high flow velocities, diffusion fails to homogenize the concentration field across the fracture (high transverse Peclet number Pe>10-1). When the reaction rate is low as in anorthite reservoirs (Da<10-1) reactant species are more readily transported towards the outlet. At a given Peclet number, a lower Damköhler number causes the flow channel to experience a more uniform aperture enlargement along the length of the fracture. When the length-to-aperture ratio is sufficiently large, say l/d>30, the system response resembles the solution for 1-D reactive fluid transport. A decreased length-to-aperture ratio slows the diffusive transport of reactant species to the mineral fracture surface, and analyses of fracture networks must take into consideration both the length and slenderness of individual fractures in addition to Pe and Da numbers.
International Nuclear Information System (INIS)
Mo Zeyao
2004-11-01
Multiphysics parallel numerical simulations are usually essential to simplify researches on complex physical phenomena in which several physics are tightly coupled. It is very important on how to concatenate those coupled physics for fully scalable parallel simulation. Meanwhile, three objectives should be balanced, the first is efficient data transfer among simulations, the second and the third are efficient parallel executions and simultaneously developments of those simulation codes. Two concatenating algorithms for multiphysics parallel numerical simulations coupling radiation hydrodynamics with neutron transport on unstructured grid are presented. The first algorithm, Fully Loosely Concatenation (FLC), focuses on the independence of code development and the independence running with optimal performance of code. The second algorithm. Two Level Tightly Concatenation (TLTC), focuses on the optimal tradeoffs among above three objectives. Theoretical analyses for communicational complexity and parallel numerical experiments on hundreds of processors on two parallel machines have showed that these two algorithms are efficient and can be generalized to other multiphysics parallel numerical simulations. In especial, algorithm TLTC is linearly scalable and has achieved the optimal parallel performance. (authors)
Chua, V. P.
2015-12-01
Intensive agricultural, economic and industrial activities in Singapore and Malaysia have made our coastal areas under high risk of water pollution. A coupled ocean-hydrologic model is employed to perform three-dimensional simulations of flow and pollutant transport in Singapore coastal waters. The hydrologic SWAT model is coupled with the coastal ocean SUNTANS model by outputting streamflow and pollutant concentrations from the SWAT model and using them as inputs for the SUNTANS model at common boundary points. The coupled model is calibrated with observed sea surface elevations and velocities, and high correlation coefficients that exceed 0.97 and 0.91 are found for sea surface elevations and velocities, respectively. The pollutants are modeled as Gaussian passive tracers, and are released at five upstream locations in Singapore coastal waters. During the Northeast monsoon, pollutants released in Source 1 (Johor River), Source 2 (Tiram River), Source 3 (Layang River) and Source 4 (Layau River) enter the Singapore Strait after 4 days of release and reach Sentosa Island within 9 days. Meanwhile, pollutants released in Source 5 (Kallang River) reach Sentosa Island after 4 days. During the Southwest monsoon, the dispersion time is roughly doubled, with pollutants from Sources 1 - 4 entering the Singapore Strait only after 12 days of release due to weak currents.
Energy Technology Data Exchange (ETDEWEB)
Baker, Randal Scott [Univ. of Arizona, Tucson, AZ (United States)
1990-01-01
The neutron transport equation is solved by a hybrid method that iteratively couples regions where deterministic (S_{N}) and stochastic (Monte Carlo) methods are applied. Unlike previous hybrid methods, the Monte Carlo and S_{N} regions are fully coupled in the sense that no assumption is made about geometrical separation or decoupling. The hybrid method provides a new means of solving problems involving both optically thick and optically thin regions that neither Monte Carlo nor S_{N} is well suited for by themselves. The fully coupled Monte Carlo/S_{N} technique consists of defining spatial and/or energy regions of a problem in which either a Monte Carlo calculation or an S_{N} calculation is to be performed. The Monte Carlo region may comprise the entire spatial region for selected energy groups, or may consist of a rectangular area that is either completely or partially embedded in an arbitrary S_{N} region. The Monte Carlo and S_{N} regions are then connected through the common angular boundary fluxes, which are determined iteratively using the response matrix technique, and volumetric sources. The hybrid method has been implemented in the S_{N} code TWODANT by adding special-purpose Monte Carlo subroutines to calculate the response matrices and volumetric sources, and linkage subrountines to carry out the interface flux iterations. The common angular boundary fluxes are included in the S_{N} code as interior boundary sources, leaving the logic for the solution of the transport flux unchanged, while, with minor modifications, the diffusion synthetic accelerator remains effective in accelerating S_{N} calculations. The special-purpose Monte Carlo routines used are essentially analog, with few variance reduction techniques employed. However, the routines have been successfully vectorized, with approximately a factor of five increase in speed over the non-vectorized version.
Coupled Ca2+/H+ transport by cytoplasmic buffers regulates local Ca2+ and H+ ion signaling.
Swietach, Pawel; Youm, Jae-Boum; Saegusa, Noriko; Leem, Chae-Hun; Spitzer, Kenneth W; Vaughan-Jones, Richard D
2013-05-28
Ca(2+) signaling regulates cell function. This is subject to modulation by H(+) ions that are universal end-products of metabolism. Due to slow diffusion and common buffers, changes in cytoplasmic [Ca(2+)] ([Ca(2+)]i) or [H(+)] ([H(+)]i) can become compartmentalized, leading potentially to complex spatial Ca(2+)/H(+) coupling. This was studied by fluorescence imaging of cardiac myocytes. An increase in [H(+)]i, produced by superfusion of acetate (salt of membrane-permeant weak acid), evoked a [Ca(2+)]i rise, independent of sarcolemmal Ca(2+) influx or release from mitochondria, sarcoplasmic reticulum, or acidic stores. Photolytic H(+) uncaging from 2-nitrobenzaldehyde also raised [Ca(2+)]i, and the yield was reduced following inhibition of glycolysis or mitochondrial respiration. H(+) uncaging into buffer mixtures in vitro demonstrated that Ca(2+) unloading from proteins, histidyl dipeptides (HDPs; e.g., carnosine), and ATP can underlie the H(+)-evoked [Ca(2+)]i rise. Raising [H(+)]i tonically at one end of a myocyte evoked a local [Ca(2+)]i rise in the acidic microdomain, which did not dissipate. The result is consistent with uphill Ca(2+) transport into the acidic zone via Ca(2+)/H(+) exchange on diffusible HDPs and ATP molecules, energized by the [H(+)]i gradient. Ca(2+) recruitment to a localized acid microdomain was greatly reduced during intracellular Mg(2+) overload or by ATP depletion, maneuvers that reduce the Ca(2+)-carrying capacity of HDPs. Cytoplasmic HDPs and ATP underlie spatial Ca(2+)/H(+) coupling in the cardiac myocyte by providing ion exchange and transport on common buffer sites. Given the abundance of cellular HDPs and ATP, spatial Ca(2+)/H(+) coupling is likely to be of general importance in cell signaling.
Holland, Christopher George
Studies of nonlinear couplings and dynamics in plasma turbulence are presented. Particular areas of focus are analytic studies of coherent structure formation in electron temperature gradient turbulence, measurement of nonlinear energy transfer in simulations of plasma turbulence, and bispectral analysis of experimental and computational data. The motivation for these works has been to develop and expand the existing theories of plasma transport, and verify the nonlinear predictions of those theories in simulation and experiment. In Chapter II, we study electromagnetic secondary instabilities of electron temperature gradient turbulence. The growth rate for zonal flow generation via modulational instability of electromagnetic ETG turbulence is calculated, as well as that for zonal (magnetic) field generation. In Chapter III, the stability and saturation of streamers in ETG turbulence is considered, and shown to depend sensitively upon geometry and the damping rates of the Kelvin-Helmholtz mode. Requirements for a credible theory of streamer transport are presented. In addition, a self-consistent model for interactions between ETG and ITG (ion temperature gradient) turbulence is presented. In Chapter IV, the nonlinear transfer of kinetic and internal energy is measured in simulations of plasma turbulence. The regulation of turbulence by radial decorrelation due to zonal flows and generation of zonal flows via the Reynolds stress are explicitly demonstrated, and shown to be symmetric facets of a single nonlinear process. Novel nonlinear saturation mechanisms for zonal flows are discussed. In Chapter V, measurements of fluctuation bicoherence in the edge of the DIII-D tokamak are presented. It is shown that the bicoherence increases transiently before a L-H transition, and decays to its initial value after the barrier has formed. The increase in bicoherence is localized to the region where the transport barrier forms, and shows strong coupling between well
Na+-coupled bicarbonate transporters in duodenum, collecting ducts and choroid plexus.
Praetorius, Jeppe
2010-01-01
Epithelia cover the internal and external surfaces of the organism and form barriers between the various compartments. Some of these epithelia are specialized for effective transmembrane or even transepithelial movement of acid-base equivalents. Certain epithelia with a high rate of HCO3- transport express a few potent Na+-coupled acid-base transporters to gain a net HCO3- movement across the epithelium. Examples of such epithelia are renal proximal tubules and pancreatic ducts. In contrast, multiple Na+-coupled HCO3- transporters are expressed in other HCO3- secreting epithelia, such as the duodenal mucosa or the choroid plexus, which maintain suitable intracellular pH despite a variable demand for secreting HCO3-. In the duodenum, the epithelial cells must secrete HCO3- for neutralization of the gastric acid, and at the same time prevent cellular acidification. During the neutralization, large quantities of CO2 are formed in the duodenal lumen, which enter the epithelial cells. This would tend to lower intracellular pH and require effective counteracting mechanisms to avoid cell death and to maintain HCO3- secretion. The choroid plexus secretes the cerebrospinal fluid (CSF) and controls the pH of the otherwise poorly buffered CSF. The pCO2 of CSF fluctuates with plasma pCO2, and the choroid plexus must regulate the HCO3- secretion to minimize the effects of these fluctuations on CSF pH. This is done while maintaining pH neutrality in the epithelial cells. Thus, the Na+-HCO3- cotransporters appear to be involved in HCO3- import in more epithelia, where Na+/H+ exchangers were until recently thought to be sufficient for maintaining intracellular pH.
Reactive Transport and Coupled THM Processes in Engineering Barrier Systems (EBS)
International Nuclear Information System (INIS)
Steefel, Carl; Rutqvist, Jonny; Tsang, Chin-Fu; Liu, Hui-Hai; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens
2010-01-01
Geological repositories for disposal of high-level nuclear wastes generally rely on a multi-barrier system to isolate radioactive wastes from the biosphere. The multi-barrier system typically consists of a natural barrier system, including repository host rock and its surrounding subsurface environment, and an engineering barrier system (EBS). EBS represents the man-made, engineered materials placed within a repository, including the waste form, waste canisters, buffer materials, backfill and seals (OECD, 2003). EBS plays a significant role in the containment and long-term retardation of radionuclide release. EBS is involved in complex thermal, hydrogeological, mechanical, chemical and biological processes, such as heat release due to radionuclide decay, multiphase flow (including gas release due to canister corrosion), swelling of buffer materials, radionuclide diffusive transport, waste dissolution and chemical reactions. All these processes are related to each other. An in-depth understanding of these coupled processes is critical for the performance assessment (PA) for EBS and the entire repository. Within the EBS group of Used Fuel Disposition (UFD) Campaign, LBNL is currently focused on (1) thermal-hydraulic-mechanical-chemical (THMC) processes in buffer materials (bentonite) and (2) diffusive transport in EBS associated with clay host rock, with a long-term goal to develop a full understanding of (and needed modeling capabilities to simulate) impacts of coupled processes on radionuclide transport in different components of EBS, as well as the interaction between near-field host rock (e.g., clay) and EBS and how they effect radionuclide release. This final report documents the progress that LBNL has made in its focus areas. Specifically, Section 2 summarizes progress on literature review for THMC processes and reactive-diffusive radionuclide transport in bentonite. The literature review provides a picture of the state-of-the-art of the relevant research areas
Reactive Transport and Coupled THM Processes in Engineering Barrier Systems (EBS)
Energy Technology Data Exchange (ETDEWEB)
Steefel, Carl; Rutqvist, Jonny; Tsang, Chin-Fu; Liu, Hui-Hai; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens
2010-08-31
Geological repositories for disposal of high-level nuclear wastes generally rely on a multi-barrier system to isolate radioactive wastes from the biosphere. The multi-barrier system typically consists of a natural barrier system, including repository host rock and its surrounding subsurface environment, and an engineering barrier system (EBS). EBS represents the man-made, engineered materials placed within a repository, including the waste form, waste canisters, buffer materials, backfill and seals (OECD, 2003). EBS plays a significant role in the containment and long-term retardation of radionuclide release. EBS is involved in complex thermal, hydrogeological, mechanical, chemical and biological processes, such as heat release due to radionuclide decay, multiphase flow (including gas release due to canister corrosion), swelling of buffer materials, radionuclide diffusive transport, waste dissolution and chemical reactions. All these processes are related to each other. An in-depth understanding of these coupled processes is critical for the performance assessment (PA) for EBS and the entire repository. Within the EBS group of Used Fuel Disposition (UFD) Campaign, LBNL is currently focused on (1) thermal-hydraulic-mechanical-chemical (THMC) processes in buffer materials (bentonite) and (2) diffusive transport in EBS associated with clay host rock, with a long-term goal to develop a full understanding of (and needed modeling capabilities to simulate) impacts of coupled processes on radionuclide transport in different components of EBS, as well as the interaction between near-field host rock (e.g., clay) and EBS and how they effect radionuclide release. This final report documents the progress that LBNL has made in its focus areas. Specifically, Section 2 summarizes progress on literature review for THMC processes and reactive-diffusive radionuclide transport in bentonite. The literature review provides a picture of the state-of-the-art of the relevant research areas
Zhang, Ya-Jing; Zhang, Lian-Lian; Jiang, Cui; Gong, Wei-Jiang
2018-02-01
We theoretically investigate the electronic transport through a parallel-coupled multi-quantum-dot system, in which the terminal dots of a one-dimensional quantum-dot chain are embodied in the two arms of an Aharonov-Bohm interferometer. It is found that in the structures of odd(even) dots, all their even(odd) molecular states have opportunities to decouple from the leads, and in this process antiresonance occurs which are accordant with the odd(even)-numbered eigenenergies of the sub-molecule without terminal dots. Next when Majorana zero modes are introduced to couple laterally to the terminal dots, the antiresonance and decoupling phenomena still co-exist in the quantum transport process. Such a result can be helpful in understanding the special influence of Majorana zero mode on the electronic transport through quantum-dot systems.
Membrane topology of rat sodium-coupled neutral amino acid transporter 2 (SNAT2).
Ge, Yudan; Gu, Yanting; Wang, Jiahong; Zhang, Zhou
2018-07-01
Sodium-coupled neutral amino acid transporter 2 (SNAT2) is a subtype of the amino acid transport system A that is widely expressed in mammalian tissues. It plays critical roles in glutamic acid-glutamine circulation, liver gluconeogenesis and other biological pathway. However, the topology of the SNAT2 amino acid transporter is unknown. Here we identified the topological structure of SNAT2 using bioinformatics analysis, Methoxy-polyethylene glycol maleimide (mPEG-Mal) chemical modification, protease cleavage assays, immunofluorescence and examination of glycosylation. Our results show that SNAT2 contains 11 transmembrane domains (TMDs) with an intracellular N terminus and an extracellular C terminus. Three N-glycosylation sites were verified at the largest extracellular loop. This model is consistent with the previous model of SNAT2 with the exception of a difference in number of glycosylation sites. This is the first time to confirm the SNAT2 membrane topology using experimental methods. Our study on SNAT2 topology provides valuable structural information of one of the solute carrier family 38 (SLC38) members. Copyright © 2018 Elsevier B.V. All rights reserved.
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.
Self-Adjoint Angular Flux Equation for Coupled Electron-Photon Transport
International Nuclear Information System (INIS)
Liscum-Powell, J.L.; Lorence, L.J. Jr.; Morel, J.E.; Prinja, A.K.
1999-01-01
Recently, Morel and McGhee described an alternate second-order form of the transport equation called the self adjoint angular flux (SAAF) equation that has the angular flux as its unknown. The SAAF formulation has all the advantages of the traditional even- and odd-parity self-adjoint equations, with the added advantages that it yields the full angular flux when it is numerically solved, it is significantly easier to implement reflective and reflective-like boundary conditions, and in the appropriate form it can be solved in void regions. The SAAF equation has the disadvantage that the angular domain is the full unit sphere and, like the even- and odd- parity form, S n source iteration cannot be implemented using the standard sweeping algorithm. Also, problems arise in pure scattering media. Morel and McGhee demonstrated the efficacy of the SAAF formulation for neutral particle transport. Here we apply the SAAF formulation to coupled electron-photon transport problems using multigroup cross-sections from the CEPXS code and S n discretization
Self-adjoint angular flux equation for coupled electron-photon transport
International Nuclear Information System (INIS)
Liscum-Powell, J.L.; Prinja, A.K.; Morel, J.E.; Lorence, L.J. Jr.
1999-01-01
Recently, Morel and McGhee described an alternate second-order form of the transport equation called the self-adjoint angular flux (SAAF) equation that has the angular flux as its unknown. The SAAF formulation has all the advantages of the traditional even- and odd-parity self-adjoint equations, with the added advantages that it yields the full angular flux when it is numerically solved, it is significantly easier to implement reflective and reflective-like boundary conditions, and in the appropriate form it can be solved in void regions. The SAAF equation has the disadvantage that the angular domain is the full unit sphere, and, like the even- and odd-parity form, S n source iteration cannot be implemented using the standard sweeping algorithm. Also, problems arise in pure scattering media. Morel and McGhee demonstrated the efficacy of the SAAF formulation for neutral particle transport. Here, the authors apply the SAAF formulation to coupled electron-photon transport problems using multigroup cross sections from the CEPXS code and S n discretization
Lin, Y.; Wang, X.; Fok, M. C. H.; Buzulukova, N.; Perez, J. D.; Chen, L. J.
2017-12-01
The interaction between the Earth's inner and outer magnetospheric regions associated with the tail fast flows is calculated by coupling the Auburn 3-D global hybrid simulation code (ANGIE3D) to the Comprehensive Inner Magnetosphere/Ionosphere (CIMI) model. The global hybrid code solves fully kinetic equations governing the ions and a fluid model for electrons in the self-consistent electromagnetic field of the dayside and night side outer magnetosphere. In the integrated computation model, the hybrid simulation provides the CIMI model with field data in the CIMI 3-D domain and particle data at its boundary, and the transport in the inner magnetosphere is calculated by the CIMI model. By joining the two existing codes, effects of the solar wind on particle transport through the outer magnetosphere into the inner magnetosphere are investigated. Our simulation shows that fast flows and flux ropes are localized transients in the magnetotail plasma sheet and their overall structures have a dawn-dusk asymmetry. Strong perpendicular ion heating is found at the fast flow braking, which affects the earthward transport of entropy-depleted bubbles. We report on the impacts from the temperature anisotropy and non-Maxwellian ion distributions associated with the fast flows on the ring current and the convection electric field.
Direct-coupled-ray method for design-oriented three-dimensional transport analysis
International Nuclear Information System (INIS)
Bucholz, J.A.; Poncelet, C.G.
1977-01-01
A fast three-dimensional design-oriented transport method has been developed for the solution of both neutron and gamma transport problems. It combines a nodal approach with analytic integral transport to achieve relative speed and accuracy. An analytic solution is obtained for the angular flux in each of the 14 directions defined by the six faces and eight corners of a cubic mesh block. The scheme used to accommodate high-order anisotropic scattering is based on the formulation of ray-to-ray scattering probabilities in an integral sense. A variable mesh approximation has also been introduced to provide greater flexibility. The details of a direct-coupled-ray (DCR) → P 1 conversion technique have been developed but not yet implemented. The DCR method, as implemented in the TRANS3 code, has been used in a number of liquid-metal fast breeder reactor shielding applications. These included a one-dimensional deep penetration configuration and one-, two-, and three dimensional representations of the lower axial shield of the Clinch River Breeder Reactor. Comparisons with ANISN and DOT-III solutions indicated good to excellent agreement in most situations
International Nuclear Information System (INIS)
Andersson, Martin; Yuan, Jinliang; Sunden, Bengt
2010-01-01
A literature study is performed to compile the state-of-the-art, as well as future potential, in SOFC modeling. Principles behind various transport processes such as mass, heat, momentum and charge as well as for electrochemical and internal reforming reactions are described. A deeper investigation is made to find out potentials and challenges using a multiscale approach to model solid oxide fuel cells (SOFCs) and combine the accuracy at microscale with the calculation speed at macroscale to design SOFCs, based on a clear understanding of transport phenomena, chemical reactions and functional requirements. Suitable methods are studied to model SOFCs covering various length scales. Coupling methods between different approaches and length scales by multiscale models are outlined. Multiscale modeling increases the understanding for detailed transport phenomena, and can be used to make a correct decision on the specific design and control of operating conditions. It is expected that the development and production costs will be decreased and the energy efficiency be increased (reducing running cost) as the understanding of complex physical phenomena increases. It is concluded that the connection between numerical modeling and experiments is too rare and also that material parameters in most cases are valid only for standard materials and not for the actual SOFC component microstructures.
The origins of macroscopic quantum coherence in high temperature superconductivity
International Nuclear Information System (INIS)
Turner, Philip; Nottale, Laurent
2015-01-01
Highlights: • We propose a new theoretical approach to superconductivity in p-type cuprates. • Electron pairing mechanisms in the superconducting and pseudogap phases are proposed. • A scale free network of dopants is key to macroscopic quantum coherence. - Abstract: A new, theoretical approach to macroscopic quantum coherence and superconductivity in the p-type (hole doped) cuprates is proposed. The theory includes mechanisms to account for e-pair coupling in the superconducting and pseudogap phases and their inter relations observed in these materials. Electron pair coupling in the superconducting phase is facilitated by local quantum potentials created by static dopants in a mechanism which explains experimentally observed optimal doping levels and the associated peak in critical temperature. By contrast, evidence suggests that electrons contributing to the pseudogap are predominantly coupled by fractal spin waves (fractons) induced by the fractal arrangement of dopants. On another level, the theory offers new insights into the emergence of a macroscopic quantum potential generated by a fractal distribution of dopants. This, in turn, leads to the emergence of coherent, macroscopic spin waves and a second associated macroscopic quantum potential, possibly supported by charge order. These quantum potentials play two key roles. The first involves the transition of an expected diffusive process (normally associated with Anderson localization) in fractal networks, into e-pair coherence. The second involves the facilitation of tunnelling between localized e-pairs. These combined effects lead to the merger of the super conducting and pseudo gap phases into a single coherent condensate at optimal doping. The underlying theory relating to the diffusion to quantum transition is supported by Coherent Random Lasing, which can be explained using an analogous approach. As a final step, an experimental program is outlined to validate the theory and suggests a new
Development of CO2 inversion system based on the adjoint of the global coupled transport model
Belikov, Dmitry; Maksyutov, Shamil; Chevallier, Frederic; Kaminski, Thomas; Ganshin, Alexander; Blessing, Simon
2014-05-01
We present the development of an inverse modeling system employing an adjoint of the global coupled transport model consisting of the National Institute for Environmental Studies (NIES) Eulerian transport model (TM) and the Lagrangian plume diffusion model (LPDM) FLEXPART. NIES TM is a three-dimensional atmospheric transport model, which solves the continuity equation for a number of atmospheric tracers on a grid spanning the entire globe. Spatial discretization is based on a reduced latitude-longitude grid and a hybrid sigma-isentropic coordinate in the vertical. NIES TM uses a horizontal resolution of 2.5°×2.5°. However, to resolve synoptic-scale tracer distributions and to have the ability to optimize fluxes at resolutions of 0.5° and higher we coupled NIES TM with the Lagrangian model FLEXPART. The Lagrangian component of the forward and adjoint models uses precalculated responses of the observed concentration to the surface fluxes and 3-D concentrations field simulated with the FLEXPART model. NIES TM and FLEXPART are driven by JRA-25/JCDAS reanalysis dataset. Construction of the adjoint of the Lagrangian part is less complicated, as LPDMs calculate the sensitivity of measurements to the surrounding emissions field by tracking a large number of "particles" backwards in time. Developing of the adjoint to Eulerian part was performed with automatic differentiation tool the Transformation of Algorithms in Fortran (TAF) software (http://www.FastOpt.com). This method leads to the discrete adjoint of NIES TM. The main advantage of the discrete adjoint is that the resulting gradients of the numerical cost function are exact, even for nonlinear algorithms. The overall advantages of our method are that: 1. No code modification of Lagrangian model is required, making it applicable to combination of global NIES TM and any Lagrangian model; 2. Once run, the Lagrangian output can be applied to any chemically neutral gas; 3. High-resolution results can be obtained over
Shultz, Christopher D.; Bailey, Ryan T.; Gates, Timothy K.; Heesemann, Brent E.; Morway, Eric D.
2018-01-01
Elevated levels of selenium (Se) in aqueous environments can harm aquatic life and endanger livestock and human health. Although Se occurs naturally in the rocks and soils of many alluvial aquifers, mining and agricultural activities can increase its rate of mobilization and transport to surface waters. Attention is given here to regions where nonpoint source return flows from irrigated lands carry pollutant loads to aquifers and streams, contributing to concentrations that violate regulatory and performance standards. Of particular concern is the heightened level and mobilization of Se influenced by nitrate (NO3), a harmful pollutant in its own right. We present a numerical model that simulates the reactive transport of Se and nitrogen (N) species in a coupled groundwater-surface water system. Building upon a conceptual model that incorporates the major processes affecting Se and NO3 transport in an irrigated watershed, the model links the finite-difference models MODFLOW, UZF-RT3D, and OTIS, to simulate flow and reactive transport of multiple chemical species in both the aquifer and a stream network, with mass exchange between the two. The capability of the new model is showcased by calibration, testing, and application to a 500 km2 region in Colorado’s Lower Arkansas River Valley using a rich data set gathered over a 10-yr period. Simulation of spatial and temporal distributions of Se concentration reveals conditions that exceed standards in groundwater for approximately 20% of the area. For the Arkansas River, standards are exceeded by 290%–450%. Simulation indicates that river concentrations of NO3 alone are near the current interim standard for the total of all dissolved N species. These results indicate the need for future use of the developed model to investigate the prospects for land and water best management practices to decrease pollutant levels.
Shultz, Christopher D.; Bailey, Ryan T.; Gates, Timothy K.; Heesemann, Brent E.; Morway, Eric D.
2018-05-01
Elevated levels of selenium (Se) in aqueous environments can harm aquatic life and endanger livestock and human health. Although Se occurs naturally in the rocks and soils of many alluvial aquifers, mining and agricultural activities can increase its rate of mobilization and transport to surface waters. Attention is given here to regions where nonpoint source return flows from irrigated lands carry pollutant loads to aquifers and streams, contributing to concentrations that violate regulatory and performance standards. Of particular concern is the heightened level and mobilization of Se influenced by nitrate (NO3), a harmful pollutant in its own right. We present a numerical model that simulates the reactive transport of Se and nitrogen (N) species in a coupled groundwater-surface water system. Building upon a conceptual model that incorporates the major processes affecting Se and NO3 transport in an irrigated watershed, the model links the finite-difference models MODFLOW, UZF-RT3D, and OTIS, to simulate flow and reactive transport of multiple chemical species in both the aquifer and a stream network, with mass exchange between the two. The capability of the new model is showcased by calibration, testing, and application to a 500 km2 region in Colorado's Lower Arkansas River Valley using a rich data set gathered over a 10-yr period. Simulation of spatial and temporal distributions of Se concentration reveals conditions that exceed standards in groundwater for approximately 20% of the area. For the Arkansas River, standards are exceeded by 290%-450%. Simulation indicates that river concentrations of NO3 alone are near the current interim standard for the total of all dissolved N species. These results indicate the need for future use of the developed model to investigate the prospects for land and water best management practices to decrease pollutant levels.
Microscopic and macroscopic models for the onset and progression of Alzheimer's disease
International Nuclear Information System (INIS)
Bertsch, Michiel; Franchi, Bruno; Tesi, Maria Carla; Tosin, Andrea
2017-01-01
In the first part of this paper we review a mathematical model for the onset and progression of Alzheimer’s disease (AD) that was developed in subsequent steps over several years. The model is meant to describe the evolution of AD in vivo . In Achdou et al (2013 J. Math. Biol . 67 1369–92) we treated the problem at a microscopic scale, where the typical length scale is a multiple of the size of the soma of a single neuron. Subsequently, in Bertsch et al (2017 Math. Med. Biol . 34 193–214) we concentrated on the macroscopic scale, where brain neurons are regarded as a continuous medium, structured by their degree of malfunctioning. In the second part of the paper we consider the relation between the microscopic and the macroscopic models. In particular we show under which assumptions the kinetic transport equation, which in the macroscopic model governs the evolution of the probability measure for the degree of malfunctioning of neurons, can be derived from a particle-based setting. The models are based on aggregation and diffusion equations for β -Amyloid (A β from now on), a protein fragment that healthy brains regularly produce and eliminate. In case of dementia A β monomers are no longer properly washed out and begin to coalesce forming eventually plaques. Two different mechanisms are assumed to be relevant for the temporal evolution of the disease: (i) diffusion and agglomeration of soluble polymers of amyloid, produced by damaged neurons; (ii) neuron-to-neuron prion-like transmission. In the microscopic model we consider mechanism (i), modelling it by a system of Smoluchowski equations for the amyloid concentration (describing the agglomeration phenomenon), with the addition of a diffusion term as well as of a source term on the neuronal membrane. At the macroscopic level instead we model processes (i) and (ii) by a system of Smoluchowski equations for the amyloid concentration, coupled to a kinetic-type transport equation for the distribution
Microscopic and macroscopic models for the onset and progression of Alzheimer's disease
Bertsch, Michiel; Franchi, Bruno; Carla Tesi, Maria; Tosin, Andrea
2017-10-01
In the first part of this paper we review a mathematical model for the onset and progression of Alzheimer’s disease (AD) that was developed in subsequent steps over several years. The model is meant to describe the evolution of AD in vivo. In Achdou et al (2013 J. Math. Biol. 67 1369-92) we treated the problem at a microscopic scale, where the typical length scale is a multiple of the size of the soma of a single neuron. Subsequently, in Bertsch et al (2017 Math. Med. Biol. 34 193-214) we concentrated on the macroscopic scale, where brain neurons are regarded as a continuous medium, structured by their degree of malfunctioning. In the second part of the paper we consider the relation between the microscopic and the macroscopic models. In particular we show under which assumptions the kinetic transport equation, which in the macroscopic model governs the evolution of the probability measure for the degree of malfunctioning of neurons, can be derived from a particle-based setting. The models are based on aggregation and diffusion equations for β-Amyloid (Aβ from now on), a protein fragment that healthy brains regularly produce and eliminate. In case of dementia Aβ monomers are no longer properly washed out and begin to coalesce forming eventually plaques. Two different mechanisms are assumed to be relevant for the temporal evolution of the disease: (i) diffusion and agglomeration of soluble polymers of amyloid, produced by damaged neurons; (ii) neuron-to-neuron prion-like transmission. In the microscopic model we consider mechanism (i), modelling it by a system of Smoluchowski equations for the amyloid concentration (describing the agglomeration phenomenon), with the addition of a diffusion term as well as of a source term on the neuronal membrane. At the macroscopic level instead we model processes (i) and (ii) by a system of Smoluchowski equations for the amyloid concentration, coupled to a kinetic-type transport equation for the distribution function of the
Stošić, Dušan; Auroux, Aline
Basic principles of calorimetry coupled with other techniques are introduced. These methods are used in heterogeneous catalysis for characterization of acidic, basic and red-ox properties of solid catalysts. Estimation of these features is achieved by monitoring the interaction of various probe molecules with the surface of such materials. Overview of gas phase, as well as liquid phase techniques is given. Special attention is devoted to coupled calorimetry-volumetry method. Furthermore, the influence of different experimental parameters on the results of these techniques is discussed, since it is known that they can significantly influence the evaluation of catalytic properties of investigated materials.
Fischer, Jana; Kleinau, Gunnar; Rutz, Claudia; Zwanziger, Denise; Khajavi, Noushafarin; Müller, Anne; Rehders, Maren; Brix, Klaudia; Worth, Catherine L; Führer, Dagmar; Krude, Heiko; Wiesner, Burkhard; Schülein, Ralf; Biebermann, Heike
2018-06-01
G-protein-coupled receptors (GPCRs) can constitute complexes with non-GPCR integral membrane proteins, while such interaction has not been demonstrated at a single molecule level so far. We here investigated the potential interaction between the thyrotropin receptor (TSHR) and the monocarboxylate transporter 8 (MCT8), a member of the major facilitator superfamily (MFS), using fluorescence cross-correlation spectroscopy (FCCS). Both the proteins are expressed endogenously on the basolateral plasma membrane of the thyrocytes and are involved in stimulation of thyroid hormone production and release. Indeed, we demonstrate strong interaction between both the proteins which causes a suppressed activation of G q/11 by TSH-stimulated TSHR. Thus, we provide not only evidence for a novel interaction between the TSHR and MCT8, but could also prove this interaction on a single molecule level. Moreover, this interaction forces biased signaling at the TSHR. These results are of general interest for both the GPCR and the MFS research fields.
A coupled model of transport-reaction-mechanics with trapping. Part I - Small strain analysis
Salvadori, A.; McMeeking, R.; Grazioli, D.; Magri, M.
2018-05-01
A fully coupled model for mass and heat transport, mechanics, and chemical reactions with trapping is proposed. It is rooted in non-equilibrium rational thermodynamics and assumes that displacements and strains are small. Balance laws for mass, linear and angular momentum, energy, and entropy are stated. Thermodynamic restrictions are identified, based on an additive strain decomposition and on the definition of the Helmholtz free energy. Constitutive theory and chemical kinetics are studied in order to finally write the governing equations for the multi-physics problem. The field equations are solved numerically with the finite element method, stemming from a three-fields variational formulation. Three case-studies on vacancies redistribution in metals, hydrogen embrittlement, and the charge-discharge of active particles in Li-ion batteries demonstrate the features and the potential of the proposed model.
Transport Through a Precessing Spin Coupled to Noncollinearly Polarized Ferromagnetic Leads
International Nuclear Information System (INIS)
Wang Xianchao; Xin Zihua; Feng Liya
2010-01-01
The quantum electronic transport through a precessing magnetic spin coupled to noncollinearly polarized ferromagnetic leads (F-MS-F) has been studied in this paper. The nonequilibrium Green function approach is used to calculate local density of states (LDOS) and current in the presence of external bias. The characters of LDOS and the electronic current are obtained. The tunneling current is investigated for different precessing angle and different configurations of the magnetization of the leads. The investigation reveals that when the precessing angle takes θ < π/2 and negative bias is applied, the resonant tunneling current appears, otherwise, it appears when positive bias is applied. When the leads are totally polarized and the precessing angel takes 0, the tunneling current changes with the configuration of two leads; and it becomes zero when the two leads are antiparallel. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Coupled force-balance and particle-occupation rate equations for high-field electron transport
International Nuclear Information System (INIS)
Lei, X. L.
2008-01-01
It is pointed out that in the framework of balance-equation approach, the coupled force-balance and particle-occupation rate equations can be used as a complete set of equations to determine the high-field transport of semiconductors in both strong and weak electron-electron interaction limits. We call to attention that the occupation rate equation conserves the total particle number and maintains the energy balance of the relative electron system, and there is no need to introduce any other term in it. The addition of an energy-drift term in the particle-occupation rate equation [Phys. Rev. B 71, 195205 (2005)] is physically inadequate for the violation of the total particle-number conservation and the energy balance. It may lead to a substantial unphysical increase of the total particle number by the application of a dc electric field
Macroscopic Floquet topological crystalline steel and superconductor pump
Rossi, Anna M. E. B.; Bugase, Jonas; Fischer, Thomas M.
2017-08-01
The transport of a macroscopic steel sphere and a superconducting sphere on top of two-dimensional periodic magnetic patterns is studied experimentally and compared with the theory and with experiments on topological transport of magnetic colloids. Transport of the steel and superconducting sphere is achieved by moving an external permanent magnet on a closed loop around the two-dimensional crystal. The transport is topological, i.e., the spheres are transported by a primitive unit vector of the lattice when the external magnet loop winds around specific directions. We experimentally determine the set of directions the loops must enclose for nontrivial transport of the spheres into various directions. We show that the loops can be used to sort steel and superconducting spheres. We show that the topological transport is robust with respect to the scale of the system and therefore speculate on its down scalability to the molecular scale.
Spin-orbit coupling effects, interactions and superconducting transport in nanostructures
Energy Technology Data Exchange (ETDEWEB)
Schulz, Andreas
2010-05-15
the RKKY Hamiltonian on both RSOC and interaction strength and an anisotropic range function. In the second part of this thesis we focus on the study of superconducting transport in a quantum dot Josephson junctions coupled to a two-level system, which serves as a simple model for a conformational degree of freedom of a molecular dot or a break junction. We first address the limit of weak coupling to the leads and calculate the critical current through the junction perturbatively to lowest nonvanishing order in the tunneling couplings, allowing for arbitrary charging energy U and TLS parameters. We show that the critical current can change by orders of magnitude due to the two-level system. In particular, the {pi}-junction behavior, generally present for strong interactions, can be completely suppressed. We also study the influence of the Josephson current on the state of the TLS in the regime of weak charging energy. Within a wide range of parameters, our calculations predict that the TLS is quite sensitive to a variation of the phase difference {phi} across the junction. Conformational changes, up to a a complete reversal, can be induced by varying {phi}. This allows for the dissipationless control (including switching) of the TLS. (orig.)
Spin-orbit coupling effects, interactions and superconducting transport in nanostructures
International Nuclear Information System (INIS)
Schulz, Andreas
2010-05-01
the RKKY Hamiltonian on both RSOC and interaction strength and an anisotropic range function. In the second part of this thesis we focus on the study of superconducting transport in a quantum dot Josephson junctions coupled to a two-level system, which serves as a simple model for a conformational degree of freedom of a molecular dot or a break junction. We first address the limit of weak coupling to the leads and calculate the critical current through the junction perturbatively to lowest nonvanishing order in the tunneling couplings, allowing for arbitrary charging energy U and TLS parameters. We show that the critical current can change by orders of magnitude due to the two-level system. In particular, the π-junction behavior, generally present for strong interactions, can be completely suppressed. We also study the influence of the Josephson current on the state of the TLS in the regime of weak charging energy. Within a wide range of parameters, our calculations predict that the TLS is quite sensitive to a variation of the phase difference φ across the junction. Conformational changes, up to a a complete reversal, can be induced by varying φ. This allows for the dissipationless control (including switching) of the TLS. (orig.)
Coupling fine particle and bedload transport in gravel-bedded streams
Park, Jungsu; Hunt, James R.
2017-09-01
Fine particles in the silt- and clay-size range are important determinants of surface water quality. Since fine particle loading rates are not unique functions of stream discharge this limits the utility of the available models for water quality assessment. Data from 38 minimally developed watersheds within the United States Geological Survey stream gauging network in California, USA reveal three lines of evidence that fine particle release is coupled with bedload transport. First, there is a transition in fine particle loading rate as a function of discharge for gravel-bedded sediments that does not appear when the sediment bed is composed of sand, cobbles, boulders, or bedrock. Second, the discharge at the transition in the loading rate is correlated with the initiation of gravel mobilization. Third, high frequency particle concentration and discharge data are dominated by clockwise hysteresis where rising limb discharges generally have higher concentrations than falling limb discharges. These three observations across multiple watersheds lead to a conceptual model that fine particles accumulate within the sediment bed at discharges less than the transition and then the gravel bed fluidizes with fine particle release at discharges above the transition discharge. While these observations were individually recognized in the literature, this analysis provides a consistent conceptual model based on the coupling of fine particle dynamics with filtration at low discharges and gravel bed fluidization at higher discharges.
Coupling Solute and Fine Particle Transport with Sand Bed Morphodynamics within a Field Experiment
Phillips, C. B.; Ortiz, C. P.; Schumer, R.; Jerolmack, D. J.; Packman, A. I.
2017-12-01
Fine suspended particles are typically considered to pass through streams and rivers as wash load without interacting with the bed, however experiments have demonstrated that hyporheic flow causes advective exchange of fine particles with the stream bed, yielding accumulation of fine particle deposits within the bed. Ultimately, understanding river morphodynamics and ecosystem dynamics requires coupling both fine particle and solute transport with bed morphodynamics. To better understand the coupling between these processes we analyze a novel dataset from a controlled field experiment conducted on Clear Run, a 2nd order sand bed stream located within the North Carolina coastal plain. Data include concentrations of continuously injected conservative solutes and fine particulate tracers measured at various depths within the stream bed, overhead time lapse images of bed forms, stream discharge, and geomorphological surveys of the stream. We use image analysis of bed morphodynamics to assess exchange, retention, and remobilization of solutes and fine particles during constant discharge and a short duration experimental flood. From the images, we extract a time series of bedform elevations and scour depths for the duration of the experiment. The high-resolution timeseries of bed elevation enables us to assess coupling of bed morphodynamics with both the solute and fine particle flux during steady state mobile bedforms prior to the flood and to changing bedforms during the flood. These data allow the application of a stochastic modeling framework relating bed elevation fluctuations to fine particle residence times. This combined experimental and modeling approach ultimately informs our ability to predict not only the fate of fine particulate matter but also associated nutrient and carbon dynamics within streams and rivers.
International Nuclear Information System (INIS)
Jarsjoe, Jerker; Destouni, Georgia; Persson, Klas; Prieto, Carmen
2007-12-01
diffuse and occurring through SGD, small transient streams and/or coastal wetlands. Regarding transport quantifications, hydrogeochemical characteristics and pollution source loads may generally differ between larger, monitored catchments and smaller unmonitored coastal catchments. Since national hydrological monitoring data systematically exclude smaller, coastal catchments, they may not be representative for conditions in Forsmark (or Laxemar-Simpevarp). This emphasises the importance of extending in time the recently started hydrological and hydrogeochemical data series in the Forsmark and Laxemar-Simpevarp coastal catchment areas, since they are in effect unmonitored from a hydrological viewpoint, due to the lack of extended discharge time series. In the performed initial demonstration analysis of solute transport pathways from deep groundwater to recipients at the surface, we considered the main scenarios: (I) transport in the Quaternary deposits-bedrock interface zone only, and (II) transport in the coupled groundwater-surface water system. Considering mean travel times from each model cell to the coast, and disregarding travel times in the deep bedrock domain itself (which may be added to the here presented values), results show that travel times in scenario (II) were less than 4 years in 90% of the considered model area. Travel times were longer in scenario (I) with values higher than 10 years in 40% of the catchment area. These results are based on the assumption that the pathways do not go through zones of near-stagnant groundwater. If they would do so (and the above assumption is violated), results show that travel times can be considerably longer, for instance exceeding 400 years in half of the model area in scenario (I). Considering possible solute attenuation (caused by e.g. biogeochemical reactions or decay) along the hydrological transport pathways to inland surface waters and to the coast, we estimate solute mass delivery factors, representing the
Pseudo-Goldstone bosons and new macroscopic forces
International Nuclear Information System (INIS)
Hill, C.T.; Ross, G.G.
1988-01-01
Pseudoscalar Goldstone bosons may readily be associated with weakly, explicitly broken symmetries giving them mixed CP quantum numbers. In general this leads to scalar couplings to nucleons and leptons, which produces coherent long range forces. This can naturally accommodate detectable long range macroscopic forces mediated by bosons completely consistent with conventional cosmological limits, e.g., new interactions with the range of present 'fifth force' searches which probe a scale of new physics of f ≅ 10 14 GeV. (orig.)
Coupled plasma-neutral transport model for the scrape-off region
International Nuclear Information System (INIS)
Galambos, J.D.; Peng, Y.K.M.; Heifetz, D.
1985-03-01
Analysis of the scrape-off region requires treatment of the plasma transport along and across the field lines and inclusion of the neutral transport effects. A method for modeling the scrape-off region that is presented here uses separate models for each of these aspects that are coupled together through an iteration procedure that requires only minimal numerical effort. The method is applied here to estimate the neutral pumping rates in the pump-limiter and divertor options for a proposed deuterium-tritium (D-T) ignition experiment. High neutral recycling in the vicinity of the neutralizer plate dramatically affects pumping rates for both the pump-limiter and divertor. In both cases, the plasma flow into the channel surrounding the neutralizer plate is greatly reduced by the neutral recycling. The fraction of this flow that is pumped can be large (> 50%), but in general it is dependent on the particular geometry and plasma conditions. It is estimated that pumping speeds approximately greater than 10 5 L/s are adequate for the exhaust requirements in the pump-limiter and the divertor cases. Also, high neutral recycling on the front surface of the limiter tends to increase the neutral pumping rate
Majorana transport in superconducting nanowire with Rashba and Dresselhaus spin-orbit couplings.
You, Jia-Bin; Shao, Xiao-Qiang; Tong, Qing-Jun; Chan, A H; Oh, C H; Vedral, Vlatko
2015-06-10
The tunneling experiment is a key technique for detecting Majorana fermion (MF) in solid state systems. We use Keldysh non-equilibrium Green function method to study two-lead tunneling in superconducting nanowire with Rashba and Dresselhaus spin-orbit couplings. A zero-bias dc conductance peak appears in our setup which signifies the existence of MF and is in accordance with previous experimental results on InSb nanowire. Interestingly, due to the exotic property of MF, there exists a hole transmission channel which makes the currents asymmetric at the left and right leads. The ac current response mediated by MF is also studied here. To discuss the impacts of Coulomb interaction and disorder on the transport property of Majorana nanowire, we use the renormalization group method to study the phase diagram of the wire. It is found that there is a topological phase transition under the interplay of superconductivity and disorder. We find that the Majorana transport is preserved in the superconducting-dominated topological phase and destroyed in the disorder-dominated non-topological insulator phase.
Majorana transport in superconducting nanowire with Rashba and Dresselhaus spin–orbit couplings
International Nuclear Information System (INIS)
You, Jia-Bin; Shao, Xiao-Qiang; Tong, Qing-Jun; Oh, C H; Vedral, Vlatko; Chan, A H
2015-01-01
The tunneling experiment is a key technique for detecting Majorana fermion (MF) in solid state systems. We use Keldysh non-equilibrium Green function method to study two-lead tunneling in superconducting nanowire with Rashba and Dresselhaus spin–orbit couplings. A zero-bias dc conductance peak appears in our setup which signifies the existence of MF and is in accordance with previous experimental results on InSb nanowire. Interestingly, due to the exotic property of MF, there exists a hole transmission channel which makes the currents asymmetric at the left and right leads. The ac current response mediated by MF is also studied here. To discuss the impacts of Coulomb interaction and disorder on the transport property of Majorana nanowire, we use the renormalization group method to study the phase diagram of the wire. It is found that there is a topological phase transition under the interplay of superconductivity and disorder. We find that the Majorana transport is preserved in the superconducting-dominated topological phase and destroyed in the disorder-dominated non-topological insulator phase. (paper)
Cross-separatrix Coupling in Nonlinear Global Electrostatic Turbulent Transport in C-2U
Lau, Calvin; Fulton, Daniel; Bao, Jian; Lin, Zhihong; Binderbauer, Michl; Tajima, Toshiki; Schmitz, Lothar; TAE Team
2017-10-01
In recent years, the progress of the C-2/C-2U advanced beam-driven field-reversed configuration (FRC) experiments at Tri Alpha Energy, Inc. has pushed FRCs to transport limited regimes. Understanding particle and energy transport is a vital step towards an FRC reactor, and two particle-in-cell microturbulence codes, the Gyrokinetic Toroidal Code (GTC) and A New Code (ANC), are being developed and applied toward this goal. Previous local electrostatic GTC simulations find the core to be robustly stable with drift-wave instability only in the scrape-off layer (SOL) region. However, experimental measurements showed fluctuations in both regions; one possibility is that fluctuations in the core originate from the SOL, suggesting the need for non-local simulations with cross-separatrix coupling. Current global ANC simulations with gyrokinetic ions and adiabatic electrons find that non-local effects (1) modify linear growth-rates and frequencies of instabilities and (2) allow instability to move from the unstable SOL to the linearly stable core. Nonlinear spreading is also seen prior to mode saturation. We also report on the progress of the first turbulence simulations in the SOL. This work is supported by the Norman Rostoker Fellowship.
Coupling between particle and heat transport during power modulation experiments in Tore Supra
International Nuclear Information System (INIS)
Zou, X.L.; Giruzzi, G.; Artaud, J.F.; Bouquey, F.; Bremond, S.; Clary, J.; Darbos, C.; Eury, S.P.; Lennholm, M.; Magne, R.; Segui, J.L.
2004-01-01
Power modulations are a powerful tool often used to investigate heat transport processes in tokamaks. In some situations, this could also be an interesting method for the investigation of the particle transport due to the anomalous pinch. Low frequency (∼ 1 Hz) power modulation experiments, using both electron cyclotron resonance heating (ECRH) and ion cyclotron resonance heating (ICRH), have been performed in the Tore Supra tokamak. Strong coupling has been observed between the temperature and density modulations during the low frequency ECRH and ICRH modulation experiments. It has been shown that mechanisms as outgassing, Ware pinch effect, curvature driven pinch are not likely to be responsible for this density modulation. Because of its dependence on temperature or temperature gradient, the thermodiffusion is a serious candidate to be the driving source for this density modulation. This analysis shows that low frequency power modulation experiments have a great potential for the investigation of the anomalous particle pinch in tokamaks. Future plans will include the use of more precise density profile measurements using X-mode reflectometry
Novel macrocyclic carriers for proton-coupled liquid membrane transport. Final report
Energy Technology Data Exchange (ETDEWEB)
Lamb, J.D.; Izatt, R.M.; Bradshaw, J.S.; Shirts, R.B.
1996-08-24
The objective of this research program is to elucidate the chemical principles which are responsible for the cation selectivity and permeability of liquid membranes containing macrocyclic carriers. Several new macrocyclic carriers were synthesized during the last three year period. In addition, new, more convenient synthetic routes were achieved for several nitrogen-containing bicyclic and tricyclic macrocycles. The cation binding properties of these macrocycles were investigated by potentiometric titration, calorimetric titration, solvent extraction and NMR techniques. In addition, hydrophobic macrocycles were incorporated into dual hollow fiber and other membrane systems to investigate their membrane performance, especially in the proton-coupled transport mode. A study of the effect of methoxyalkyl macrocycle substituents on metal ion transport was completed. A new calorimeter was constructed which made it possible to study the thermodynamics of macrocycle-cation binding to very high temperatures. Measurements of thermodynamic data for the interaction of crown ethers with alkali and alkaline earth cations were achieved to 473 K. Molecular modeling work was begun for the first time on this project and fundamental principles were identified and developed for the establishment of working models in the future.
Coupled transport/reaction model of the properties of bentonite buffer in a repository
International Nuclear Information System (INIS)
Liu, Jinsong; Neretnieks, I.
1996-11-01
Two mechanisms that can affect the long-term properties of the bentonite buffer surrounding the canister in a final repository of spent nuclear fuel are studied. The two mechanisms are the oxidation of reducing minerals in the buffer by radiolytically generated oxidant, and the low-temperature alteration of Na-montmorillonite in the bentonite buffer to illite. A coupled mass transport with geochemical reaction model is used. Four cases have been considered, which differ in the assumptions of whether the radiolytically generated oxidant first oxidizes uraninite in the spent fuel, or it is directly transported to the bentonite to oxidize the pyrite. The cases also differ in the assumptions of varying initial concentrations of pyrite in the bentonite buffer. The modelling results show that, at low temperatures, the sodium montmorillonite in the bentonite buffer is chemically stable with respect to the chemical conditions of the near field. Alteration to illite and thus an increase in hydraulic conductivity and loss of swelling ability is not likely to occur. The radiolytically generated oxidant can possibly oxidize the reducing minerals in the bentonite buffer. A redox front can be generated. In all the cases considered in this study, the modelling results indicate that slightly less than 1% by weight of pyrite in the bentonite buffer will be able to ensure that the redox front does not penetrate through the bentonite buffer within 1 million years. 31 refs
Tavakoli Kivi, S.; Bailey, R. T.; Gates, T. K.
2017-12-01
Salinization is one of the major concerns in irrigated agricultural fields. Increasing salinity concentrations are due principally to a high water table that results from excessive irrigation, canal seepage, and a lack of efficient drainage systems, and lead to decreasing crop yield. High groundwater salinity loading to nearby river systems also impacts downstream areas, with saline river water diverted for application on irrigated fields. To assess the different strategies for salt remediation, we present a reactive transport model (UZF-RT3D) coupled with a salinity equilibrium chemistry module for simulating the fate and transport of salt ions in a variably-saturated agricultural groundwater system. The developed model accounts not for advection, dispersion, nitrogen and sulfur cycling, oxidation-reduction, sorption, complexation, ion exchange, and precipitation/dissolution of salt minerals. The model is applied to a 500 km2 region within the Lower Arkansas River Valley (LARV) in southeastern Colorado, an area acutely affected by salinization in the past few decades. The model is tested against salt ion concentrations in the saturated zone, total dissolved solid concentrations in the unsaturated zone, and salt groundwater loading to the Arkansas River. The model now can be used to investigate salinity remediation strategies.
Coupling between particle and heat transport during power modulation experiments in Tore Supra
Energy Technology Data Exchange (ETDEWEB)
Zou, X.L.; Giruzzi, G.; Artaud, J.F.; Bouquey, F.; Bremond, S.; Clary, J.; Darbos, C.; Eury, S.P.; Lennholm, M.; Magne, R.; Segui, J.L
2004-07-01
Power modulations are a powerful tool often used to investigate heat transport processes in tokamaks. In some situations, this could also be an interesting method for the investigation of the particle transport due to the anomalous pinch. Low frequency ({approx} 1 Hz) power modulation experiments, using both electron cyclotron resonance heating (ECRH) and ion cyclotron resonance heating (ICRH), have been performed in the Tore Supra tokamak. Strong coupling has been observed between the temperature and density modulations during the low frequency ECRH and ICRH modulation experiments. It has been shown that mechanisms as outgassing, Ware pinch effect, curvature driven pinch are not likely to be responsible for this density modulation. Because of its dependence on temperature or temperature gradient, the thermodiffusion is a serious candidate to be the driving source for this density modulation. This analysis shows that low frequency power modulation experiments have a great potential for the investigation of the anomalous particle pinch in tokamaks. Future plans will include the use of more precise density profile measurements using X-mode reflectometry.
Coupled Spatio-Temporal Patterns of Solute Transport, Metabolism and Nutrient Uptake in Streams
Kurz, M. J.; Schmidt, C.
2017-12-01
Slower flow velocities and longer residence times within stream transient storage (TS) zones facilitate interaction between solutes and microbial communities, potentially increasing local rates of metabolic activity. Multiple factors, including channel morphology and substrate, variable hydrology, and seasonal changes in biological and physical parameters, result in changes in the solute transport dynamics and reactivity of TS zones over time and space. These changes would be expected to, in turn, influence rates of whole-stream ecosystem functions such as metabolism and nutrient uptake. However, the linkages between solute transport and ecosystem functioning within TS zones, and the contribution of TS zones to whole-stream functioning, are not always so straight forward. This may be due, in part, to methodological challenges. In this study we investigated the influence of stream channel hydro-morphology and substrate type on reach (103 m) and sub-reach (102 m) scale TS and ecosystem functioning. Patterns in solute transport, metabolism and nitrate uptake were tracked from April through October in two contrasting upland streams using several methods. The two streams, located in the Harz Mountains, Germany, are characterized by differing size (0.02 vs. 0.3 m3/s), dominant stream channel substrate (bedrock vs. alluvium) and sub-reach morphology (predominance of pools, riffles and glides). Solute transport parameters and respiration rates at the reach and sub-reach scale were estimated monthly from coupled pulse injections of the reactive tracer resazurin (Raz) and conservative tracers uranine and salt. Raz, a weakly fluorescent dye, irreversibly transforms to resorufin (Rru) under mildly reducing conditions, providing a proxy for aerobic respiration. Daily rates of primary productivity, respiration and nitrate retention at the reach scale were estimated using the diel cycles in dissolved oxygen and nitrate concentrations measured by in-situ sensors. Preliminary
Seismic scanning tunneling macroscope - Theory
Schuster, Gerard T.
2012-09-01
We propose a seismic scanning tunneling macroscope (SSTM) that can detect the presence of sub-wavelength scatterers in the near-field of either the source or the receivers. Analytic formulas for the time reverse mirror (TRM) profile associated with a single scatterer model show that the spatial resolution limit to be, unlike the Abbe limit of λ/2, independent of wavelength and linearly proportional to the source-scatterer separation as long as the point scatterer is in the near-field region; if the sub-wavelength scatterer is a spherical impedance discontinuity then the resolution will also be limited by the radius of the sphere. Therefore, superresolution imaging can be achieved as the scatterer approaches the source. This is analogous to an optical scanning tunneling microscope that has sub-wavelength resolution. Scaled to seismic frequencies, it is theoretically possible to extract 100 Hz information from 20 Hz data by imaging of near-field seismic energy.
Seismic scanning tunneling macroscope - Theory
Schuster, Gerard T.; Hanafy, Sherif M.; Huang, Yunsong
2012-01-01
We propose a seismic scanning tunneling macroscope (SSTM) that can detect the presence of sub-wavelength scatterers in the near-field of either the source or the receivers. Analytic formulas for the time reverse mirror (TRM) profile associated with a single scatterer model show that the spatial resolution limit to be, unlike the Abbe limit of λ/2, independent of wavelength and linearly proportional to the source-scatterer separation as long as the point scatterer is in the near-field region; if the sub-wavelength scatterer is a spherical impedance discontinuity then the resolution will also be limited by the radius of the sphere. Therefore, superresolution imaging can be achieved as the scatterer approaches the source. This is analogous to an optical scanning tunneling microscope that has sub-wavelength resolution. Scaled to seismic frequencies, it is theoretically possible to extract 100 Hz information from 20 Hz data by imaging of near-field seismic energy.
Coupled Transport/Reaction Modelling of Copper Canister Corrosion Aided by Microbial Processes
Energy Technology Data Exchange (ETDEWEB)
Jinsong Liu [Royal Institute of Technology, Stockholm (Sweden). Dept. of Chemical Engineering and Technology
2006-04-15
Copper canister corrosion is an important issue in the concept of a nuclear fuel repository. Previous studies indicate that the oxygen-free copper canister could hold its integrity for more than 100,000 years in the repository environment. Microbial processes may reduce sulphate to sulphide and considerably increase the amount of sulphides available for corrosion. In this paper, a coupled transport/reaction model is developed to account for the transport of chemical species produced by microbial processes. The corroding agents like sulphide would come not only from the groundwater flowing in a fracture that intersects the canister, but also from the reduction of sulphate near the canister. The reaction of sulphate-reducing bacteria and the transport of sulphide in the bentonite buffer are included in the model. The depth of copper canister corrosion is calculated by the model. With representative 'central values' of the concentrations of sulphate and methane at repository depth at different sites in Fennoscandian Shield the corrosion depth predicted by the model is a few millimetres during 10{sup 5} years. As the concentrations of sulphate and methane are extremely site-specific and future climate changes may significantly influence the groundwater compositions at potential repository sites, sensitivity analyses have been conducted. With a broad perspective of the measured concentrations at different sites in Sweden and in Finland, and some possible mechanisms (like the glacial meltwater intrusion and interglacial seawater intrusion) that may introduce more sulphate into the groundwater at intermediate depths during future climate changes, higher concentrations of either/both sulphate and methane than what is used as the representative 'central' values would be possible. In worst cases. locally, half of the canister thickness could possibly be corroded within 10{sup 5} years.
Coupled Transport/Reaction Modelling of Copper Canister Corrosion Aided by Microbial Processes
Energy Technology Data Exchange (ETDEWEB)
Liu, Jinsong [Royal Institute of Technology, Stockholm (Sweden). Dept. of Chemical Engineering and Technology
2006-04-15
Copper canister corrosion is an important issue in the concept of a nuclear fuel repository. Previous studies indicate that the oxygen-free copper canister could hold its integrity for more than 100,000 years in the repository environment. Microbial processes may reduce sulphate to sulphide and considerably increase the amount of sulphides available for corrosion. In this paper, a coupled transport/reaction model is developed to account for the transport of chemical species produced by microbial processes. The corroding agents like sulphide would come not only from the groundwater flowing in a fracture that intersects the canister, but also from the reduction of sulphate near the canister. The reaction of sulphate-reducing bacteria and the transport of sulphide in the bentonite buffer are included in the model. The depth of copper canister corrosion is calculated by the model. With representative 'central values' of the concentrations of sulphate and methane at repository depth at different sites in Fennoscandian Shield the corrosion depth predicted by the model is a few millimetres during 10{sup 5} years. As the concentrations of sulphate and methane are extremely site-specific and future climate changes may significantly influence the groundwater compositions at potential repository sites, sensitivity analyses have been conducted. With a broad perspective of the measured concentrations at different sites in Sweden and in Finland, and some possible mechanisms (like the glacial meltwater intrusion and interglacial seawater intrusion) that may introduce more sulphate into the groundwater at intermediate depths during future climate changes, higher concentrations of either/both sulphate and methane than what is used as the representative 'central' values would be possible. In worst cases. locally, half of the canister thickness could possibly be corroded within 10{sup 5} years.
Coupled Transport/Reaction Modelling of Copper Canister Corrosion Aided by Microbial Processes
International Nuclear Information System (INIS)
Jinsong Liu
2006-04-01
Copper canister corrosion is an important issue in the concept of a nuclear fuel repository. Previous studies indicate that the oxygen-free copper canister could hold its integrity for more than 100,000 years in the repository environment. Microbial processes may reduce sulphate to sulphide and considerably increase the amount of sulphides available for corrosion. In this paper, a coupled transport/reaction model is developed to account for the transport of chemical species produced by microbial processes. The corroding agents like sulphide would come not only from the groundwater flowing in a fracture that intersects the canister, but also from the reduction of sulphate near the canister. The reaction of sulphate-reducing bacteria and the transport of sulphide in the bentonite buffer are included in the model. The depth of copper canister corrosion is calculated by the model. With representative 'central values' of the concentrations of sulphate and methane at repository depth at different sites in Fennoscandian Shield the corrosion depth predicted by the model is a few millimetres during 10 5 years. As the concentrations of sulphate and methane are extremely site-specific and future climate changes may significantly influence the groundwater compositions at potential repository sites, sensitivity analyses have been conducted. With a broad perspective of the measured concentrations at different sites in Sweden and in Finland, and some possible mechanisms (like the glacial meltwater intrusion and interglacial seawater intrusion) that may introduce more sulphate into the groundwater at intermediate depths during future climate changes, higher concentrations of either/both sulphate and methane than what is used as the representative 'central' values would be possible. In worst cases. locally, half of the canister thickness could possibly be corroded within 10 5 years
Directory of Open Access Journals (Sweden)
Peter Grassl
2016-09-01
Full Text Available Dual three-dimensional networks of structural and transport elements were combined to model the effect of fracture on mass transport in quasi-brittle geomaterials. Element connectivity of the structural network, representing elasticity and fracture, was defined by the Delaunay tessellation of a random set of points. The connectivity of transport elements within the transport network was defined by the Voronoi tessellation of the same set of points. A new discretisation strategy for domain boundaries was developed to apply boundary conditions for the coupled analyses. The properties of transport elements were chosen to evolve with the crack opening values of neighbouring structural elements. Through benchmark comparisons involving non-stationary transport and fracture, the proposed dual network approach was shown to be objective with respect to element size and orientation.
Phase-coherent transport and spin-orbit-coupling in III/V-semiconductor nanowires
International Nuclear Information System (INIS)
Estevez Hernandez, Sergio
2009-01-01
Semiconductor nanowires fabricated by a bottom-up approach are not only interesting for the realization of future nanoscaled devices but also appear to be very attractive model systems to tackle fundamental questions concerning the transport in strongly confined systems. In order to avoid the problem connected with carrier depletion, narrowband gap semiconductors, i.e., InAs or InN, or core-shell Nanowires, i.e., GaAs/AlGaAs, are preferred. The underlying reason is that in InAs or InN the Fermi-level pinning in the conduction band results in a carrier accumulation at the surface. In fact, the tubular topology of the surface electron gas opens up the possibility to observe unconventional quantum transport phenomena. When the phase-coherence length in the nanowire is comparable to its dimensions the conductance fluctuates if a magnetic field is applied or if the electron concentration is changed by means of a gate electrode. These so-called universal conductance fluctuations being in the order of e 2 /h originate from the fact that in small disordered samples, electron interference effects are not averaged out. In this work are analyzed universal conductance fluctuations to study the quantum transport properties in InN, InAs and GaAs/AlGaAs nanowires. With the use of a magnetic field and a back-gate electrode the universal conductance fluctuations and localizations effects were analyzed. Since InN and InAs are narrow band gap semiconductors, one naturally expects spin-orbit coupling effects. Because this phenomena is of importance for spin electronic applications. However, owing to the cylindrical symmetry of the InN and InAs nanowires, the latter effect was observable and actually be used to determine the strength of spin-orbit coupling. In order to clearly separate the weak antilocalization effect from the conductance fluctuations, the averaging of the magnetoconductance at different gate voltages was essential. The low-temperature quantum transport properties of
Energy Technology Data Exchange (ETDEWEB)
Jarsjoe, Jerker; Destouni, Georgia; Persson, Klas; Prieto, Carmen (Dept. of Physical Geography, Quaternary Geology, Stockholm Univ., Stockholm (Sweden))
2007-12-15
diffuse and occurring through SGD, small transient streams and/or coastal wetlands. Regarding transport quantifications, hydrogeochemical characteristics and pollution source loads may generally differ between larger, monitored catchments and smaller unmonitored coastal catchments. Since national hydrological monitoring data systematically exclude smaller, coastal catchments, they may not be representative for conditions in Forsmark (or Laxemar-Simpevarp). This emphasises the importance of extending in time the recently started hydrological and hydrogeochemical data series in the Forsmark and Laxemar-Simpevarp coastal catchment areas, since they are in effect unmonitored from a hydrological viewpoint, due to the lack of extended discharge time series. In the performed initial demonstration analysis of solute transport pathways from deep groundwater to recipients at the surface, we considered the main scenarios: (I) transport in the Quaternary deposits-bedrock interface zone only, and (II) transport in the coupled groundwater-surface water system. Considering mean travel times from each model cell to the coast, and disregarding travel times in the deep bedrock domain itself (which may be added to the here presented values), results show that travel times in scenario (II) were less than 4 years in 90% of the considered model area. Travel times were longer in scenario (I) with values higher than 10 years in 40% of the catchment area. These results are based on the assumption that the pathways do not go through zones of near-stagnant groundwater. If they would do so (and the above assumption is violated), results show that travel times can be considerably longer, for instance exceeding 400 years in half of the model area in scenario (I). Considering possible solute attenuation (caused by e.g. biogeochemical reactions or decay) along the hydrological transport pathways to inland surface waters and to the coast, we estimate solute mass delivery factors, representing the
Hydrology and phosphorus transport simulation in a lowland polder by a coupled modeling system.
Yan, Renhua; Huang, Jiacong; Li, Lingling; Gao, Junfeng
2017-08-01
Modeling the rain-runoff processes and phosphorus transport processes in lowland polders is critical in finding reasonable measures to alleviate the eutrophication problem of downstream rivers and lakes. This study develops a lowland Polder Hydrology and Phosphorus modeling System (PHPS) by coupling the WALRUS-paddy model and an improved phosphorus module of a Phosphorus Dynamic model for lowland Polder systems (PDP). It considers some important hydrological characteristics, such as groundwater-unsaturated zone coupling, groundwater-surface water feedback, human-controlled irrigation and discharge, and detailed physical and biochemical cycles of phosphorus in surface water. The application of the model in the Jianwei polder shows that the simulated phosphorus matches well with the measured values. The high precision of this model combined with its low input data requirement and efficient computation make it practical and easy to the water resources management of Chinese polders. Parameter sensitivity analysis demonstrates that K uptake , c Q2 , c W1 , and c Q1 exert a significant effect on the modeled results, whereas K resuspensionMax , K settling , and K mineralization have little effect on the modeled total phosphorus. Among the three types of uncertainties (i.e., parameter, initial condition, and forcing uncertainties), forcing uncertainty produces the strongest effect on the simulated phosphorus. Based on the analysis result of annual phosphorus balance when considering the high import from irrigation and fertilization, lowland polder is capable of retaining phosphorus and reducing phosphorus export to surrounding aquatic ecosystems because of their special hydrological regulation regime. Copyright © 2016 Elsevier Ltd. All rights reserved.
Calcium-Mediated Regulation of Proton-Coupled Sodium Transport - Final Report
Energy Technology Data Exchange (ETDEWEB)
Schumaker, Karen S [Professor
2013-10-24
The long-term goal of our experiments was to understand mechanisms that regulate energy coupling by ion currents in plants. Activities of living organisms require chemical, mechanical, osmotic or electrical work, the energy for which is supplied by metabolism. Adenosine triphosphate (ATP) has long been recognized as the universal energy currency, with metabolism supporting the synthesis of ATP and the hydrolysis of ATP being used for the subsequent work. However, ATP is not the only energy currency in living organisms. A second and very different energy currency links metabolism to work by the movement of ions passing from one side of a membrane to the other. These ion currents play a major role in energy capture and they support a range of physiological processes from the active transport of nutrients to the spatial control of growth and development. In Arabidopsis thaliana (Arabidopsis), the activity of a plasma membrane Na+/H+ exchanger, SALT OVERLY SENSITIVE1 (SOS1), is essential for regulation of sodium ion homeostasis during plant growth in saline conditions. Mutations in SOS1 result in severely reduced seedling growth in the presence of salt compared to the growth of wild type. SOS1 is a secondary active transporter coupling movement of sodium ions out of the cell using energy stored in the transplasma membrane proton gradient, thereby preventing the build-up of toxic levels of sodium in the cytosol. SOS1 is regulated by complexes containing the SOS2 and CALCINEURIN B-LIKE10 (CBL10) or SOS3 proteins. CBL10 and SOS3 (also identified as CBL4) encode EF-hand calcium sensors that interact physically with and activate SOS2, a serine/threonine protein kinase. The CBL10/SOS2 or SOS3/SOS2 complexes then activate SOS1 Na+/H+ exchange activity. We completed our studies to understand how SOS1 activity is regulated. Specifically, we asked: (1) how does CBL10 regulate SOS1 activity? (2) What role do two putative CBL10-interacting proteins play in SOS1 regulation? (3) Are
Sodium-coupled neutral amino acid (System N/A) transporters of the SLC38 gene family.
Mackenzie, Bryan; Erickson, Jeffrey D
2004-02-01
The sodium-coupled neutral amino acid transporters (SNAT) of the SLC38 gene family resemble the classically-described System A and System N transport activities in terms of their functional properties and patterns of regulation. Transport of small, aliphatic amino acids by System A subtypes (SNAT1, SNAT2, and SNAT4) is rheogenic and pH sensitive. The System N subtypes SNAT3 and SNAT5 also countertransport H(+), which may be key to their operation in reverse, and have narrower substrate profiles than do the System A subtypes. Glutamine emerges as a favored substrate throughout the family, except for SNAT4. The SLC38 transporters undoubtedly play many physiological roles including the transfer of glutamine from astrocyte to neuron in the CNS, ammonia detoxification and gluconeogenesis in the liver, and the renal response to acidosis. Probing their regulation has revealed additional roles, and recent work has considered SLC38 transporters as therapeutic targets in neoplasia.
DEFF Research Database (Denmark)
Larsen, Mie; Larsen, Birger Brodin; Frølund, Bente
2008-01-01
The objective of this study was to investigate transepithelial amino acid transport as a function of Caco-2 cell culture time. Furthermore, the objective was to investigate apical uptake characteristics of hPAT1-mediated transport under various experimental conditions. Apical amino acid uptake......, which has been shown to function as a carboxylic acid bioisostere for substrates of the GABA receptor and transport systems....
Gate tunable spin transport in graphene with Rashba spin-orbit coupling
Tan, Xiao-Dong; Liao, Xiao-Ping; Sun, Litao
2016-10-01
Recently, it attracts much attention to study spin-resolved transport properties in graphene with Rashba spin-orbit coupling (RSOC). One remarkable finding is that Klein tunneling in single layer graphene (SLG) with RSOC (SLG + R for short below) behaves as in bi-layer graphene (BLG). Based on the effective Dirac theory, we reconsider this tunneling problem and derive the analytical solution for the transmission coefficients. Our result shows that Klein tunneling in SLG + R and BLG exhibits completely different behaviors. More importantly, we find two new transmission selection rules in SLG + R, i.e., the single band to single band (S → S) and the single band to multiple bands (S → M) transmission regimes, which strongly depend on the relative height among Fermi level, RSOC, and potential barrier. Interestingly, in the S → S transmission regime, only normally incident electrons have capacity to pass through the barrier, while in the S → M transmission regime the angle-dependent tunneling becomes very prominent. Using the transmission coefficients, we also derive spin-resolved conductance analytically, and conductance oscillation with the increasing barrier height and zero conductance gap are found in SLG + R. The present study offers new insights and opportunities for developing graphene-based spin devices.
Interband coupling and transport interband scattering in s_{±} superconductors
Energy Technology Data Exchange (ETDEWEB)
Kogan, Vladimir [Ames Lab., Ames, IA (United States); Prozorov, Ruslan [Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
2016-04-04
A two-band model with repulsive interband coupling and interband transport (potential) scattering is considered to elucidate their effects on material properties. In agreement with previous work, we find that the bands order parameters Δ_{1,2} differ and the large is at the band with a smaller normal density of states (DOS), N_{n2} < N_{n1}. However, the bands energy gaps, as determined by the energy dependence of the DOS, are equal due to scattering. For each temperature, the gaps turn zero at a certain critical interband scattering rate, i.e. for strong enough scattering the model material becomes gappless. In the gapless state, the DOS at the band 2 is close to the normal state value, whereas at the band 1 it has a V-shape with non-zero minimum. When the normal bands DOS' are mismatched, N_{n1} 6= N_{n2}, the critical temperature T_{c} is suppressed even in the absence of interband scattering, T_{c}(N_{n1}) has a dome-like shape. With increasing interband scattering, the London penetration depth at low temperatures evolves from being exponentially at to the powerlaw and even to near linear behavior in the gapless state, the latter being easily misinterpreted as caused by order parameter nodes.
Alvaro, M; Bonilla, L L; Carretero, M; Melnik, R V N; Prabhakar, S
2013-08-21
In this paper we develop a kinetic model for the analysis of semiconductor superlattices, accounting for quantum effects. The model consists of a Boltzmann-Poisson type system of equations with simplified Bhatnagar-Gross-Krook collisions, obtained from the general time-dependent Schrödinger-Poisson model using Wigner functions. This system for superlattice transport is supplemented by the quantum mechanical part of the model based on the Ben-Daniel-Duke form of the Schrödinger equation for a cylindrical superlattice of finite radius. The resulting energy spectrum is used to characterize the Fermi-Dirac distribution that appears in the Bhatnagar-Gross-Krook collision, thereby coupling the quantum mechanical and kinetic parts of the model. The kinetic model uses the dispersion relation obtained by the generalized Kronig-Penney method, and allows us to estimate radii of quantum wire superlattices that have the same miniband widths as in experiments. It also allows us to determine more accurately the time-dependent characteristics of superlattices, in particular their current density. Results, for several experimentally grown superlattices, are discussed in the context of self-sustained coherent oscillations of the current density which are important in an increasing range of current and potential applications.
International Nuclear Information System (INIS)
Zhou, W.; Arthur, R.; Xu, T.; Pruess, K.
2005-01-01
Full text of publication follows: Bentonite is planned for use as a buffer material in the Swedish nuclear waste disposal concept (KBS-3). Upon emplacement, the buffer is expected to experience a complex set of coupled processes involving heating, re-saturation, reaction and transport of groundwater imbibed from the host rock. The effect of these processes may eventually lead to changes in desirable physical and rheological properties of the buffer, but these processes are not well understood. In this paper, a new quantitative model is evaluated to help improve our understanding of the long-term performance of buffer materials. This is an extension of a previous study [1] that involved simple thermal and chemical models applied to a fully saturated buffer. The thermal model in the present study uses heating histories for spent fuel in a single waste package [2]. The model uses repository dimensions, such as borehole and tunnel spacings [2], which affect the temperature distribution around the waste package. At the time of emplacement, bentonite is partially saturated with water having a different composition than the host-rock groundwater. The present model simulates water imbibition from the host rock into the bentonite under capillary and hydraulic pressure gradients. The associated chemical reactions and solute transport are simulated using Aespoe water composition [3]. The initial mineralogy of bentonite is assumed to be dominated by Na-smectite with much smaller amounts of anhydrite and calcite. Na-smectite dissolution is assumed to be kinetically-controlled while all other reactions are assumed to be at equilibrium controlled. All equilibrium and kinetic constants are temperature dependent. The modeling tool used is TOUGHREACT, developed by Lawrence Berkeley National Laboratory [4]. TOUGHREACT is a numerical model that is well suited for near-field simulations because it accounts for feedback between porosity and permeability changes from mineral
International Nuclear Information System (INIS)
Landesman, C.; Grambow, B.; Bailly, C.; Ribet, S.; Perrigaud, K.; Baty, V.; Giffaut, E.
2010-01-01
Document available in extended abstract form only. Full text of publication entered in this record. For assessing the mass transfer resistance of the Callovo-Oxfordian clay rock formation in case of implementing a nuclear waste repository, various strongly coupled processes need to be understood and quantified both in near and far field: multi-species diffusion/advection, mineral/pore water interaction, interaction with the waste matrix and engineered barrier material, radionuclide retention, colloid transport, pore water chemistry evolution etc. To study many of these processes in their interrelationship simultaneously, a series of high pressure stainless steel advection cell was designed and clay cores from different locations of different calcite and clay contents were machined to fit the inner diameter of the cells with a precision of 50 μm. After assembling, simulated oxygen free clay pore water with bromine tracer was pushed by a High Pressure pump through the reactor by a pressure of up 100 bars at temperatures between 20 and 90 deg. C and the out-flowing water was collected, protected from air and analyzed by ICP-MS, COT meter and ion chromatography in regular time intervals. The water flow rate was between 0.02 and 1.2 mL/ d, corresponding to a clay rock permeabilities between 10 -12 and 10 -14 m/s at 25 deg. C. Permeabilities increase with temperature as expected due to reduction of viscosity of water. The experiments last up to 2 years. The first drops of out flowing allow estimating the initial pore water composition. This is particular useful to assess mobile natural organic matter contents, Se concentrations and temperature effect on clay water composition. Results show that only very small organic molecules are mobile. Temperature had only little effect on water composition. After few months both tritiated (HTO) water and 36 Cl were added and from the evolution of the activities in the out flowing water dispersion coefficients and accessible
Problems related to macroscopic electric fields in the magnetosphere
International Nuclear Information System (INIS)
Faelthammar, C.
1977-01-01
The macroscopic electric fields in the magnetosphere originate from internal as well as external sources. The fields are intimately coupled with the dynamics of magnetospheric plasma convection. They also depend on the complicated electrical properties of the hot collisionless plasma. Macroscopic electric fields are responsible for some important kinds of energization of charged particles that take place in the magnetosphere and affect not only particles of auroral energy but also, by multistep processes, trapped high-energy particles. A particularly interesting feature of magnetospheric electric fields is that they can have substantial components along the geomagnetic field, as has recently been confirmed by observations. Several physical mechanisms have been identified by which such electric fields can be supported even when collisions between particles are negligible. Comments are made on the magnetic mirror effect, anomalous resistivity, the collisionless thermoelectric effect, and electric double layers, emphasizing key features and differences and their significance in the light of recent observational data
Macroscopic quantum electrodynamics of high-Q cavities
International Nuclear Information System (INIS)
Khanbekyan, Mikayel
2009-01-01
In this thesis macroscopic quantum electrodynamics in linear media was applied in order to develop an universally valid quantum theory for the description of the interaction of the electromagnetic field with atomic sources in high-Q cavities. In this theory a complete description of the characteristics of the emitted radiation is given. The theory allows to show the limits of the applicability of the usually applied theory. In order to establish an as possible generally valid theory first the atom-field interaction was studied in the framework of macroscopic quantum electrodynamics in dispersive and absorptive media. In order to describe the electromagnetic field from Maxwell's equations was started, whereby the noise-current densities, which are connected with the absorption of the medium, were included. The solution of these equations expresses the electromagnetic field variables by the noise-current densities by means of Green's tensor of the macroscopic Maxwell equations. The explicit quantization is performed by means of the noise-current densities, whereby a diagonal Hamiltonian is introduced, which then guarantees the time development according to Maxwell's equation and the fulfillment of the fundamental simultaneous commutation relations of the field variables. In the case of the interaction of the medium-supported field with atoms the Hamiltonian must be extended by atom-field interactions energies, whereby the canonical coupling schemes of the minimal or multipolar coupling can be used. The dieelectric properties of the material bodies as well as their shape are coded in the Green tensor of the macroscopic Maxwell equations. As preparing step first the Green tensor was specified in order to derive three-dimensional input-output relations for the electromagnetic field operators on a plane multilayer structure. Such a general dewscription of the electromagnetic field allows the inclusion both of dispersion and absorption of the media and the possible
Rank distributions: A panoramic macroscopic outlook
Eliazar, Iddo I.; Cohen, Morrel H.
2014-01-01
This paper presents a panoramic macroscopic outlook of rank distributions. We establish a general framework for the analysis of rank distributions, which classifies them into five macroscopic "socioeconomic" states: monarchy, oligarchy-feudalism, criticality, socialism-capitalism, and communism. Oligarchy-feudalism is shown to be characterized by discrete macroscopic rank distributions, and socialism-capitalism is shown to be characterized by continuous macroscopic size distributions. Criticality is a transition state between oligarchy-feudalism and socialism-capitalism, which can manifest allometric scaling with multifractal spectra. Monarchy and communism are extreme forms of oligarchy-feudalism and socialism-capitalism, respectively, in which the intrinsic randomness vanishes. The general framework is applied to three different models of rank distributions—top-down, bottom-up, and global—and unveils each model's macroscopic universality and versatility. The global model yields a macroscopic classification of the generalized Zipf law, an omnipresent form of rank distributions observed across the sciences. An amalgamation of the three models establishes a universal rank-distribution explanation for the macroscopic emergence of a prevalent class of continuous size distributions, ones governed by unimodal densities with both Pareto and inverse-Pareto power-law tails.
Energy Technology Data Exchange (ETDEWEB)
Yeh, G.T.; Salvage, K.M. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Civil and Environmental Engineering; Gwo, J.P. [Oak Ridge National Lab., TN (United States); Zachara, J.M.; Szecsody, J.E. [Pacific Northwest National Lab., Richland, WA (United States)
1998-07-01
The computer program HYDROBIOGEOCHEM is a coupled model of HYDROlogic transport and BIOGEOCHEMical kinetic and/or equilibrium reactions in saturated/unsaturated media. HYDROBIOGEOCHEM iteratively solves the two-dimensional transport equations and the ordinary differential and algebraic equations of mixed biogeochemical reactions. The transport equations are solved for all aqueous chemical components and kinetically controlled aqueous species. HYDROBIOGEOCHEM is designed for generic application to reactive transport problems affected by both microbiological and geochemical reactions in subsurface media. Input to the program includes the geometry of the system, the spatial distribution of finite elements and nodes, the properties of the media, the potential chemical and microbial reactions, and the initial and boundary conditions. Output includes the spatial distribution of chemical and microbial concentrations as a function of time and space, and the chemical speciation at user-specified nodes.
Felts, Bruce; Pramod, Akula Bala; Sandtner, Walter; Burbach, Nathan; Bulling, Simon; Sitte, Harald H; Henry, L Keith
2014-01-17
Neurotransmitter transporters of the SLC6 family of proteins, including the human serotonin transporter (hSERT), utilize Na(+), Cl(-), and K(+) gradients to induce conformational changes necessary for substrate translocation. Dysregulation of ion movement through monoamine transporters has been shown to impact neuronal firing potentials and could play a role in pathophysiologies, such as depression and anxiety. Despite multiple crystal structures of prokaryotic and eukaryotic SLC transporters indicating the location of both (or one) conserved Na(+)-binding sites (termed Na1 and Na2), much remains uncertain in regard to the movements and contributions of these cation-binding sites in the transport process. In this study, we utilize the unique properties of a mutation of hSERT at a single, highly conserved asparagine on TM1 (Asn-101) to provide several lines of evidence demonstrating mechanistically distinct roles for Na1 and Na2. Mutations at Asn-101 alter the cation dependence of the transporter, allowing Ca(2+) (but not other cations) to functionally replace Na(+) for driving transport and promoting 5-hydroxytryptamine (5-HT)-dependent conformational changes. Furthermore, in two-electrode voltage clamp studies in Xenopus oocytes, both Ca(2+) and Na(+) illicit 5-HT-induced currents in the Asn-101 mutants and reveal that, although Ca(2+) promotes substrate-induced current, it does not appear to be the charge carrier during 5-HT transport. These findings, in addition to functional evaluation of Na1 and Na2 site mutants, reveal separate roles for Na1 and Na2 and provide insight into initiation of the translocation process as well as a mechanism whereby the reported SERT stoichiometry can be obtained despite the presence of two putative Na(+)-binding sites.
Felts, Bruce; Pramod, Akula Bala; Sandtner, Walter; Burbach, Nathan; Bulling, Simon; Sitte, Harald H.; Henry, L. Keith
2014-01-01
Neurotransmitter transporters of the SLC6 family of proteins, including the human serotonin transporter (hSERT), utilize Na+, Cl−, and K+ gradients to induce conformational changes necessary for substrate translocation. Dysregulation of ion movement through monoamine transporters has been shown to impact neuronal firing potentials and could play a role in pathophysiologies, such as depression and anxiety. Despite multiple crystal structures of prokaryotic and eukaryotic SLC transporters indicating the location of both (or one) conserved Na+-binding sites (termed Na1 and Na2), much remains uncertain in regard to the movements and contributions of these cation-binding sites in the transport process. In this study, we utilize the unique properties of a mutation of hSERT at a single, highly conserved asparagine on TM1 (Asn-101) to provide several lines of evidence demonstrating mechanistically distinct roles for Na1 and Na2. Mutations at Asn-101 alter the cation dependence of the transporter, allowing Ca2+ (but not other cations) to functionally replace Na+ for driving transport and promoting 5-hydroxytryptamine (5-HT)-dependent conformational changes. Furthermore, in two-electrode voltage clamp studies in Xenopus oocytes, both Ca2+ and Na+ illicit 5-HT-induced currents in the Asn-101 mutants and reveal that, although Ca2+ promotes substrate-induced current, it does not appear to be the charge carrier during 5-HT transport. These findings, in addition to functional evaluation of Na1 and Na2 site mutants, reveal separate roles for Na1 and Na2 and provide insight into initiation of the translocation process as well as a mechanism whereby the reported SERT stoichiometry can be obtained despite the presence of two putative Na+-binding sites. PMID:24293367
CRACKER - a program coupling chemistry and transport. Version 92-11
Energy Technology Data Exchange (ETDEWEB)
Emren, A [Chalmers Univ. of Technology, Gothenburg (Sweden). Dept. of Nuclear Technology
1992-12-01
CRACKER is a program coupling chemistry and transport. It simulates chemical reactions of groundwater flowing through a plane fracture. Properties like initial composition of the water, mineralogical composition of the rock and temperature gradients and flow velocity of the water serve as input for the modelling. The program is designed to handle heterogeneous rock properties, like redox fronts, regions with different mineralogy etc. It is even able to handle the common situation of a rock violating the phase rule. In the CRACKER model, a rock is formed by a more or less random distribution of minerals across the surfaces of a fracture. Water moves along the fracture (in present version at a constant velocity). No diffusion parallel to the flow direction is simulated. CRACKER is a package of several programs, most of them written in C. Chemical equilibrium calculations are mostly performed by the well-known geochemical program PHREEQE. The main program, CRACKER, manages information flow and determines which subprograms to use for specific tasks. Further it is responsible for the user interface. Essentially a simulation proceeds by alternate call to the HACKER and PHREEQE subprograms. HACKER is responsible for generating the rock, water propagation, mixing of waters and sampling the results. PHREEQE is used to solve the chemical equilibrium equations. The directory structure and the data structures used by CRACKER are described in separate sections. Further, the different subprograms are described with respect to purposes and methods used to handle the problems. The purpose of each first level function in the subprograms is described. (author).
CRACKER - a program coupling chemistry and transport. Version 92-11
International Nuclear Information System (INIS)
Emren, A.
1992-12-01
CRACKER is a program coupling chemistry and transport. It simulates chemical reactions of groundwater flowing through a plane fracture. Properties like initial composition of the water, mineralogical composition of the rock and temperature gradients and flow velocity of the water serve as input for the modelling. The program is designed to handle heterogeneous rock properties, like redox fronts, regions with different mineralogy etc. It is even able to handle the common situation of a rock violating the phase rule. In the CRACKER model, a rock is formed by a more or less random distribution of minerals across the surfaces of a fracture. Water moves along the fracture (in present version at a constant velocity). No diffusion parallel to the flow direction is simulated. CRACKER is a package of several programs, most of them written in C. Chemical equilibrium calculations are mostly performed by the well-known geochemical program PHREEQE. The main program, CRACKER, manages information flow and determines which subprograms to use for specific tasks. Further it is responsible for the user interface. Essentially a simulation proceeds by alternate call to the HACKER and PHREEQE subprograms. HACKER is responsible for generating the rock, water propagation, mixing of waters and sampling the results. PHREEQE is used to solve the chemical equilibrium equations. The directory structure and the data structures used by CRACKER are described in separate sections. Further, the different subprograms are described with respect to purposes and methods used to handle the problems. The purpose of each first level function in the subprograms is described. (author)
Energy Technology Data Exchange (ETDEWEB)
Samper, J.; Ajora, C. (Instituto de Ciencias de la Tierra, CSIC, Barcerlona (Spain))
1993-01-01
During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs.
Woody debris transport modelling by a coupled DE-SW approach
Persi, Elisabetta; Petaccia, Gabriella; Sibilla, Stefano
2016-04-01
The presence of wood in rivers is gaining more and more attention: on one side, the inclusion of woody debris in streams is emphasized for its ecological benefits; on the other hand, particular attention must be paid to its management, not to affect hydraulic safety. Recent events have shown that wood can be mobilized during floodings (Comiti et al. 2008, Lange and Bezzola 2006), aggravating inundations, in particular near urban areas. For this reason, the inclusion of woody debris influence on the prediction of flooded areas is an important step toward the reduction of hydraulic risk. Numerical modelling plays an important role to this purpose. Ruiz-Villanueva et al. (2014) use a two-dimensional numerical model to calculate the kinetics of cylindrical woody debris transport, taking into account also the hydrodynamic effects of wood. The model here presented couples a Discrete Element approach (DE) for the calculation of motion of a cylindrical log with the solution of the Shallow Water Equations (SW), in order to simulate woody debris transport in a two-dimensional stream. In a first step, drag force, added mass force and side force are calculated from flow and log velocities, assuming a reference area and hydrodynamic coefficients taken from literature. Then, the equations of dynamics are solved to model the planar roto-translation of the wooden cylinder. Model results and its physical reliability are clearly affected by the values of the drag and side coefficients, which in turn depend upon log submergence and angle towards the flow direction. Experimental studies to evaluate drag and side coefficients can be found for a submerged cylinder, with various orientations (Gippel et al. 1996; Hoang et al. 2015). To extend such results to the case of a floating (non-totally submerged) cylinder, the authors performed a series of laboratory tests whose outcomes are implemented in the proposed DE-SW model, to assess the effects of these values on the dynamic of woody
Characteristics of nonlocally-coupled transition of the heat transport in LHD
International Nuclear Information System (INIS)
Tamura, N.; Ida, K.; Tanaka, K.; Tokuzawa, T.; Itoh, K.; Shimozuma, T.; Kubo, S.; Tsuchiya, H.; Nagayama, Y.; Kawahata, K.; Sudo, S.; Yamada, H.; Inagaki, S.
2010-01-01
A comparison of characteristics between a nonlocal transport phenomenon and an electron internal transport barrier (ITB) in the Large Helical Device is performed with a transient transport analysis and from the viewpoint of a dynamic behavior of transport state. The electron ITB is characterized by a jump of electron temperature gradient. In contrast, the transient transport analysis indicates the nonlocal transport phenomenon is characterized by a jump of electron heat flux. And seen from the viewpoint of the dynamic behavior of transport state, the physical mechanism of the appearance of the nonlocal transport phenomenon is found to be qualitatively different from that of the formation of the electron ITB. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Peptide Selectivity of the Proton-Coupled Oligopeptide Transporter from Neisseria meningitidis
DEFF Research Database (Denmark)
Sharma, Neha; Aduri, Nanda G; Iqbal, Anna
2016-01-01
POT). It has been shown that the gene encoding this transporter is upregulated during infection. NmPOT conformed to the typical chain length preference as observed in prototypical transporters of this family. In contrast to prototypical transporters, it was unable to accommodate a positively charged peptide...
Macroscopic quantum waves in non local theories
International Nuclear Information System (INIS)
Ventura, I.
1979-01-01
By means of an expansion in the density, it is shown that Macroscopic Quantum Waves also apear in non local theories. This result reinforces the conjecture that these waves should exist in liquid 4 He. (Author) [pt
Macroscopic quantum waves in non local theories
International Nuclear Information System (INIS)
Ventura, I.
1979-01-01
By means of an expansion in the density, it is shown that Macroscopic Quantum Waves also appear in non local theories. This result reinforces the conjecture that these waves should exist in liquid 4 He [pt
Energy Technology Data Exchange (ETDEWEB)
Fujii, H.; Itoi, R.; Fujii, J. [Kyushu University, Fukuoka (Japan). Faculty of Engineering, Department of Earth Resources Engineering; Uchida, Y. [Geological Survey of Japan, Tsukuba (Japan)
2005-06-01
In order to predict the long-term performance of large-scale ground-coupled heat pump (GCHP) systems, it is necessary to take into consideration well-to-well interference, especially in the presence of groundwater flow. A mass and heat transport model was developed to simulate the behavior of this type of system in the Akita Plain, northern Japan. The model was used to investigate different operational schemes and to maximize the heat extraction rate from the GCHP system. (author)
Janssen, G.; Del Val Alonso, L.; Groenendijk, P.; Griffioen, J.
2012-12-01
We developed an on-line coupling between the 1D/quasi-2D nutrient transport model ANIMO and the 3D groundwater transport model code MT3DMS. ANIMO is a detailed, process-oriented model code for the simulation of nitrate leaching to groundwater, N- and P-loads on surface waters and emissions of greenhouse gasses. It is the leading nutrient fate and transport code in the Netherlands where it is used primarily for the evaluation of fertilization related legislation. In addition, the code is applied frequently in international research projects. MT3DMS is probably the most commonly used groundwater solute transport package worldwide. The on-line model coupling ANIMO-MT3DMS combines the state-of-the-art descriptions of the biogeochemical cycles in ANIMO with the advantages of using a 3D approach for the transport through the saturated domain. These advantages include accounting for regional lateral transport, considering groundwater-surface water interactions more explicitly, and the possibility of using MODFLOW to obtain the flow fields. An additional merit of the on-line coupling concept is that it preserves feedbacks between the saturated and unsaturated zone. We tested ANIMO-MT3DMS by simulating nutrient transport for the period 1970-2007 in a Dutch agricultural polder catchment covering an area of 118 km2. The transient groundwater flow field had a temporal resolution of one day and was calculated with MODFLOW-MetaSWAP. The horizontal resolution of the model grid was 100x100m and consisted of 25 layers of varying thickness. To keep computation times manageable, we prepared MT3DMS for parallel computing, which in itself is a relevant development for a large community of groundwater transport modelers. For the parameterization of the soil, we applied a standard classification approach, representing the area by 60 units with unique combinations of soil type, land use and geohydrological setting. For the geochemical parameterization of the deeper subsurface, however, we
Assessments of macroscopicity for quantum optical states
DEFF Research Database (Denmark)
Laghaout, Amine; Neergaard-Nielsen, Jonas Schou; Andersen, Ulrik Lund
2015-01-01
With the slow but constant progress in the coherent control of quantum systems, it is now possible to create large quantum superpositions. There has therefore been an increased interest in quantifying any claims of macroscopicity. We attempt here to motivate three criteria which we believe should...... enter in the assessment of macroscopic quantumness: The number of quantum fluctuation photons, the purity of the states, and the ease with which the branches making up the state can be distinguished. © 2014....
Nuclear fission as a macroscopic quantum tunneling
International Nuclear Information System (INIS)
Takigawa, N.
1995-01-01
We discuss nuclear fission from the point of view of a macroscopic quantum tunneling, one of whose major interests is to study the effects of environments on the tunneling rate of a macroscopic variable. We show that a vibrational excitation of the fissioning nucleus significantly enhances the fission rate. We show this effect by two different methods. The one is to treat the vibrational excitation as an environmental degree of freedom, the other treats the fission as a two dimensional quantum tunneling. (author)
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
Directory of Open Access Journals (Sweden)
Rong Ren
2017-04-01
Full Text Available Temperature is an integral part of soil quality in terms of moisture content; coupling between water and heat can render a soil fertile, and plays a role in water conservation. Although it is widely recognized that both water and heat transport are fundamental factors in the quantification of soil mass and energy balance, their computation is still limited in most models or practical applications in the root zone under non-isothermal conditions. This research was conducted to: (a implement a fully coupled mathematical model that contains the full coupled process of soil water and heat transport with plants focused on the influence of temperature gradient on soil water redistribution and on the influence of change in soil water movement on soil heat flux transport; (b verify the mathematical model with detailed field monitoring data; and (c analyze the accuracy of the model. Results show the high accuracy of the model in predicting the actual changes in soil water content and temperature as a function of time and soil depth. Moreover, the model can accurately reflect changes in soil moisture and heat transfer in different periods. With only a few empirical parameters, the proposed model will serve as guide in the field of surface irrigation.
Xu, Dazhi; Cao, Jianshu
2016-08-01
The concept of polaron, emerged from condense matter physics, describes the dynamical interaction of moving particle with its surrounding bosonic modes. This concept has been developed into a useful method to treat open quantum systems with a complete range of system-bath coupling strength. Especially, the polaron transformation approach shows its validity in the intermediate coupling regime, in which the Redfield equation or Fermi's golden rule will fail. In the polaron frame, the equilibrium distribution carried out by perturbative expansion presents a deviation from the canonical distribution, which is beyond the usual weak coupling assumption in thermodynamics. A polaron transformed Redfield equation (PTRE) not only reproduces the dissipative quantum dynamics but also provides an accurate and efficient way to calculate the non-equilibrium steady states. Applications of the PTRE approach to problems such as exciton diffusion, heat transport and light-harvesting energy transfer are presented.
Nguyen, Truong X.; Dudley, Kenneth L.; Scearce, Stephen A.; Ely, Jay J.; Richardson, Robert E.; Hatfield, Michael O.
2000-01-01
An investigation was performed to study the potential for radio frequency (RF) power radiated from Portable Electronic Devices (PEDs) to create an arcing/sparking event within the fuel tank of a large transport aircraft. This paper describes the experimental methods used for measuring RF coupling to the fuel tank and Fuel Quantity Indication System (FQIS) wiring from PED sources located in the passenger cabin. To allow comparison of voltage/current data obtained in a laboratory chamber FQIS installation to an actual aircraft FQIS installation, aircraft fuel tank RF reverberation characteristics were also measured. Results from the measurements, along with a survey of threats from typical intentional transmitting PEDs are presented. The resulting worst-case power coupled onto fuel tank FQIS wiring is derived. The same approach can be applied to measure RF coupling into various other aircraft systems.
International Nuclear Information System (INIS)
Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia
2016-01-01
Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.
Energy Technology Data Exchange (ETDEWEB)
Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia
2016-10-20
Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.
Mori, K.; Tada, K.; Tawara, Y.; Tosaka, H.; Ohno, K.; Asami, M.; Kosaka, K.
2015-12-01
Since the Fukushima Dai-ichi Nuclear Power Plant (FDNPP) accident, intensive monitoring and modeling works on radionuclide transfer in environment have been carried out. Although Cesium (Cs) concentration has been attenuating due to both physical and environmental half-life (i.e., wash-off by water and sediment), the attenuation rate depends clearly on the type of land use and land cover. In the Fukushima case, studying the migration in forest land use is important for predicting the long-term behavior of Cs because most of the contaminated region is covered by forests. Atmospheric fallout is characterized by complicated behavior in biogeochemical cycle in forests which can be described by biotic/abiotic interactions between many components. In developing conceptual and mathematical model on Cs transfer in forest ecosystem, defining the dominant components and their interactions are crucial issues (BIOMASS, 1997-2001). However, the modeling of fate and transport in geosphere after Cs exports from the forest ecosystem is often ignored. An integrated watershed modeling for simulating spatiotemporal redistribution of Cs that includes the entire region from source to mouth and surface to subsurface, has been recently developed. Since the deposited Cs can migrate due to water and sediment movement, the different species (i.e., dissolved and suspended) and their interactions are key issues in the modeling. However, the initial inventory as source-term was simplified to be homogeneous and time-independent, and biogeochemical cycle in forests was not explicitly considered. Consequently, it was difficult to evaluate the regionally-inherent characteristics which differ according to land uses, even if the model was well calibrated. In this study, we combine the different advantages in modeling of forest ecosystem and watershed. This enable to include more realistic Cs deposition and time series of inventory can be forced over the land surface. These processes are integrated
CryoEM structure of the human SLC4A4 sodium-coupled acid-base transporter NBCe1.
Huynh, Kevin W; Jiang, Jiansen; Abuladze, Natalia; Tsirulnikov, Kirill; Kao, Liyo; Shao, Xuesi; Newman, Debra; Azimov, Rustam; Pushkin, Alexander; Zhou, Z Hong; Kurtz, Ira
2018-03-02
Na + -coupled acid-base transporters play essential roles in human biology. Their dysfunction has been linked to cancer, heart, and brain disease. High-resolution structures of mammalian Na + -coupled acid-base transporters are not available. The sodium-bicarbonate cotransporter NBCe1 functions in multiple organs and its mutations cause blindness, abnormal growth and blood chemistry, migraines, and impaired cognitive function. Here, we have determined the structure of the membrane domain dimer of human NBCe1 at 3.9 Å resolution by cryo electron microscopy. Our atomic model and functional mutagenesis revealed the ion accessibility pathway and the ion coordination site, the latter containing residues involved in human disease-causing mutations. We identified a small number of residues within the ion coordination site whose modification transformed NBCe1 into an anion exchanger. Our data suggest that symporters and exchangers utilize comparable transport machinery and that subtle differences in their substrate-binding regions have very significant effects on their transport mode.
Conductance fluctuations in a macroscopic 3-dimensional Anderson insulator
International Nuclear Information System (INIS)
Sanquer, M.
1990-01-01
We report magnetoconductance experiment on a amorphous Y x -Si 1-x alloy (∼0.3). which is an Anderson insulator where spin-orbit scattering is strong. Two principal and new features emerge from the data: the first one is an halving of the localization length by the application of a magnetic field of about 2.5 Teslas. This effect is predicted by a new approach of transport in Anderson insulators where basic symetry considerations are the most important ingredient. The second one is the observation of reproducible conductance fluctuations at very low temperature in this macroscopic 3 D amorphous material
Pahar, Gourabananda; Dhar, Anirban
2017-04-01
A coupled solenoidal Incompressible Smoothed Particle Hydrodynamics (ISPH) model is presented for simulation of sediment displacement in erodible bed. The coupled framework consists of two separate incompressible modules: (a) granular module, (b) fluid module. The granular module considers a friction based rheology model to calculate deviatoric stress components from pressure. The module is validated for Bagnold flow profile and two standardized test cases of sediment avalanching. The fluid module resolves fluid flow inside and outside porous domain. An interaction force pair containing fluid pressure, viscous term and drag force acts as a bridge between two different flow modules. The coupled model is validated against three dambreak flow cases with different initial conditions of movable bed. The simulated results are in good agreement with experimental data. A demonstrative case considering effect of granular column failure under full/partial submergence highlights the capability of the coupled model for application in generalized scenario.
Modeling of radiation transport in coupled atmosphere-snow-ice-ocean systems
International Nuclear Information System (INIS)
Stamnes, K.; Hamre, B.; Stamnes, J. J.; Ryzhikov, G.; Biryulina, M.
2009-01-01
A radiative transfer model for coupled atmosphere-snow-ice-ocean systems is used to develop accurate and efficient tools for computing the BRDF of sea ice for a wide range of situations occurring in nature. (authors)
Electrical and thermal transport in the quasi-atomic limit of coupled Luttinger liquids
Szasz, Aaron; Ilan, Roni; Moore, Joel E.
2016-01-01
We introduce a new model for quasi one-dimensional materials, motivated by intriguing but not yet well-understood experiments that have shown two-dimensional polymer films to be promising materials for thermoelectric devices. We consider a two-dimensional material consisting of many one-dimensional systems, each treated as a Luttinger liquid, with weak (incoherent) coupling between them. This approximation of strong interactions within each one-dimensional chain and weak coupling between them...
International Nuclear Information System (INIS)
Carnes, B.; Djilali, N.
2006-01-01
Transport of liquid water within a polymer electrolyte membrane (PEM) is critical to the operation of a PEM fuel cell, due to the strong dependence of the membrane transport coefficients on water content. In addition, enhanced predictive abilities are particularly significant in the context of passive air breathing fuel cell designs where lower water contents will prevail in the membrane. We investigate and analyze the numerical predictions of a recently proposed rational model for transport of protons and water in a PEM, when compared to a widely used empirical model. While the performance is similar for a saturated membrane, for PEMs with low water content, the difference in computed current density and membrane water crossover can be substantial. The effects of coupling partially saturated gas diffusion electrodes (GDLs) with the membrane are studied in both a 1D and 2D context. In addition, a simplified 1D analytical membrane water transport model is validated against the complete 1D model predictions. Our numerical results predict a higher current density and more uniform membrane hydration using a dry cathode instead of a dry anode, and illustrate that the strongest 2D effects are for water vapor transport
International Nuclear Information System (INIS)
Megret, O.; Bequet, L.; Manificat, A.; Weber, C.
2011-12-01
This study aims, on one hand, to realize a state of art about over long distance transport and heat energy storage and, on the other hand, to examine their coupling with waste valuation systems. After reminding the adequate context of development with those solutions and too showing the importance of the stake linked to the current work, we first expose the introductive elements in terms of storage and heat energy transport. The second chapter deals with the description of some materials, equipment and systems concerning heat storage energy. Afterward, the over long distance heat transport systems are detailed in the third chapter. In the fourth chapter, it is about waste valuation techniques and heat energy potentials users. The fifth chapter sums up the different techniques of storage and heat transport that are applicable to waste field according to the appropriate sector. Finally, the sixth chapter goes about 3 case-works in 3 fields: housing/commercial, industrial laundry and high temperature industry (steel industry). The purpose is to determine the implementation feasibility of the different techniques of storage and waste heat transport. (authors)
A 2D/1D coupling neutron transport method based on the matrix MOC and NEM methods
Energy Technology Data Exchange (ETDEWEB)
Zhang, H.; Zheng, Y.; Wu, H.; Cao, L. [School of Nuclear Science and Technology, Xi' an Jiaotong University, No. 28, Xianning West Road, Xi' an, Shaanxi 710049 (China)
2013-07-01
A new 2D/1D coupling method based on the matrix MOC method (MMOC) and nodal expansion method (NEM) is proposed for solving the three-dimensional heterogeneous neutron transport problem. The MMOC method, used for radial two-dimensional calculation, constructs a response matrix between source and flux with only one sweep and then solves the linear system by using the restarted GMRES algorithm instead of the traditional trajectory sweeping process during within-group iteration for angular flux update. Long characteristics are generated by using the customization of commercial software AutoCAD. A one-dimensional diffusion calculation is carried out in the axial direction by employing the NEM method. The 2D and ID solutions are coupled through the transverse leakage items. The 3D CMFD method is used to ensure the global neutron balance and adjust the different convergence properties of the radial and axial solvers. A computational code is developed based on these theories. Two benchmarks are calculated to verify the coupling method and the code. It is observed that the corresponding numerical results agree well with references, which indicates that the new method is capable of solving the 3D heterogeneous neutron transport problem directly. (authors)
A 2D/1D coupling neutron transport method based on the matrix MOC and NEM methods
International Nuclear Information System (INIS)
Zhang, H.; Zheng, Y.; Wu, H.; Cao, L.
2013-01-01
A new 2D/1D coupling method based on the matrix MOC method (MMOC) and nodal expansion method (NEM) is proposed for solving the three-dimensional heterogeneous neutron transport problem. The MMOC method, used for radial two-dimensional calculation, constructs a response matrix between source and flux with only one sweep and then solves the linear system by using the restarted GMRES algorithm instead of the traditional trajectory sweeping process during within-group iteration for angular flux update. Long characteristics are generated by using the customization of commercial software AutoCAD. A one-dimensional diffusion calculation is carried out in the axial direction by employing the NEM method. The 2D and ID solutions are coupled through the transverse leakage items. The 3D CMFD method is used to ensure the global neutron balance and adjust the different convergence properties of the radial and axial solvers. A computational code is developed based on these theories. Two benchmarks are calculated to verify the coupling method and the code. It is observed that the corresponding numerical results agree well with references, which indicates that the new method is capable of solving the 3D heterogeneous neutron transport problem directly. (authors)
Energy Technology Data Exchange (ETDEWEB)
Gleicher, Frederick N.; Williamson, Richard L.; Ortensi, Javier; Wang, Yaqi; Spencer, Benjamin W.; Novascone, Stephen R.; Hales, Jason D.; Martineau, Richard C.
2014-10-01
The MOOSE neutron transport application RATTLESNAKE was coupled to the fuels performance application BISON to provide a higher fidelity tool for fuel performance simulation. This project is motivated by the desire to couple a high fidelity core analysis program (based on the self-adjoint angular flux equations) to a high fidelity fuel performance program, both of which can simulate on unstructured meshes. RATTLESNAKE solves self-adjoint angular flux transport equation and provides a sub-pin level resolution of the multigroup neutron flux with resonance treatment during burnup or a fast transient. BISON solves the coupled thermomechanical equations for the fuel on a sub-millimeter scale. Both applications are able to solve their respective systems on aligned and unaligned unstructured finite element meshes. The power density and local burnup was transferred from RATTLESNAKE to BISON with the MOOSE Multiapp transfer system. Multiple depletion cases were run with one-way data transfer from RATTLESNAKE to BISON. The eigenvalues are shown to agree well with values obtained from the lattice physics code DRAGON. The one-way data transfer of power density is shown to agree with the power density obtained from an internal Lassman-style model in BISON.
Wang, Jia; Hong, Huasheng; Jiang, Yuwu; Chai, Fei; Yan, Xiao-Hai
2013-09-01
In order to understand the fate of nutrients in the Taiwan Strait during summer, we built a coupled physical-biological numerical ocean model, which can capture the basic hydrographic and biological features within the strait. The nutrient that we chose to model is dissolved inorganic nitrogen (DIN). The model includes individual reservoirs for nitrate (NO3) and ammonium (NH4). Both the observational evidence and model results show that NO3 in the strait originates primarily from the upwelling subsurface water in the northern South China Sea (SCS) that enters the strait via the eastern and western routes separated by the Taiwan Bank. The coupled physical and biological effects on the NO3 transport at these two routes are highlighted in the study. For the western route, the shallow topography and the coastal upwelling intensify the biological uptake of NO3 in the whole water column. Consequently, the nitrogenous contribution by this route is mainly in form of the particulate organic nitrogen (PON). In contrast, NO3 is transported conservatively below the nitricline at the deep eastern route, contributing the whole NO3 supply in the TWS. The model estimates the fluxes of DIN and PON into the TWS, from the northern SCS, are 1.8 and 4 kmol s-1, respectively. Over half (˜1 kmol s-1) of the DIN is synthesized into PON by the phytoplankton in the strait. Overall, this study estimates the physical and biological effects on the nutrient transport in the TWS during summer.
Chen, Xi; Jiang, Ruan-Lei; Li, Jing; Ban, Yue; Sherman, E. Ya.
2018-01-01
We investigate fast transport and spin manipulation of tunable spin-orbit-coupled Bose-Einstein condensates in a moving harmonic trap. Motivated by the concept of shortcuts to adiabaticity, we design inversely the time-dependent trap position and spin-orbit-coupling strength. By choosing appropriate boundary conditions we obtain fast transport and spin flip simultaneously. The nonadiabatic transport and relevant spin dynamics are illustrated with numerical examples and compared with the adiabatic transport with constant spin-orbit-coupling strength and velocity. Moreover, the influence of nonlinearity induced by interatomic interaction is discussed in terms of the Gross-Pitaevskii approach, showing the robustness of the proposed protocols. With the state-of-the-art experiments, such an inverse engineering technique paves the way for coherent control of spin-orbit-coupled Bose-Einstein condensates in harmonic traps.
Macroscopic averages in Qed in material media
International Nuclear Information System (INIS)
Dutra, S.M.; Furuya, K.
1997-01-01
The starting point of macroscopic theories of quantum electrodynamics in material media is usually the classical macroscopic Maxwell equations that are then quantized. Such approach however, is based on the assumption that a macroscopic description is attainable, i.e., it assumes that we can describe the effect of the atoms of material on the field only in terms of a dielectric constant in the regime where the field has to be treated quantum mechanically. The problem we address is whether this assumption is valid at all and if so, under what conditions. We have chosen a simple model, which allows us to start from first principles and determine the validity of these approximations, without simply taking them for granted as in previous papers
Conversion of light into macroscopic helical motion
Iamsaard, Supitchaya; Aßhoff, Sarah J.; Matt, Benjamin; Kudernac, Tibor; Cornelissen, Jeroen J. L. M.; Fletcher, Stephen P.; Katsonis, Nathalie
2014-03-01
A key goal of nanotechnology is the development of artificial machines capable of converting molecular movement into macroscopic work. Although conversion of light into shape changes has been reported and compared to artificial muscles, real applications require work against an external load. Here, we describe the design, synthesis and operation of spring-like materials capable of converting light energy into mechanical work at the macroscopic scale. These versatile materials consist of molecular switches embedded in liquid-crystalline polymer springs. In these springs, molecular movement is converted and amplified into controlled and reversible twisting motions. The springs display complex motion, which includes winding, unwinding and helix inversion, as dictated by their initial shape. Importantly, they can produce work by moving a macroscopic object and mimicking mechanical movements, such as those used by plant tendrils to help the plant access sunlight. These functional materials have potential applications in micromechanical systems, soft robotics and artificial muscles.
Nonequilibrium work relation in a macroscopic system
International Nuclear Information System (INIS)
Sughiyama, Yuki; Ohzeki, Masayuki
2013-01-01
We reconsider a well-known relationship between the fluctuation theorem and the second law of thermodynamics by evaluating stochastic evolution of the density field (probability measure valued process). In order to establish a bridge between microscopic and macroscopic behaviors, we must take the thermodynamic limit of a stochastic dynamical system following the standard procedure in statistical mechanics. The thermodynamic path characterizing a dynamical behavior in the macroscopic scale can be formulated as an infimum of the action functional for the stochastic evolution of the density field. In our formulation, the second law of thermodynamics can be derived only by symmetry of the action functional without recourse to the Jarzynski equality. Our formulation leads to a nontrivial nonequilibrium work relation for metastable (quasi-stationary) states, which are peculiar in the macroscopic system. We propose a prescription for computing the free energy for metastable states based on the resultant work relation. (paper)
A Review on Macroscopic Pedestrian Flow Modelling
Directory of Open Access Journals (Sweden)
Anna Kormanová
2013-12-01
Full Text Available This paper reviews several various approaches to macroscopic pedestrian modelling. It describes hydrodynamic models based on similarity of pedestrian flow with fluids and gases; first-order flow models that use fundamental diagrams and conservation equation; and a model similar to LWR vehicular traffic model, which allows non-classical shocks. At the end of the paper there is stated a comparison of described models, intended to find appropriate macroscopic model to eventually be a part of a hybrid model. The future work of the author is outlined.
Macroscopic effects in attosecond pulse generation
International Nuclear Information System (INIS)
Ruchon, T; Varju, K; Mansten, E; Swoboda, M; L'Huillier, A; Hauri, C P; Lopez-Martens, R
2008-01-01
We examine how the generation and propagation of high-order harmonics in a partly ionized gas medium affect their strength and synchronization. The temporal properties of the resulting attosecond pulses generated in long gas targets can be significantly influenced by macroscopic effects, in particular by the intensity in the medium and the degree of ionization which control the dispersion. Under some conditions, the use of gas targets longer than the absorption length can lead to the generation of compressed attosecond pulses. We show these macroscopic effects experimentally, using a 6 mm-long argon-filled gas cell as the generating medium
Macroscopic effects in attosecond pulse generation
Energy Technology Data Exchange (ETDEWEB)
Ruchon, T; Varju, K; Mansten, E; Swoboda, M; L' Huillier, A [Department of Physics, Lund University, PO Box 118, SE-221 00 Lund (Sweden); Hauri, C P; Lopez-Martens, R [Laboratoire d' Optique Appliquee, Ecole Nationale Superieure des Techniques Avancees (ENSTA)-Ecole Polytechnique CNRS UMR 7639, 91761 Palaiseau (France)], E-mail: anne.lhuillier@fysik.lth.se
2008-02-15
We examine how the generation and propagation of high-order harmonics in a partly ionized gas medium affect their strength and synchronization. The temporal properties of the resulting attosecond pulses generated in long gas targets can be significantly influenced by macroscopic effects, in particular by the intensity in the medium and the degree of ionization which control the dispersion. Under some conditions, the use of gas targets longer than the absorption length can lead to the generation of compressed attosecond pulses. We show these macroscopic effects experimentally, using a 6 mm-long argon-filled gas cell as the generating medium.
De Rossi, María Cecilia; Wetzler, Diana E; Benseñor, Lorena; De Rossi, María Emilia; Sued, Mariela; Rodríguez, Daniela; Gelfand, Vladimir; Bruno, Luciana; Levi, Valeria
2017-12-01
Intracellular transport requires molecular motors that step along cytoskeletal filaments actively dragging cargoes through the crowded cytoplasm. Here, we explore the interplay of the opposed polarity motors kinesin-1 and cytoplasmic dynein during peroxisome transport along microtubules in Drosophila S2 cells. We used single particle tracking with nanometer accuracy and millisecond time resolution to extract quantitative information on the bidirectional motion of organelles. The transport performance was studied in cells expressing a slow chimeric plus-end directed motor or the kinesin heavy chain. We also analyzed the influence of peroxisomes membrane fluidity in methyl-β-ciclodextrin treated cells. The experimental data was also confronted with numerical simulations of two well-established tug of war scenarios. The velocity distributions of retrograde and anterograde peroxisomes showed a multimodal pattern suggesting that multiple motor teams drive transport in either direction. The chimeric motors interfered with the performance of anterograde transport and also reduced the speed of the slowest retrograde team. In addition, increasing the fluidity of peroxisomes membrane decreased the speed of the slowest anterograde and retrograde teams. Our results support the existence of a crosstalk between opposed-polarity motor teams. Moreover, the slowest teams seem to mechanically communicate with each other through the membrane to trigger transport. Copyright © 2017 Elsevier B.V. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Lovley, Derek R.
2012-10-31
This project successfully accomplished its goal of coupling genome-scale metabolic models with hydrological and geochemical models to predict the activity of subsurface microorganisms during uranium bioremediation. Furthermore, it was demonstrated how this modeling approach can be used to develop new strategies to optimize bioremediation. The approach of coupling genome-scale metabolic models with reactive transport modeling is now well enough established that it has been adopted by other DOE investigators studying uranium bioremediation. Furthermore, the basic principles developed during our studies will be applicable to much broader investigations of microbial activities, not only for other types of bioremediation, but microbial metabolism in diversity of environments. This approach has the potential to make an important contribution to predicting the impact of environmental perturbations on the cycling of carbon and other biogeochemical cycles.
International Nuclear Information System (INIS)
Cahalan, J.E.; Ama, T.; Palmiotti, G.; Taiwo, T.A.; Yang, W.S.
2000-01-01
The VARIANT-K and DIF3D-K nodal spatial kinetics computer codes have been coupled to the SAS4A and SASSYS-1 liquid metal reactor accident and systems analysis codes. SAS4A and SASSYS-1 have been extended with the addition of heavy liquid metal (Pb and Pb-Bi) thermophysical properties, heat transfer correlations, and fluid dynamics correlations. The coupling methodology and heavy liquid metal modeling additions are described. The new computer code suite has been applied to analysis of neutron source and thermal-hydraulics transients in a model of an accelerator-driven minor actinide burner design proposed in an OECD/NEA/NSC benchmark specification. Modeling assumptions and input data generation procedures are described. Results of transient analyses are reported, with emphasis on comparison of P1 and P3 variational nodal transport theory results with nodal diffusion theory results, and on significance of spatial kinetics effects
International Nuclear Information System (INIS)
Dimier, A.; Michau, N.; Montarnal, Ph.; Corrihons, F.
2003-01-01
Safety studies in a subsurface environment and in an underground waste disposal necessitate numerical tools for reactive transport modelling. In these systems, hydrogeological and chemical processes are closely related and their interdependence must be analysed to study migration of species. We will illustrate here the capacities of the Alliances tool to simulate such a phenomenology by studying the evolution of a clay/cement interface over time. The goal being defined, the two main employed software to build up a multidimensional tool have been chosen, namely PhreeqC and Chess for chemistry. A common model has been developed whose aim is to allow models comparison while switching between the chemistry tools. For transport, Castem and Mt3d-99 have been introduced with the same philosophy of structure. It is worth noting that other tools could be introduced, the only requirement being to satisfy the specific data-model and building up the appropriate methods. Qualification cases have been built up to define the platform application field. It has been defined with one and two dimensional cases enabling a comparison with analytic solutions or an intercomparison with other reactive transport codes. To illustrate this in the chemistry coupling field, we focus on a clay cement interface with an ion exchange linked to the Ca-montmorillonite. This case has been defined at ANDRA to be used as a reference test case for chemistry coupling validation. Results show a good agreement between platform results and whose of PhreeqC with its own internal coupling. The clay/cement interface is reproduced with the same accuracy
International Nuclear Information System (INIS)
Holland, C.; Kim, E.J.; Champeaux, S.; Gurcan, O.; Rosenbluth, M.N.; Diamond, P.H.; Tynan, G.R.; Nevins, W.; Candy, J.
2003-01-01
Understanding the physics of shear flow and structure formation in plasmas is a central problem for the advancement of magnetic fusion because of the roles such flows are believed to play in regulating turbulence and transport levels. In this paper, we report on integrated experimental, computational, and theoretical studies of sheared zonal flows and radially extended convective cells, with the aim of assessing the results of theory experiment and theory-simulation comparisons. In particular, simulations are used as test beds for verifying analytical predictions and demonstrating the suitability of techniques such as bispectral analysis for isolating nonlinear couplings in data. Based on intriguing initial results suggesting increased levels of nonlinear coupling occur during L-H transitions, we have undertaken a comprehensive study of bispectral quantities in fluid and gyrokinetic simulations, and compared these results with theoretical expectations. Topics of study include locality and directionality of energy transfer, amplitude scaling, and parameter dependences. Techniques for inferring nonlinear coupling coefficients from data are discussed, and initial results from experimental data are presented. Future experimental studies are motivated. We also present work investigating the role of structures in transport. Analysis of simulation data indicates that the turbulent heat flux can be represented as an ensemble of 'heat pulses' of varying sizes, with a power law distribution. The slope of the power law is shown to determine global transport scaling (i.e. Bohm or gyro-Bohm). Theoretical work studying the dynamics of the largest cells (termed 'streamers') is presented, as well as results from ongoing analysis studying connections between heat pulse distribution and bispectral quantities. (author)
Spin-orbit-coupled transport and spin torque in a ferromagnetic heterostructure
Wang, Xuhui; Ortiz Pauyac, Christian; Manchon, Aurelien
2014-01-01
Ferromagnetic heterostructures provide an ideal platform to explore the nature of spin-orbit torques arising from the interplay mediated by itinerant electrons between a Rashba-type spin-orbit coupling and a ferromagnetic exchange interaction. For such a prototypic system, we develop a set of coupled diffusion equations to describe the diffusive spin dynamics and spin-orbit torques. We characterize the spin torque and its two prominent—out-of-plane and in-plane—components for a wide range of relative strength between the Rashba coupling and ferromagnetic exchange. The symmetry and angular dependence of the spin torque emerging from our simple Rashba model is in an agreement with experiments. The spin diffusion equation can be generalized to incorporate dynamic effects such as spin pumping and magnetic damping.
Spin-orbit-coupled transport and spin torque in a ferromagnetic heterostructure
Wang, Xuhui
2014-02-07
Ferromagnetic heterostructures provide an ideal platform to explore the nature of spin-orbit torques arising from the interplay mediated by itinerant electrons between a Rashba-type spin-orbit coupling and a ferromagnetic exchange interaction. For such a prototypic system, we develop a set of coupled diffusion equations to describe the diffusive spin dynamics and spin-orbit torques. We characterize the spin torque and its two prominent—out-of-plane and in-plane—components for a wide range of relative strength between the Rashba coupling and ferromagnetic exchange. The symmetry and angular dependence of the spin torque emerging from our simple Rashba model is in an agreement with experiments. The spin diffusion equation can be generalized to incorporate dynamic effects such as spin pumping and magnetic damping.
Charge transport in 2DEG/s-wave superconductor junction with Dresselhaus-type spin-orbit coupling
International Nuclear Information System (INIS)
Sawa, Y.; Yokoyama, T.; Tanaka, Y.
2007-01-01
We study spin-dependent charge transport in superconducting junctions. We consider ballistic two-dimensional electron gas (2DEG)/s-wave superconductor junctions with Dresselhaus-type spin-orbit coupling (DSOC). We calculate the conductance normalized by that in the normal state of superconductor in order to study the effect of DSOC in 2DEG on conductance, changing the height of insulating barrier. We find the DSOC suppresses the conductance for low insulating barrier, while it can slightly enhance the conductance for high insulating barrier. It has a reentrant dependence on DSOC for middle strength insulating barrier. The effect of DSOC is weaken as the insulating barrier becomes high
Singh, Madhav K.; Jha, Pradeep K.; Bhattacherjee, Aranya B.
2017-09-01
In this article, we study the spin and tunneling dynamics as a function of magnetic field in a one-dimensional GaAs double quantum dot with both the Dresselhaus and Rashba spin-orbit coupling. In particular, we consider different spatial widths for the spin-up and spin-down electronic states. We find that the spin dynamics is a superposition of slow as well as fast Rabi oscillations. It is found that the Rashba interaction strength as well as the external magnetic field strongly modifies the slow Rabi oscillations which is particularly useful for implementing solid state selective spin transport device.
Luo, Zhaochu; Xiong, Chengyue; Zhang, Xu; Guo, Zhen-Gang; Cai, Jianwang; Zhang, Xiaozhong
2016-04-13
The anomalous Hall effect of a magnetic material is coupled to the nonlinear transport effect of a semiconductor material in a simple structure to achieve a large geometric magnetoresistance (MR) based on a diode-assisted mechanism. An extremely large MR (>10(4) %) at low magnetic fields (1 mT) is observed at room temperature. This MR device shows potential for use as a logic gate for the four basic Boolean logic operations. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
International Nuclear Information System (INIS)
Hoogenboom, J. Eduard
2003-01-01
Adjoint Monte Carlo may be a useful alternative to regular Monte Carlo calculations in cases where a small detector inhibits an efficient Monte Carlo calculation as only very few particle histories will cross the detector. However, in general purpose Monte Carlo codes, normally only the multigroup form of adjoint Monte Carlo is implemented. In this article the general methodology for continuous-energy adjoint Monte Carlo neutron transport is reviewed and extended for photon and coupled neutron-photon transport. In the latter cases the discrete photons generated by annihilation or by neutron capture or inelastic scattering prevent a direct application of the general methodology. Two successive reaction events must be combined in the selection process to accommodate the adjoint analog of a reaction resulting in a photon with a discrete energy. Numerical examples illustrate the application of the theory for some simplified problems
Energy Technology Data Exchange (ETDEWEB)
Shadid, J.N.; Tuminaro, R.S. [Sandia National Labs., Albuquerque, NM (United States); Walker, H.F. [Utah State Univ., Logan, UT (United States). Dept. of Mathematics and Statistics
1997-02-01
The solution of the governing steady transport equations for momentum, heat and mass transfer in flowing fluids can be very difficult. These difficulties arise from the nonlinear, coupled, nonsymmetric nature of the system of algebraic equations that results from spatial discretization of the PDEs. In this manuscript the authors focus on evaluating a proposed nonlinear solution method based on an inexact Newton method with backtracking. In this context they use a particular spatial discretization based on a pressure stabilized Petrov-Galerkin finite element formulation of the low Mach number Navier-Stokes equations with heat and mass transport. The discussion considers computational efficiency, robustness and some implementation issues related to the proposed nonlinear solution scheme. Computational results are presented for several challenging CFD benchmark problems as well as two large scale 3D flow simulations.
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)
Nioradze, Nikoloz; Kim, Jiyeon; Amemiya, Shigeru
2011-02-01
We report on a novel theory and experiment for scanning electrochemical microscopy (SECM) to enable quasi-steady-state voltammetry of rapid electron transfer (ET) reactions at macroscopic substrates. With this powerful approach, the substrate potential is cycled widely across the formal potential of a redox couple while the reactant or product of a substrate reaction is amperometrically detected at the tip in the feedback or substrate generation/tip collection mode, respectively. The plot of tip current versus substrate potential features the retraceable sigmoidal shape of a quasi-steady-state voltammogram although a transient voltammogram is obtained at the macroscopic substrate. Finite element simulations reveal that a short tip-substrate distance and a reversible substrate reaction (except under the tip) are required for quasi-steady-state voltammetry. Advantageously, a pair of quasi-steady-state voltammograms is obtained by employing both operation modes to reliably determine all transport, thermodynamic, and kinetic parameters as confirmed experimentally for rapid ET reactions of ferrocenemethanol and 7,7,8,8-tetracyanoquinodimethane at a Pt substrate with ∼0.5 μm-radius Pt tips positioned at 90 nm-1 μm distances. Standard ET rate constants of ∼7 cm/s were obtained for the latter mediator as the largest determined for a substrate reaction by SECM. Various potential applications of quasi-steady-state voltammetry are also proposed.
International Nuclear Information System (INIS)
Zheng, L.; Samper, J.
2005-01-01
Full text of publication follows: Double porosity, double permeability and dual continuum models (DCM) are widely used for modeling preferential water flow and mass transport in unsaturated and fractured media. Here we present a DCM of fully coupled non-isothermal multiphase flow and reactive transport model for the FEBEX compacted bentonite, a material which exhibits a double porosity behavior.. FEBEX (Full-scale Engineered Barrier EXperiment) is a demonstration and research project dealing with the bentonite engineered barrier designed for sealing and containment of a high level radioactive waste repository. Our DCM considers inter-aggregate macro-pores, and intra-aggregate and interlayer micro-pores. Two types of DCMs are tested: the dual continuum connected matrix (DCCM) and the dual continuum dis connected matrix (DCDM). Liquid flow in macro-pores is described with a mass conservation equation accounting for Darcian flow, chemical and thermal osmosis. In DCCM, water flux in micropores is calculated with a modified Darcy's law by adding a chemical osmosis term. A simple mass balance equation is used for DCDM which contains a storage and a water exchange term for water in micropores. A mixed type of water exchange term is adopted which includes a second order term accounting for water transfer due to the difference in liquid pressure and a first order term accounting for the gradient in chemical osmosis pressure. Equations of mass conservation for liquid, gas and heat in macro-pores and liquid mass conservation in micropores are solved by using a Newton-Raphson method. Two transport equations with a coupling interaction term are used to describe solute transport in macro- and micro-pores. The coupling term contains a first order diffusion term and a convection term (solute exchange due to water exchange). Transport equations as well as chemical reactions in the two domains are solved by means of a sequential iteration method. All these feature have been
International Nuclear Information System (INIS)
Bacon, Diana H.; White, Mark D.; McGrail, B PETER
2004-01-01
The U.S. Department of Energy must approve a performance assessment (PA) to support the design, construction, approval, and closure of disposal facilities for immobilized low-activity waste (ILAW) currently stored in underground tanks at Hanford, Washington. A critical component of the PA is to provide quantitative estimates of radionuclide release rates from the engineered portion of the disposal facilities. Computer simulations are essential for this purpose because impacts on groundwater resources must be projected to periods of 10,000 years and longer. The computer code selected for simulating the radionuclide release rates is the Subsurface Transport Over Reactive Multiphases (STORM) simulator. The STORM simulator solves coupled conservation equations for component mass and energy that describe subsurface flow over aqueous and gas phases through variably saturated geologic media. The resulting flow fields are used to sequentially solve conservation equations for reactive aqueous phase transport through variably saturated geologic media. These conservation equations for component mass, energy, and solute mass are partial differential equations that mathematically describe flow and transport through porous media. The STORM simulator solves the governing-conservation equations and constitutive functions using numerical techniques for nonlinear systems. The partial differential equations governing thermal and fluid flow processes are solved by the integral volume finite difference method. These governing equations are solved simultaneously using Newton-Raphson iteration. The partial differential equations governing reactive solute transport are solved using either an operator split technique where geochemical reactions and solute transport are solved separately, or a fully coupled technique where these equations are solved simultaneously. The STORM simulator is written in the FORTRAN 77 language, following American National Standards Institute (ANSI) standards
Sauerteig, Daniel; Hanselmann, Nina; Arzberger, Arno; Reinshagen, Holger; Ivanov, Svetlozar; Bund, Andreas
2018-02-01
The intercalation and aging induced volume changes of lithium-ion battery electrodes lead to significant mechanical pressure or volume changes on cell and module level. As the correlation between electrochemical and mechanical performance of lithium ion batteries at nano and macro scale requires a comprehensive and multidisciplinary approach, physical modeling accounting for chemical and mechanical phenomena during operation is very useful for the battery design. Since the introduced fully-coupled physical model requires proper parameterization, this work also focuses on identifying appropriate mathematical representation of compressibility as well as the ionic transport in the porous electrodes and the separator. The ionic transport is characterized by electrochemical impedance spectroscopy (EIS) using symmetric pouch cells comprising LiNi1/3Mn1/3Co1/3O2 (NMC) cathode, graphite anode and polyethylene separator. The EIS measurements are carried out at various mechanical loads. The observed decrease of the ionic conductivity reveals a significant transport limitation at high pressures. The experimentally obtained data are applied as input to the electrochemical-mechanical model of a prismatic 10 Ah cell. Our computational approach accounts intercalation induced electrode expansion, stress generation caused by mechanical boundaries, compression of the electrodes and the separator, outer expansion of the cell and finally the influence of the ionic transport within the electrolyte.
Cation Transport Coupled to ATP Hydrolysis by the (Na, K)-ATPase: An Integrated, Animated Model
Leone, Francisco A.; Furriel, Rosa P. M.; McNamara, John C.; Horisberger, Jean D.; Borin, Ivana A.
2010-01-01
An Adobe[R] animation is presented for use in undergraduate Biochemistry courses, illustrating the mechanism of Na[superscript +] and K[superscript +] translocation coupled to ATP hydrolysis by the (Na, K)-ATPase, a P[subscript 2c]-type ATPase, or ATP-powered ion pump that actively translocates cations across plasma membranes. The enzyme is also…
Macroscopic optical response and photonic bands
International Nuclear Information System (INIS)
Pérez-Huerta, J S; Luis Mochán, W; Ortiz, Guillermo P; Mendoza, Bernardo S
2013-01-01
We develop a formalism for the calculation of the macroscopic dielectric response of composite systems made of particles of one material embedded periodically within a matrix of another material, each of which is characterized by a well-defined dielectric function. The nature of these dielectric functions is arbitrary, and could correspond to dielectric or conducting, transparent or opaque, absorptive and dispersive materials. The geometry of the particles and the Bravais lattice of the composite are also arbitrary. Our formalism goes beyond the long-wavelength approximation as it fully incorporates retardation effects. We test our formalism through the study of the propagation of electromagnetic waves in two-dimensional photonic crystals made of periodic arrays of cylindrical holes in a dispersionless dielectric host. Our macroscopic theory yields a spatially dispersive macroscopic response which allows the calculation of the full photonic band structure of the system, as well as the characterization of its normal modes, upon substitution into the macroscopic field equations. We can also account approximately for the spatial dispersion through a local magnetic permeability and analyze the resulting dispersion relation, obtaining a region of left handedness. (paper)
Berkeley Experiments on Superfluid Macroscopic Quantum Effects
International Nuclear Information System (INIS)
Packard, Richard
2006-01-01
This paper provides a brief history of the evolution of the Berkeley experiments on macroscopic quantum effects in superfluid helium. The narrative follows the evolution of the experiments proceeding from the detection of single vortex lines to vortex photography to quantized circulation in 3He to Josephson effects and superfluid gyroscopes in both 4He and 3He
Macroscopic sizes of field of superrelativistic charges
International Nuclear Information System (INIS)
Strel'tsov, V.N.
1995-01-01
Based on the equation of Lienard-Wiechert equipotentials, it is shown that the field of superrelativistic charges reaches macroscopic sizes (e.g., R || = 2 m at E e = 50 GeV). This phenomenon serves an initial cause of the known considerable growth of formation length at high energies. 3 refs., 1 tab
On quantum mechanics for macroscopic systems
International Nuclear Information System (INIS)
Primas, H.
1992-01-01
The parable of Schroedinger's cat may lead to several up-to date questions: how to treat open systems in quantum theory, how to treat thermodynamically irreversible processes in the quantum mechanics framework, how to explain, following the quantum theory, the existence, phenomenologically evident, of classical observables, what implies the predicted existence by the quantum theory of non localized macroscopic material object ?
Yan, Zhifeng; Liu, Chongxuan; Liu, Yuanyuan; Bailey, Vanessa L.
2017-11-01
Biofilms are critical locations for biogeochemical reactions in the subsurface environment. The occurrence and distribution of biofilms at microscale as well as their impacts on macroscopic biogeochemical reaction rates are still poorly understood. This paper investigated the formation and distributions of biofilms in heterogeneous sediments using multiscale models and evaluated the effects of biofilm heterogeneity on local and macroscopic biogeochemical reaction rates. Sediment pore structures derived from X-ray computed tomography were used to simulate the microscale flow dynamics and biofilm distribution in the sediment column. The response of biofilm formation and distribution to the variations in hydraulic and chemical properties was first examined. One representative biofilm distribution was then utilized to evaluate its effects on macroscopic reaction rates using nitrate reduction as an example. The results revealed that microorganisms primarily grew on the surfaces of grains and aggregates near preferential flow paths where both electron donor and acceptor were readily accessible, leading to the heterogeneous distribution of biofilms in the sediments. The heterogeneous biofilm distribution decreased the macroscopic rate of biogeochemical reactions as compared with those in homogeneous cases. Operationally considering the heterogeneous biofilm distribution in macroscopic reactive transport models such as using dual porosity domain concept can significantly improve the prediction of biogeochemical reaction rates. Overall, this study provided important insights into the biofilm formation and distribution in soils and sediments as well as their impacts on the macroscopic manifestation of reaction rates.
Coupled flow and salinity transport modelling in semi-arid environments
DEFF Research Database (Denmark)
Bauer-Gottwein, Peter; Held, R.J.; Zimmermann, S.
2006-01-01
Numerical groundwater modelling is used as the base for sound aquifer system analysis and water resources assessment. In many cases, particularly in semi-arid and arid regions, groundwater flow is intricately linked to salinity transport. A case in point is the Shashe River Valley in Botswana. A ...
Coupled electron-phonon transport from molecular dynamics with quantum baths
DEFF Research Database (Denmark)
Lu, Jing Tao; Wang, J. S.
2009-01-01
Based on generalized quantum Langevin equations for the tight-binding wavefunction amplitudes and lattice displacements, electron and phonon quantum transport are obtained exactly using molecular dynamics (MD) in the ballistic regime. The electron-phonon interactions can be handled with a quasi...
COUPLED FREE AND DISSOLVED PHASE TRANSPORT: NEW SIMULATION CAPABILITIES AND PARAMETER INVERSION
The vadose zone free-phase simulation capabilities of the US EPA Hydrocarbon Spill Screening Model (HSSM) (Weaver et al., 1994) have been linked with the 3-D multi-species dissolved-phase contaminant transport simulator MT3DMS (Zheng and Wang, 1999; Zheng, 2005). The linkage pro...
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
Vionnet, V.; Martin, E.; Masson, V.; Guyomarc'h, G.; Naaim-Bouvet, F.; Prokop, A.; Durand, Y.; Lac, C.
2013-06-01
In alpine regions, wind-induced snow transport strongly influences the spatio-temporal evolution of the snow cover throughout the winter season. To gain understanding on the complex processes that drive the redistribution of snow, a new numerical model is developed. It couples directly the detailed snowpack model Crocus with the atmospheric model Meso-NH. Meso-NH/Crocus simulates snow transport in saltation and in turbulent suspension and includes the sublimation of suspended snow particles. A detailed representation of the first meters of the atmosphere allows a fine reproduction of the erosion and deposition process. The coupled model is evaluated against data collected around the experimental site of Col du Lac Blanc (2720 m a.s.l., French Alps). For this purpose, a blowing snow event without concurrent snowfall has been selected and simulated. Results show that the model captures the main structures of atmospheric flow in alpine terrain, the vertical profile of wind speed and the snow particles fluxes near the surface. However, the horizontal resolution of 50 m is found to be insufficient to simulate the location of areas of snow erosion and deposition observed by terrestrial laser scanning. When activated, the sublimation of suspended snow particles causes a reduction in deposition of 5.3%. Total sublimation (surface + blowing snow) is three times higher than surface sublimation in a simulation neglecting blowing snow sublimation.
Vionnet, V.; Martin, E.; Masson, V.; Guyomarc'h, G.; Naaim-Bouvet, F.; Prokop, A.; Durand, Y.; Lac, C.
2014-03-01
In alpine regions, wind-induced snow transport strongly influences the spatio-temporal evolution of the snow cover throughout the winter season. To gain understanding on the complex processes that drive the redistribution of snow, a new numerical model is developed. It directly couples the detailed snowpack model Crocus with the atmospheric model Meso-NH. Meso-NH/Crocus simulates snow transport in saltation and in turbulent suspension and includes the sublimation of suspended snow particles. The coupled model is evaluated against data collected around the experimental site of Col du Lac Blanc (2720 m a.s.l., French Alps). First, 1-D simulations show that a detailed representation of the first metres of the atmosphere is required to reproduce strong gradients of blowing snow concentration and compute mass exchange between the snowpack and the atmosphere. Secondly, 3-D simulations of a blowing snow event without concurrent snowfall have been carried out. Results show that the model captures the main structures of atmospheric flow in alpine terrain. However, at 50 m grid spacing, the model reproduces only the patterns of snow erosion and deposition at the ridge scale and misses smaller scale patterns observed by terrestrial laser scanning. When activated, the sublimation of suspended snow particles causes a reduction of deposited snow mass of 5.3% over the calculation domain. Total sublimation (surface + blowing snow) is three times higher than surface sublimation in a simulation neglecting blowing snow sublimation.
International Nuclear Information System (INIS)
Qiu Gang; Joshi, Abhijit S.; Dennison, C.R.; Knehr, K.W.; Kumbur, E.C.; Sun Ying
2012-01-01
The vanadium redox flow battery (VRFB) has emerged as a viable grid-scale energy storage technology that offers cost-effective energy storage solutions for renewable energy applications. In this paper, a novel methodology is introduced for modeling of the transport mechanisms of electrolyte flow, species and charge in the VRFB at the pore scale of the electrodes; that is, at the level where individual carbon fiber geometry and electrolyte flow are directly resolved. The detailed geometry of the electrode is obtained using X-ray computed tomography (XCT) and calibrated against experimentally determined pore-scale characteristics (e.g., pore and fiber diameter, porosity, and surface area). The processed XCT data is then used as geometry input for modeling of the electrochemical processes in the VRFB. The flow of electrolyte through the pore space is modeled using the lattice Boltzmann method (LBM) while the finite volume method (FVM) is used to solve the coupled species and charge transport and predict the performance of the VRFB under various conditions. An electrochemical model using the Butler–Volmer equations is used to provide species and charge coupling at the surfaces of the carbon fibers. Results are obtained for the cell potential distribution, as well as local concentration, overpotential and current density profiles under galvanostatic discharge conditions. The cell performance is investigated as a function of the electrolyte flow rate and external drawing current. The model developed here provides a useful tool for building the structure–property–performance relationship of VRFB electrodes.
Stimulation of Na+/K+ ATPase activity and Na+ coupled glucose transport by β-catenin
International Nuclear Information System (INIS)
Sopjani, Mentor; Alesutan, Ioana; Wilmes, Jan; Dermaku-Sopjani, Miribane; Lam, Rebecca S.; Koutsouki, Evgenia; Jakupi, Muharrem; Foeller, Michael; Lang, Florian
2010-01-01
Research highlights: → The oncogenic transcription factor β-catenin stimulates the Na + /K + -ATPase. → β-Catenin stimulates SGLT1 dependent Na + , glucose cotransport. → The effects are independent of transcription. → β-Catenin sensitive transport may contribute to properties of proliferating cells. -- Abstract: β-Catenin is a multifunctional protein stimulating as oncogenic transcription factor several genes important for cell proliferation. β-Catenin-regulated genes include the serum- and glucocorticoid-inducible kinase SGK1, which is known to stimulate a variety of transport systems. The present study explored the possibility that β-catenin influences membrane transport. To this end, β-catenin was expressed in Xenopus oocytes with or without SGLT1 and electrogenic transport determined by dual electrode voltage clamp. As a result, expression of β-catenin significantly enhanced the ouabain-sensitive current of the endogeneous Na + /K + -ATPase. Inhibition of vesicle trafficking by brefeldin A revealed that the stimulatory effect of β-catenin on the endogenous Na + /K + -ATPase was not due to enhanced stability of the pump protein in the cell membrane. Expression of β-catenin further enhanced glucose-induced current (Ig) in SGLT1-expressing oocytes. In the absence of SGLT1 Ig was negligible irrespective of β-catenin expression. The stimulating effect of β-catenin on both Na + /K + ATPase and SGLT1 activity was observed even in the presence of actinomycin D, an inhibitor of transcription. The experiments disclose a completely novel function of β-catenin, i.e. the regulation of transport.
Coupled Membrane Transport Parameters for Ionic Species in All-Vanadium Redox Flow Batteries
International Nuclear Information System (INIS)
Ashraf Gandomi, Yasser; Aaron, D.S.; Mench, M.M.
2016-01-01
Highlights: • Real-time crossover of vanadium species was investigated with a novel system. • Concentration and electrostatic potential gradient-induced crossover was separated. • Interaction coefficients were introduced to account for state of charge dependence. • Electric-field-induced crossover is asymmetric for charge and discharge processes. • Net vanadium crossover is from negative to positive half-cell at open-circuit. - Abstract: One of the major sources of capacity loss in all-vanadium redox flow batteries (VRFBs) is the undesired transport of active vanadium species across the ion-exchange membrane, generically termed crossover. In this work, a novel system has been designed and built to investigate the concentration- and electrostatic potential gradient-driven crossover for all vanadium species through the membrane in real-time. For this study, a perfluorosulphonic acid membrane separator (Nafion ® 117) was used. The test system utilizes ultraviolet/visible (UV/Vis) spectroscopy to differentiate vanadium ion species and separates contributions to crossover stemming from concentration and electrostatic potential gradients. It is shown that the rate of species transport through the ion-exchange membrane is state of charge dependent and, as a result, interaction coefficients have been deduced which can be used to better estimate expected crossover over a range of operating conditions. The electric field was shown to increase the negative-to-positive transport of V(II)/V(III) and suppress the positive-to-negative transport of V(IV)/V(V) during discharge, with an inverse trend during charging conditions. Electric-field-induced transport coefficients were deduced directly from experimental data.
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
Global weak solutions for coupled transport processes in concrete walls at high temperatures
Beneš, Michal; Štefan, Radek
2012-01-01
We consider an initial-boundary value problem for a fully nonlinear coupled parabolic system with nonlinear boundary conditions modelling hygro-thermal behavior of concrete at high temperatures. We prove a global existence of a weak solution to this system on an arbitrary time interval. The main result is proved by an approximation procedure. This consists in proving the existence of solutions to mollified problems using the Leray-Schauder theorem, for which a priori estimates are obtained. T...
Liao, Zeyang; Nha, Hyunchul; Zubairy, M. Suhail
2016-11-01
We develop a general dynamical theory for studying a single-photon transport in a one-dimensional (1D) waveguide coupled to multiple emitters which can be either identical or nonidentical. In this theory, both the effects of the waveguide and non-waveguide vacuum modes are included. This theory enables us to investigate the propagation of an emitter excitation or an arbitrary single-photon pulse along an array of emitters coupled to a 1D waveguide. The dipole-dipole interaction induced by the non-waveguide modes, which is usually neglected in the literature, can significantly modify the dynamics of the emitter system as well as the characteristics of the output field if the emitter separation is much smaller than the resonance wavelength. Nonidentical emitters can also strongly couple to each other if their energy difference is less than or of the order of the dipole-dipole energy shift. Interestingly, if their energy difference is close but nonzero, a very narrow transparency window around the resonance frequency can appear which does not occur for identical emitters. This phenomenon may find important applications in quantum waveguide devices such as optical switches and ultranarrow single-photon frequency comb generator.
International Nuclear Information System (INIS)
Ohtaka, Masahiko; Ohshima, Hiroyuki
1998-10-01
A whole core thermal-hydraulic analysis program ACT is being developed for the purpose of evaluating detailed in-core thermal hydraulic phenomena of fast reactors including inter-wrapper flow under various reactor operation conditions. In this work, the core module as a main part of the ACT developed last year, which simulates thermal-hydraulics in the subassemblies and the inter-subassembly gaps, was coupled with an one dimensional plant system thermal-hydraulic analysis code LEDHER to simulate transients in the primary heat transport system and to give appropriate boundary conditions to the core model. The effective algorithm to couple these two calculation modules was developed, which required minimum modification of them. In order to couple these two calculation modules on the computing system, parallel computing technique using PVM (Parallel Virtual Machine) programming environment was applied. The code system was applied to analyze an out-of-pile sodium experiment simulating core with 7 subassemblies under transient condition for code verification. It was confirmed that the analytical results show a similar tendency of experimental results. (author)
Semiclassical treatment of transport and spin relaxation in spin-orbit coupled systems
Energy Technology Data Exchange (ETDEWEB)
Lueffe, Matthias Clemens
2012-02-10
The coupling of orbital motion and spin, as derived from the relativistic Dirac equation, plays an important role not only in the atomic spectra but as well in solid state physics. Spin-orbit interactions are fundamental for the young research field of semiconductor spintronics, which is inspired by the idea to use the electron's spin instead of its charge for fast and power saving information processing in the future. However, on the route towards a functional spin transistor there is still some groundwork to be done, e.g., concerning the detailed understanding of spin relaxation in semiconductors. The first part of the present thesis can be placed in this context. We have investigated the processes contributing to the relaxation of a particularly long-lived spin-density wave, which can exist in semiconductor heterostructures with Dresselhaus and Rashba spin-orbit coupling of precisely the same magnitude. We have used a semiclassical spindiffusion equation to study the influence of the Coulomb interaction on the lifetime of this persistent spin helix. We have thus established that, in the presence of perturbations that violate the special symmetry of the problem, electron-electron scattering can have an impact on the relaxation of the spin helix. The resulting temperature-dependent lifetime reproduces the experimentally observed one in a satisfactory manner. It turns out that cubic Dresselhaus spin-orbit coupling is the most important symmetry-breaking element. The Coulomb interaction affects the dynamics of the persistent spin helix also via an Hartree-Fock exchange field. As a consequence, the individual spins precess about the vector of the surrounding local spin density, thus causing a nonlinear dynamics. We have shown that, for an experimentally accessible degree of initial spin polarization, characteristic non-linear effects such as a dramatic increase of lifetime and the appearance of higher harmonics can be expected. Another fascinating solid
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
Abiotic/biotic coupling in the rhizosphere: a reactive transport modeling analysis
Lawrence, Corey R.; Steefel, Carl; Maher, Kate
2014-01-01
A new generation of models is needed to adequately simulate patterns of soil biogeochemical cycling in response changing global environmental drivers. For example, predicting the influence of climate change on soil organic matter storage and stability requires models capable of addressing complex biotic/abiotic interactions of rhizosphere and weathering processes. Reactive transport modeling provides a powerful framework simulating these interactions and the resulting influence on soil physical and chemical characteristics. Incorporation of organic reactions in an existing reactive transport model framework has yielded novel insights into soil weathering and development but much more work is required to adequately capture root and microbial dynamics in the rhizosphere. This endeavor provides many advantages over traditional soil biogeochemical models but also many challenges.
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...
International Nuclear Information System (INIS)
Fang, Yilin; Scheibe, Timothy D.; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E.; Lovley, Derek R.
2011-01-01
The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species, multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The
Fang, Yilin; Scheibe, Timothy D; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E; Lovley, Derek R
2011-03-25
The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint-based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species and multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The
Fang, Yilin; Scheibe, Timothy D.; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E.; Lovley, Derek R.
2011-03-01
The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint-based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species and multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The
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.
International Nuclear Information System (INIS)
Chomat, L.
2008-04-01
The long term behavior of nuclear waste glass blocks depends highly on chemical reactions which occur at the surface in contact with water. Studies carried out on inactive fractured glass blocks show that fracture networks play a significant part in reactive surface area. Nevertheless, the complexity of results interpretation, due to a weak knowledge of fracture networks and local lixiviation conditions, does not allow us to comprehend the physical and chemical mechanisms involved. Model cracks are a key step to study chemical and transport coupling in fractured media. Crack lixiviation in aggressive conditions (pH≥11) show that the crack's position (horizontal or vertical) determines the dominant transport mechanism (respectively diffusion or convection induced by gravity). This gravity driven flow seems to be negligible in lower pH conditions. The convective velocity is estimated by a 1D model of reactive transport. Two other parameters are studied: the influence of thermal gradient and the influence of interconnected cracks on alteration. A strong retroactive effect of convection, due to thermal gradient, on the alteration kinetic is observed inside the crack. These works lead to a complete alteration experiment of a 163 crack network subject to a thermal gradient. The use of the geochemical software, HYTEC, within the framework of this study shows the potential of the software which is however limited by the kinetics law used. (author)
DEFF Research Database (Denmark)
Nielsen, Robert; Larsen, Erik Hviid
2007-01-01
(V) with a [Na+] of the transported fluid of 130+/-24 mM ([Na+]Ringer's solution = 117.4 mM). Addition of bumetanide to the inside solution reduced J(V). Water was transported uphill and J(V) reversed at an excess outside osmotic concentration, deltaC(S,rev) = 28.9+/-3.9 mOsm, amiloride decreased delta......C(S,rev) to 7.5+/-1.5 mOsm. It is concluded that water uptake is accomplished by osmotic coupling in the lateral intercellular space (lis), and hypothesized that a small fraction of the Na+ flux pumped into lis is recirculated via basolateral NKCC transporters.......Transepithelial potential (V(T)), conductance (G(T)), and water flow (J(V)) were measured simultaneously with good time resolution (min) in isolated toad (Bufo bufo) skin epithelium with Ringer on both sides. Inside application of 5 microM isoproterenol resulted in the fast increase in G(T) from 1...
DEFF Research Database (Denmark)
Broberg, M. L.; Holm, Rasmus Koldborg; Tønsberg, H
2012-01-01
BACKGROUND AND PURPOSE: Intestinal absorption via membrane transporters may determine the pharmacokinetics of drug compounds. The hypothesis is that oral absorption of gaboxadol (4, 5, 6, 7-tetrahydroisoxazolo [5,4-c] pyridine-3-ol) in rats occurs via the proton-coupled amino acid transporter, r....... The intestinal expression of rSlc36a1 mRNA was measured by quantitative real-time PCR (q-RT-PCR). Furthermore, the hPAT1-/rPAT1-mediated transport of gaboxadol or L-proline was studied in hPAT1-expressing X. laevis oocytes, Caco-2 cell monolayers and excised segments of the rat intestine. KEY RESULTS......). The in vitro carrier-mediated uptake rate of L-proline in the excised intestinal segments was highest in the mid jejunum and low in the colon. The in vitro uptake and the in vivo absorption correlated with the expression of rSlc36a1 mRNA along the rat intestine. CONCLUSIONS AND IMPLICATIONS: The results...
Macroscopic superposition states and decoherence by quantum telegraph noise
Energy Technology Data Exchange (ETDEWEB)
Abel, Benjamin Simon
2008-12-19
In the first part of the present thesis we address the question about the size of superpositions of macroscopically distinct quantum states. We propose a measure for the ''size'' of a Schroedinger cat state, i.e. a quantum superposition of two many-body states with (supposedly) macroscopically distinct properties, by counting how many single-particle operations are needed to map one state onto the other. We apply our measure to a superconducting three-junction flux qubit put into a superposition of clockwise and counterclockwise circulating supercurrent states and find this Schroedinger cat to be surprisingly small. The unavoidable coupling of any quantum system to many environmental degrees of freedom leads to an irreversible loss of information about an initially prepared superposition of quantum states. This phenomenon, commonly referred to as decoherence or dephasing, is the subject of the second part of the thesis. We have studied the time evolution of the reduced density matrix of a two-level system (qubit) subject to quantum telegraph noise which is the major source of decoherence in Josephson charge qubits. We are able to derive an exact expression for the time evolution of the reduced density matrix. (orig.)
Macroscopic superposition states and decoherence by quantum telegraph noise
International Nuclear Information System (INIS)
Abel, Benjamin Simon
2008-01-01
In the first part of the present thesis we address the question about the size of superpositions of macroscopically distinct quantum states. We propose a measure for the ''size'' of a Schroedinger cat state, i.e. a quantum superposition of two many-body states with (supposedly) macroscopically distinct properties, by counting how many single-particle operations are needed to map one state onto the other. We apply our measure to a superconducting three-junction flux qubit put into a superposition of clockwise and counterclockwise circulating supercurrent states and find this Schroedinger cat to be surprisingly small. The unavoidable coupling of any quantum system to many environmental degrees of freedom leads to an irreversible loss of information about an initially prepared superposition of quantum states. This phenomenon, commonly referred to as decoherence or dephasing, is the subject of the second part of the thesis. We have studied the time evolution of the reduced density matrix of a two-level system (qubit) subject to quantum telegraph noise which is the major source of decoherence in Josephson charge qubits. We are able to derive an exact expression for the time evolution of the reduced density matrix. (orig.)
Micro- and macroscopic photonic control of matter
Ryabtsev, Anton
This dissertation outlines the development of several methods and techniques that enable comprehensive control of laser-matter interactions and nonlinear optical processes using shaped femtosecond pulses. Manipulation of the spectral phases and amplitudes of femtosecond laser pulses provides an effective way to adjust laser parameters, both those intrinsic to pulse generation within a laser and those induced by laser-matter interactions. When coupled with a fundamental understanding of the interactions between a laser's electric field and the molecules in the propagation media, these methods make the behavior of laser pulses predictable and allow the experimental information they carry to be extracted accurately. The ultimate motivation is to enhance the accuracy and reproducibility of spectroscopic measurements and to control nonlinear processes during light-matter interaction using shaped femtosecond pulses. Ultrafast laser systems have become one of the most important scientific tools in femtochemistry, nanoscale material science, chemical detection and sensing, and many other applications where processes occur at femtosecond (fs, 10-15 of a second) timescales or when broad laser bandwidths are required. As with any measuring instrument, it is very important to know system's exact parameters in order to make meaningful, accurate and reproducible measurements. For ultrafast lasers, these parameters are the intensities of the spectral components, the spectral phase, the temporal profile, the pulse energy, and the spatial laser beam profile. Due to broadband nature of ultrafast laser sources, they are very sensitive to propagation media: gaseous, liquid or solid matter along the paths of laser pulses to the sample, including the material of the sample itself. Optical parameters describing the propagation media, such as linear and nonlinear dispersion, and birefringence, as well as physical parameters, such as temperature and pressure, all affect laser pulse
DEFF Research Database (Denmark)
Nøhr, Martha Kampp; Hansen, Steen Honore'; Brodin, Birger
2012-01-01
transporter hPAT1. The aim of the project was to identify if transporters are involved in cellular uptake of vigabatrin in Caco-2 cells. Methods: The uptake rate of vigabatrin was measured in Caco-2 cells at pH 6.0 or 7.4 for 15 min after application of 0.1 – 25.0 mM vigabatrin. The inhibitory effect...... of selected amino acids and -derivatives on the apical vigabatrin uptake in Caco-2 cells was investigated. Vigabatrin samples were analyzed using liquid chromatography (LC) coupled to a mass selective detector (MSD). Results: The uptake rate of vigabatrin in Caco-2 cells was pH-dependent. The uptake...... of vigabatrin was saturable at pH 6.0 with a Michaelis constant, Km of 12.7 ± 3.7 mM and a maximal flux, Jmax of 3.7 ± 0.5 nmol•min-1•cm-2. The presences of hPAT1 ligands significantly inhibited the uptake of vigabatrin in Caco-2 cells at pH 6.0, whereas hPAT1 non-ligands did not. Discussion: The saturability...
A faster numerical scheme for a coupled system modeling soil erosion and sediment transport
Le, M.-H.; Cordier, S.; Lucas, C.; Cerdan, O.
2015-02-01
Overland flow and soil erosion play an essential role in water quality and soil degradation. Such processes, involving the interactions between water flow and the bed sediment, are classically described by a well-established system coupling the shallow water equations and the Hairsine-Rose model. Numerical approximation of this coupled system requires advanced methods to preserve some important physical and mathematical properties; in particular, the steady states and the positivity of both water depth and sediment concentration. Recently, finite volume schemes based on Roe's solver have been proposed by Heng et al. (2009) and Kim et al. (2013) for one and two-dimensional problems. In their approach, an additional and artificial restriction on the time step is required to guarantee the positivity of sediment concentration. This artificial condition can lead the computation to be costly when dealing with very shallow flow and wet/dry fronts. The main result of this paper is to propose a new and faster scheme for which only the CFL condition of the shallow water equations is sufficient to preserve the positivity of sediment concentration. In addition, the numerical procedure of the erosion part can be used with any well-balanced and positivity preserving scheme of the shallow water equations. The proposed method is tested on classical benchmarks and also on a realistic configuration.
Macroscopic and non-linear quantum games
International Nuclear Information System (INIS)
Aerts, D.; D'Hooghe, A.; Posiewnik, A.; Pykacz, J.
2005-01-01
Full text: We consider two models of quantum games. The first one is Marinatto and Weber's 'restricted' quantum game in which only the identity and the spin-flip operators are used. We show that this quantum game allows macroscopic mechanistic realization with the use of a version of the 'macroscopic quantum machine' described by Aerts already in 1980s. In the second model we use non-linear quantum state transformations which operate on points of spin-1/2 on the Bloch sphere and which can be used to distinguish optimally between two non-orthogonal states. We show that efficiency of these non-linear strategies out-perform any linear ones. Some hints on the possible theory of non-linear quantum games are given. (author)
Bimodality in macroscopic dynamics of nuclear fission
International Nuclear Information System (INIS)
Bastrukov, S.I.; Salamatin, V.S.; Strteltsova, O.I.; Molodtsova, I.V.; Podgainy, D.V.; )
2000-01-01
The elastodynamic collective model of nuclear fission is outlined whose underlying idea is that the stiff structure of nuclear shells imparts to nucleus properties typical of a small piece of an elastic solid. Emphasis is placed on the macroscopic dynamics of nuclear deformations resulting in fission by two energetically different modes. The low-energy S-mode is the fission due to disruption of elongated quadrupole spheroidal shape. The characteristic features of the high-energy T-mode of division by means of torsional shear deformations is the compact scission configuration. Analytic and numerical estimates for the macroscopic fission-barrier heights are presented, followed by discussion of fingerprints of the above dynamical bimodality in the available data [ru
Linking the Power and Transport Sectors—Part 2: Modelling a Sector Coupling Scenario for Germany
Directory of Open Access Journals (Sweden)
Martin Robinius
2017-07-01
Full Text Available “Linking the power and transport sectors—Part 1” describes the general principle of “sector coupling” (SC, develops a working definition intended of the concept to be of utility to the international scientific community, contains a literature review that provides an overview of relevant scientific papers on this topic and conducts a rudimentary analysis of the linking of the power and transport sectors on a worldwide, EU and German level. The aim of this follow-on paper is to outline an approach to the modelling of SC. Therefore, a study of Germany as a case study was conducted. This study assumes a high share of renewable energy sources (RES contributing to the grid and significant proportion of fuel cell vehicles (FCVs in the year 2050, along with a dedicated hydrogen pipeline grid to meet hydrogen demand. To construct a model of this nature, the model environment “METIS” (models for energy transformation and integration systems we developed will be described in more detail in this paper. Within this framework, a detailed model of the power and transport sector in Germany will be presented in this paper and the rationale behind its assumptions described. Furthermore, an intensive result analysis for the power surplus, utilization of electrolysis, hydrogen pipeline and economic considerations has been conducted to show the potential outcomes of modelling SC. It is hoped that this will serve as a basis for researchers to apply this framework in future to models and analysis with an international focus.
Massoudieh, A.; Le, T.; Pachepsky, Y. A.
2014-12-01
E. coli is widely used as an fecal indicator bacteria in streams. It has been shown that the interaction between sediments and the bacteria is an important factor in determining its fate and transport in water bodies. In this presentation parameter estimation and uncertainty analysis of a mechanistic model of bacteria-sediment interaction respectively using a hybrid genetic algorithm and Makov-Chain Monte Carlo (MCMC) approach will be presented. The physically-based model considers the advective-dispersive transport of sediments as well as both free-floating and sediment-associated bacteria in the water column and also the fate and transport of bacteria in the bed sediments in a small stream. The bed sediments are treated as a distributed system which allows modeling the evolution of the vertical distribution of bacteria as a result of sedimentation and resuspension, diffusion and bioturbation in the sediments. One-dimensional St. Venant's equation is used to model flow in the stream. The model is applied to sediment and E. coli concentration data collected during a high flow event in a small stream historically receiving agricultural runoff. Measured total suspended sediments and total E. coli concentrations in the water column at three sections of the stream are used for the parameter estimation. The data on the initial distribution of E. coli in the sediments was available and was used as the initial conditions. The MCMC method is used to estimate the joint probability distribution of model parameters including sediment deposition and erosion rates, critical shear stress for deposition and erosion, attachment and detachment rate constants of E. coli to/from sediments and also the effective diffusion coefficients of E. coli in the bed sediments. The uncertainties associated with the estimated parameters are quantified via the MCMC approach and the correlation between the posterior distribution of parameters have been used to assess the model adequacy and
Macroscopic Quantum Resonators (MAQRO): 2015 update
International Nuclear Information System (INIS)
Kaltenbaek, Rainer; Aspelmeyer, Markus; Kiesel, Nikolai; Barker, Peter F.; Bose, Sougato; Bassi, Angelo; Bateman, James; Bongs, Kai; Cruise, Adrian Michael; Braxmaier, Claus; Brukner, Caslav; Christophe, Bruno; Rodrigues, Manuel; Chwalla, Michael; Johann, Ulrich; Cohadon, Pierre-Francois; Heidmann, Antoine; Lambrecht, Astrid; Reynaud, Serge; Curceanu, Catalina; Dholakia, Kishan; Mazilu, Michael; Diosi, Lajos; Doeringshoff, Klaus; Peters, Achim; Ertmer, Wolfgang; Rasel, Ernst M.; Gieseler, Jan; Novotny, Lukas; Rondin, Loic; Guerlebeck, Norman; Herrmann, Sven; Laemmerzahl, Claus; Hechenblaikner, Gerald; Hossenfelder, Sabine; Kim, Myungshik; Milburn, Gerard J.; Mueller, Holger; Paternostro, Mauro; Pikovski, Igor; Pilan Zanoni, Andre; Riedel, Charles Jess; Roura, Albert; Schleich, Wolfgang P.; Schmiedmayer, Joerg; Schuldt, Thilo; Schwab, Keith C.; Tajmar, Martin; Tino, Guglielmo M.; Ulbricht, Hendrik; Ursin, Rupert; Vedral, Vlatko
2016-01-01
Do the laws of quantum physics still hold for macroscopic objects - this is at the heart of Schroedinger's cat paradox - or do gravitation or yet unknown effects set a limit for massive particles? What is the fundamental relation between quantum physics and gravity? Ground-based experiments addressing these questions may soon face limitations due to limited free-fall times and the quality of vacuum and microgravity. The proposed mission Macroscopic Quantum Resonators (MAQRO) may overcome these limitations and allow addressing such fundamental questions. MAQRO harnesses recent developments in quantum optomechanics, high-mass matter-wave interferometry as well as state-of-the-art space technology to push macroscopic quantum experiments towards their ultimate performance limits and to open new horizons for applying quantum technology in space. The main scientific goal is to probe the vastly unexplored 'quantum-classical' transition for increasingly massive objects, testing the predictions of quantum theory for objects in a size and mass regime unachievable in ground-based experiments. The hardware will largely be based on available space technology. Here, we present the MAQRO proposal submitted in response to the 4th Cosmic Vision call for a medium-sized mission (M4) in 2014 of the European Space Agency (ESA) with a possible launch in 2025, and we review the progress with respect to the original MAQRO proposal for the 3rd Cosmic Vision call for a medium-sized mission (M3) in 2010. In particular, the updated proposal overcomes several critical issues of the original proposal by relying on established experimental techniques from high-mass matter-wave interferometry and by introducing novel ideas for particle loading and manipulation. Moreover, the mission design was improved to better fulfill the stringent environmental requirements for macroscopic quantum experiments. (orig.)
Macroscopic Quantum Resonators (MAQRO): 2015 update
Energy Technology Data Exchange (ETDEWEB)
Kaltenbaek, Rainer [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Aspelmeyer, Markus; Kiesel, Nikolai [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Barker, Peter F.; Bose, Sougato [University College London, Department of Physics and Astronomy, London (United Kingdom); Bassi, Angelo [University of Trieste, Department of Physics, Trieste (Italy); INFN - Trieste Section, Trieste (Italy); Bateman, James [University of Swansea, Department of Physics, College of Science, Swansea (United Kingdom); Bongs, Kai; Cruise, Adrian Michael [University of Birmingham, School of Physics and Astronomy, Birmingham (United Kingdom); Braxmaier, Claus [University of Bremen, Center of Applied Space Technology and Micro Gravity (ZARM), Bremen (Germany); Institute of Space Systems, German Aerospace Center (DLR), Bremen (Germany); Brukner, Caslav [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Austrian Academy of Sciences, Institute of Quantum Optics and Quantum Information (IQOQI), Vienna (Austria); Christophe, Bruno; Rodrigues, Manuel [The French Aerospace Lab, ONERA, Chatillon (France); Chwalla, Michael; Johann, Ulrich [Airbus Defence and Space GmbH, Immenstaad (Germany); Cohadon, Pierre-Francois; Heidmann, Antoine; Lambrecht, Astrid; Reynaud, Serge [ENS-PSL Research University, Laboratoire Kastler Brossel, UPMC-Sorbonne Universites, CNRS, College de France, Paris (France); Curceanu, Catalina [Laboratori Nazionali di Frascati dell' INFN, Frascati (Italy); Dholakia, Kishan; Mazilu, Michael [University of St. Andrews, School of Physics and Astronomy, St. Andrews (United Kingdom); Diosi, Lajos [Wigner Research Center for Physics, P.O. Box 49, Budapest (Hungary); Doeringshoff, Klaus; Peters, Achim [Humboldt-Universitaet zu Berlin, Institut fuer Physik, Berlin (Germany); Ertmer, Wolfgang; Rasel, Ernst M. [Leibniz Universitaet Hannover, Institut fuer Quantenoptik, Hannover (Germany); Gieseler, Jan; Novotny, Lukas; Rondin, Loic [ETH Zuerich, Photonics Laboratory, Zuerich (Switzerland); Guerlebeck, Norman; Herrmann, Sven; Laemmerzahl, Claus [University of Bremen, Center of Applied Space Technology and Micro Gravity (ZARM), Bremen (Germany); Hechenblaikner, Gerald [Airbus Defence and Space GmbH, Immenstaad (Germany); European Southern Observatory (ESO), Garching bei Muenchen (Germany); Hossenfelder, Sabine [KTH Royal Institute of Technology and Stockholm University, Nordita, Stockholm (Sweden); Kim, Myungshik [Imperial College London, QOLS, Blackett Laboratory, London (United Kingdom); Milburn, Gerard J. [University of Queensland, ARC Centre for Engineered Quantum Systems, Brisbane (Australia); Mueller, Holger [University of California, Department of Physics, Berkeley, CA (United States); Paternostro, Mauro [Queen' s University, Centre for Theoretical Atomic, Molecular and Optical Physics, School of Mathematics and Physics, Belfast (United Kingdom); Pikovski, Igor [Harvard-Smithsonian Center for Astrophysics, ITAMP, Cambridge, MA (United States); Pilan Zanoni, Andre [Airbus Defence and Space GmbH, Immenstaad (Germany); CERN - European Organization for Nuclear Research, EN-STI-TCD, Geneva (Switzerland); Riedel, Charles Jess [Perimeter Institute for Theoretical Physics, Waterloo, ON (Canada); Roura, Albert [Universitaet Ulm, Institut fuer Quantenphysik, Ulm (Germany); Schleich, Wolfgang P. [Universitaet Ulm, Institut fuer Quantenphysik, Ulm (Germany); Texas A and M University Institute for Advanced Study (TIAS), Institute for Quantum Science and Engineering (IQSE), and Department of Physics and Astronomy, College Station, TX (United States); Schmiedmayer, Joerg [Vienna University of Technology, Vienna Center for Quantum Science and Technology, Institute of Atomic and Subatomic Physics, Vienna (Austria); Schuldt, Thilo [Institute of Space Systems, German Aerospace Center (DLR), Bremen (Germany); Schwab, Keith C. [California Institute of Technology, Applied Physics, Pasadena, CA (United States); Tajmar, Martin [Technische Universitaet Dresden, Institut fuer Luft- und Raumfahrttechnik, Dresden (Germany); Tino, Guglielmo M. [Universita di Firenze, Dipartimento di Fisica e Astronomia and LENS, INFN, Sesto Fiorentino, Firenze (Italy); Ulbricht, Hendrik [University of Southampton, Physics and Astronomy, Southampton (United Kingdom); Ursin, Rupert [Austrian Academy of Sciences, Institute of Quantum Optics and Quantum Information (IQOQI), Vienna (Austria); Vedral, Vlatko [University of Oxford, Atomic and Laser Physics, Clarendon Laboratory, Oxford (United Kingdom); National University of Singapore, Center for Quantum Technologies, Singapore (SG)
2016-12-15
Do the laws of quantum physics still hold for macroscopic objects - this is at the heart of Schroedinger's cat paradox - or do gravitation or yet unknown effects set a limit for massive particles? What is the fundamental relation between quantum physics and gravity? Ground-based experiments addressing these questions may soon face limitations due to limited free-fall times and the quality of vacuum and microgravity. The proposed mission Macroscopic Quantum Resonators (MAQRO) may overcome these limitations and allow addressing such fundamental questions. MAQRO harnesses recent developments in quantum optomechanics, high-mass matter-wave interferometry as well as state-of-the-art space technology to push macroscopic quantum experiments towards their ultimate performance limits and to open new horizons for applying quantum technology in space. The main scientific goal is to probe the vastly unexplored 'quantum-classical' transition for increasingly massive objects, testing the predictions of quantum theory for objects in a size and mass regime unachievable in ground-based experiments. The hardware will largely be based on available space technology. Here, we present the MAQRO proposal submitted in response to the 4th Cosmic Vision call for a medium-sized mission (M4) in 2014 of the European Space Agency (ESA) with a possible launch in 2025, and we review the progress with respect to the original MAQRO proposal for the 3rd Cosmic Vision call for a medium-sized mission (M3) in 2010. In particular, the updated proposal overcomes several critical issues of the original proposal by relying on established experimental techniques from high-mass matter-wave interferometry and by introducing novel ideas for particle loading and manipulation. Moreover, the mission design was improved to better fulfill the stringent environmental requirements for macroscopic quantum experiments. (orig.)
Special relativity - the foundation of macroscopic physics
International Nuclear Information System (INIS)
Dixon, W.G.
1978-01-01
This book aims to show that an understanding of the basic laws of macroscopic systems can be gained more easily within relativistic physics than within Newtonian physics. The unity of dynamics, thermodynamics and electromagnetism under the umbrella of special relativity is examined under chapter headings entitled: the physics of space and time, affine spaces in mathematics and physics, foundations of dynamics, relativistic simple fluids, and, electrodynamics of polarizable fluids. (U.K.)
Testing quantum behaviour at the macroscopic level
International Nuclear Information System (INIS)
Ghirardi, G.C.
1994-07-01
We reconsider recent proposals to test macro realism versus quantum mechanics in experiments involving noninvasive measurement processes on a Squid. In spite of the fact that we are able to prove that the proposed experiments do not represent a test of macro realism but simply of macroscopic quantum coherence we call attention to their extreme conceptual relevance. We also discuss some recent criticisms which have been raised against the considered proposal and we show that they are not relevant. (author). 12 refs
Microscopic and macroscopic models for pedestrian crowds
Makmul, Juntima
2016-01-01
This thesis is concerned with microscopic and macroscopic models for pedes- trian crowds. In the first chapter, we consider pedestrians exit choices and model human behaviour in an evacuation process. Two microscopic models, discrete and continuous, are studied in this chapter. The former is a cellular automaton model and the latter is a social force model. Different numerical test cases are investigated and their results are compared. In chapter 2, a hierarchy of models for...
Thermomechanical macroscopic model of shape memory alloys
International Nuclear Information System (INIS)
Volkov, A.E.; Sakharov, V.Yu.
2003-01-01
The phenomenological macroscopic model of the mechanical behaviour of the titanium nickelide-type shape memory alloys is proposed. The model contains as a parameter the average phase shear deformation accompanying the martensite formation. It makes i possible to describe correctly a number of functional properties of the shape memory alloys, in particular, the pseudoelasticity ferroplasticity, plasticity transformation and shape memory effects in the stressed and unstressed samples [ru
Macroscopic behaviour of a charged Boltzmann gas
International Nuclear Information System (INIS)
Banyai, L.; Gartner, P.; Protopopescu, V.
1980-08-01
We consider a classical charged gas (with self-consistent Coulomb interaction) described by a solvable linearized Boltzman equation with thermaljzation on unifopmly distributed scatterers. It is shown that jf one scales the time t, the reciprocal space coordinate k vector and the Debye length l as lambda 2 t, k vector/lambda, lambda l respectively, in the lambda→infinity limit the charge density is equal to the solution of the corresponding diffusion-conduction (macroscopic) equation. (author)
Li, Zhongjun; Chen, Shi; Sun, Jiuyu; Li, Xingxing; Qiu, Huaili; Yang, Jinlong
2018-02-01
Coupling interaction between the bottom and top surface electronic states and the influence on transport and optical properties of Bi2Se3 thin films with 1-8 quintuple layers (QLs) have been investigated by first principles calculations. Obvious spatial and thickness dependences of coupling interaction are found by analyzing hybridization of two surface states. In the thin film with a certain thickness, from the outer to inner atomic layers, the coupling interaction exhibits an increasing trend. On the other hand, as thickness increases, the coupling interaction shows a disproportionate decrease trend. Moreover, the system with 3 QLs exhibits stronger interaction than that with 2 QLs. The presence of coupling interaction would suppress destructive interference of surface states and enhance resistance in various degrees. In view of the inversely proportional relation to transport channel width, the resistance of thin films should show disproportionate thickness dependence. This prediction is qualitatively consistent with the transport measurements at low temperature. Furthermore, the optical properties also exhibit obvious thickness dependence. Especially as the thickness increases, the coupling interaction results in red and blue shifts of the multiple-peak structures in low and high energy regions of imaginary dielectric function, respectively. The red shift trend is in agreement with the recent experimental observation and the blue shift is firstly predicted by the present calculation. The present results give a concrete understanding of transport and optical properties in devices based on Bi2Se3 thin films with few QLs.
Parameterized representation of macroscopic cross section for PWR reactor
International Nuclear Information System (INIS)
Fiel, João Cláudio Batista; Carvalho da Silva, Fernando; Senra Martinez, Aquilino; Leal, Luiz C.
2015-01-01
Highlights: • This work describes a parameterized representation of the homogenized macroscopic cross section for PWR reactor. • Parameterization enables a quick determination of problem-dependent cross-sections to be used in few group calculations. • This work allows generating group cross-section data to perform PWR core calculations without computer code calculations. - Abstract: The purpose of this work is to describe, by means of Chebyshev polynomials, a parameterized representation of the homogenized macroscopic cross section for PWR fuel element as a function of soluble boron concentration, moderator temperature, fuel temperature, moderator density and 235 92 U enrichment. The cross-section data analyzed are fission, scattering, total, transport, absorption and capture. The parameterization enables a quick and easy determination of problem-dependent cross-sections to be used in few group calculations. The methodology presented in this paper will allow generation of group cross-section data from stored polynomials to perform PWR core calculations without the need to generate them based on computer code calculations using standard steps. The results obtained by the proposed methodology when compared with results from the SCALE code calculations show very good agreement
Scanner-based macroscopic color variation estimation
Kuo, Chunghui; Lai, Di; Zeise, Eric
2006-01-01
Flatbed scanners have been adopted successfully in the measurement of microscopic image artifacts, such as granularity and mottle, in print samples because of their capability of providing full color, high resolution images. Accurate macroscopic color measurement relies on the use of colorimeters or spectrophotometers to provide a surrogate for human vision. The very different color response characteristics of flatbed scanners from any standard colorimetric response limits the utility of a flatbed scanner as a macroscopic color measuring device. This metamerism constraint can be significantly relaxed if our objective is mainly to quantify the color variations within a printed page or between pages where a small bias in measured colors can be tolerated as long as the color distributions relative to the individual mean values is similar. Two scenarios when converting color from the device RGB color space to a standardized color space such as CIELab are studied in this paper, blind and semi-blind color transformation, depending on the availability of the black channel information. We will show that both approaches offer satisfactory results in quantifying macroscopic color variation across pages while the semi-blind color transformation further provides fairly accurate color prediction capability.
A midway forward-adjoint coupling method for neutron and photon Monte Carlo transport
International Nuclear Information System (INIS)
Serov, I.V.; John, T.M.; Hoogenboom, J.E.
1999-01-01
The midway Monte Carlo method for calculating detector responses combines a forward and an adjoint Monte Carlo calculation. In both calculations, particle scores are registered at a surface to be chosen by the user somewhere between the source and detector domains. The theory of the midway response determination is developed within the framework of transport theory for external sources and for criticality theory. The theory is also developed for photons, which are generated at inelastic scattering or capture of neutrons. In either the forward or the adjoint calculation a so-called black absorber technique can be applied; i.e., particles need not be followed after passing the midway surface. The midway Monte Carlo method is implemented in the general-purpose MCNP Monte Carlo code. The midway Monte Carlo method is demonstrated to be very efficient in problems with deep penetration, small source and detector domains, and complicated streaming paths. All the problems considered pose difficult variance reduction challenges. Calculations were performed using existing variance reduction methods of normal MCNP runs and using the midway method. The performed comparative analyses show that the midway method appears to be much more efficient than the standard techniques in an overwhelming majority of cases and can be recommended for use in many difficult variance reduction problems of neutral particle transport
Two-dimensional model of coupled heat and moisture transport in frost-heaving soils
International Nuclear Information System (INIS)
Guymon, G.L.; Berg, R.L.; Hromadka, T.V.
1984-01-01
A two-dimensional model of coupled heat and moisture flow in frost-heaving soils is developed based upon well known equations of heat and moisture flow in soils. Numerical solution is by the nodal domain integration method which includes the integrated finite difference and the Galerkin finite element methods. Solution of the phase change process is approximated by an isothermal approach and phenomenological equations are assumed for processes occurring in freezing or thawing zones. The model has been verified against experimental one-dimensional freezing soil column data and experimental two-dimensional soil thawing tank data as well as two-dimensional soil seepage data. The model has been applied to several simple but useful field problems such as roadway embankment freezing and frost heaving
Upscaling the Coupled Water and Heat Transport in the Shallow Subsurface
Sviercoski, R. F.; Efendiev, Y.; Mohanty, B. P.
2018-02-01
Predicting simultaneous movement of liquid water, water vapor, and heat in the shallow subsurface has many practical interests. The demand for multidimensional multiscale models for this region is important given: (a) the critical role that these processes play in the global water and energy balances, (b) that more data from air-borne and space-borne sensors are becoming available for parameterizations of modeling efforts. On the other hand, numerical models that consider spatial variations of the soil properties, termed here as multiscale, are prohibitively expensive. Thus, there is a need for upscaled models that take into consideration these features, and be computationally affordable. In this paper, a multidimensional multiscale model coupling the water flow and heat transfer and its respective upscaled version are proposed. The formulation is novel as it describes the multidimensional and multiscale tensorial versions of the hydraulic conductivity and the vapor diffusivity, taking into account the tortuosity and porosity properties of the medium. It also includes the coupling with the energy balance equation as a boundary describing atmospheric influences at the shallow subsurface. To demonstrate the accuracy of both models, comparisons were made between simulation and field experiments for soil moisture and temperature at 2, 7, and 12 cm deep, during 11 days. The root-mean-square errors showed that the upscaled version of the system captured the multiscale features with similar accuracy. Given the good matching between simulated and field data for near-surface soil temperature, the results suggest that it can be regarded as a 1-D variable.
Down-Regulation of the Na+-Coupled Phosphate Transporter NaPi-IIa by AMP-Activated Protein Kinase
Directory of Open Access Journals (Sweden)
Miribane Dërmaku-Sopjani
2013-11-01
Full Text Available Background/Aims: The Na+-coupled phosphate transporter NaPi-IIa is the main carrier accomplishing renal tubular phosphate reabsorption. It is driven by the electrochemical Na+ gradient across the apical cell membrane, which is maintained by Na+ extrusion across the basolateral cell membrane through the Na+/K+ ATPase. The operation of NaPi-IIa thus requires energy in order to avoid cellular Na+ accumulation and K+ loss with eventual decrease of cell membrane potential, Cl- entry and cell swelling. Upon energy depletion, early inhibition of Na+-coupled transport processes may delay cell swelling and thus foster cell survival. Energy depletion is sensed by the AMP-activated protein kinase (AMPK, a serine/threonine kinase stimulating several cellular mechanisms increasing energy production and limiting energy utilization. The present study explored whether AMPK influences the activity of NAPi-IIa. Methods: cRNA encoding NAPi-IIa was injected into Xenopus oocytes with or without additional expression of wild-type AMPK (AMPKα1-HA+AMPKβ1-Flag+AMPKγ1-HA, of inactive AMPKαK45R (AMPKα1K45R+AMPKβ1-Flag+AMPKγ1-HA or of constitutively active AMPKγR70Q (AMPKα1-HA+AMPKβ1-Flag+AMPKγ1R70Q. NaPi-IIa activity was estimated from phosphate-induced current in dual electrode voltage clamp experiments. Results: In NaPi-IIa-expressing, but not in water-injected Xenopus oocytes, the addition of phosphate (1 mM to the extracellular bath solution generated a current (Ip, which was significantly decreased by coexpression of wild-type AMPK and of AMPKγR70Q but not of AMPKαK45R. The phosphate-induced current in NaPi-IIa- and AMPK-expressing Xenopus ooocytes was significantly increased by AMPK inhibitor Compound C (20 µM. Kinetic analysis revealed that AMPK significantly decreased the maximal transport rate. Conclusion: The AMP-activated protein kinase AMPK is a powerful regulator of NaPi-IIa and thus of renal tubular phosphate transport.
Wu, Min; Frieboes, Hermann B; Chaplain, Mark A J; McDougall, Steven R; Cristini, Vittorio; Lowengrub, John S
2014-08-21
Vascularized tumor growth is characterized by both abnormal interstitial fluid flow and the associated interstitial fluid pressure (IFP). Here, we study the effect that these conditions have on the transport of therapeutic agents during chemotherapy. We apply our recently developed vascular tumor growth model which couples a continuous growth component with a discrete angiogenesis model to show that hypertensive IFP is a physical barrier that may hinder vascular extravasation of agents through transvascular fluid flux convection, which drives the agents away from the tumor. This result is consistent with previous work using simpler models without blood flow or lymphatic drainage. We consider the vascular/interstitial/lymphatic fluid dynamics to show that tumors with larger lymphatic resistance increase the agent concentration more rapidly while also experiencing faster washout. In contrast, tumors with smaller lymphatic resistance accumulate less agents but are able to retain them for a longer time. The agent availability (area-under-the curve, or AUC) increases for less permeable agents as lymphatic resistance increases, and correspondingly decreases for more permeable agents. We also investigate the effect of vascular pathologies on agent transport. We show that elevated vascular hydraulic conductivity contributes to the highest AUC when the agent is less permeable, but to lower AUC when the agent is more permeable. We find that elevated interstitial hydraulic conductivity contributes to low AUC in general regardless of the transvascular agent transport capability. We also couple the agent transport with the tumor dynamics to simulate chemotherapy with the same vascularized tumor under different vascular pathologies. We show that tumors with an elevated interstitial hydraulic conductivity alone require the strongest dosage to shrink. We further show that tumors with elevated vascular hydraulic conductivity are more hypoxic during therapy and that the response
Pathways toward understanding Macroscopic Quantum Phenomena
International Nuclear Information System (INIS)
Hu, B L; Subaşi, Y
2013-01-01
Macroscopic quantum phenomena refer to quantum features in objects of 'large' sizes, systems with many components or degrees of freedom, organized in some ways where they can be identified as macroscopic objects. This emerging field is ushered in by several categories of definitive experiments in superconductivity, electromechanical systems, Bose-Einstein condensates and others. Yet this new field which is rich in open issues at the foundation of quantum and statistical physics remains little explored theoretically (with the important exception of the work of A J Leggett [1], while touched upon or implied by several groups of authors represented in this conference. Our attitude differs in that we believe in the full validity of quantum mechanics stretching from the testable micro to meso scales, with no need for the introduction of new laws of physics.) This talk summarizes our thoughts in attempting a systematic investigation into some key foundational issues of quantum macroscopic phenomena, with the goal of ultimately revealing or building a viable theoretical framework. Three major themes discussed in three intended essays are the large N expansion [2], the correlation hierarchy [3] and quantum entanglement [4]. We give a sketch of the first two themes and then discuss several key issues in the consideration of macro and quantum, namely, a) recognition that there exist many levels of structure in a composite body and only by judicious choice of an appropriate set of collective variables can one give the best description of the dynamics of a specific level of structure. Capturing the quantum features of a macroscopic object is greatly facilitated by the existence and functioning of these collective variables; b) quantum entanglement, an exclusively quantum feature [5], is known to persist to high temperatures [6] and large scales [7] under certain conditions, and may actually decrease with increased connectivity in a quantum network [8]. We use entanglement as a
International Nuclear Information System (INIS)
Cullen, D.E
2000-01-01
TART2000 is a coupled neutron-photon, 3 Dimensional, combinatorial geometry, time dependent Monte Carlo radiation transport code. This code can run on any modern computer. It is a complete system to assist you with input Preparation, running Monte Carlo calculations, and analysis of output results. TART2000 is also incredibly FAST; if you have used similar codes, you will be amazed at how fast this code is compared to other similar codes. Use of the entire system can save you a great deal of time and energy. TART2000 is distributed on CD. This CD contains on-line documentation for all codes included in the system, the codes configured to run on a variety of computers, and many example problems that you can use to familiarize yourself with the system. TART2000 completely supersedes all older versions of TART, and it is strongly recommended that users only use the most recent version of TART2000 and its data files
Cullen, D
2000-01-01
TART2000 is a coupled neutron-photon, 3 Dimensional, combinatorial geometry, time dependent Monte Carlo radiation transport code. This code can run on any modern computer. It is a complete system to assist you with input Preparation, running Monte Carlo calculations, and analysis of output results. TART2000 is also incredibly FAST; if you have used similar codes, you will be amazed at how fast this code is compared to other similar codes. Use of the entire system can save you a great deal of time and energy. TART2000 is distributed on CD. This CD contains on-line documentation for all codes included in the system, the codes configured to run on a variety of computers, and many example problems that you can use to familiarize yourself with the system. TART2000 completely supersedes all older versions of TART, and it is strongly recommended that users only use the most recent version of TART2000 and its data files.
Hossain, Shaolie S.
2011-08-20
The majority of heart attacks occur when there is a sudden rupture of atherosclerotic plaque, exposing prothrombotic emboli to coronary blood flow, forming clots that can cause blockages of the arterial lumen. Diseased arteries can be treated with drugs delivered locally to vulnerable plaques. The objective of this work was to develop a computational tool-set to support the design and analysis of a catheter-based nanoparticulate drug delivery system to treat vulnerable plaques and diffuse atherosclerosis. A threedimensional mathematical model of coupled mass transport of drug and drug-encapsulated nanoparticles was developed and solved numerically utilizing isogeometric finite element analysis. Simulations were run on a patient-specific multilayered coronary artery wall segment with a vulnerable plaque and the effect of artery and plaque inhomogeneity was analyzed. The method captured trends observed in local drug delivery and demonstrated potential for optimizing drug design parameters, including delivery location, nanoparticle surface properties, and drug release rate. © Springer-Verlag 2011.
Energy Technology Data Exchange (ETDEWEB)
Estevez Hernandez, Sergio
2009-10-16
Semiconductor nanowires fabricated by a bottom-up approach are not only interesting for the realization of future nanoscaled devices but also appear to be very attractive model systems to tackle fundamental questions concerning the transport in strongly confined systems. In order to avoid the problem connected with carrier depletion, narrowband gap semiconductors, i.e., InAs or InN, or core-shell Nanowires, i.e., GaAs/AlGaAs, are preferred. The underlying reason is that in InAs or InN the Fermi-level pinning in the conduction band results in a carrier accumulation at the surface. In fact, the tubular topology of the surface electron gas opens up the possibility to observe unconventional quantum transport phenomena. When the phase-coherence length in the nanowire is comparable to its dimensions the conductance fluctuates if a magnetic field is applied or if the electron concentration is changed by means of a gate electrode. These so-called universal conductance fluctuations being in the order of e{sup 2}/h originate from the fact that in small disordered samples, electron interference effects are not averaged out. In this work are analyzed universal conductance fluctuations to study the quantum transport properties in InN, InAs and GaAs/AlGaAs nanowires. With the use of a magnetic field and a back-gate electrode the universal conductance fluctuations and localizations effects were analyzed. Since InN and InAs are narrow band gap semiconductors, one naturally expects spin-orbit coupling effects. Because this phenomena is of importance for spin electronic applications. However, owing to the cylindrical symmetry of the InN and InAs nanowires, the latter effect was observable and actually be used to determine the strength of spin-orbit coupling. In order to clearly separate the weak antilocalization effect from the conductance fluctuations, the averaging of the magnetoconductance at different gate voltages was essential. The low-temperature quantum transport properties
Report on stages 3 and 4: testing of coupled chemical transport models
International Nuclear Information System (INIS)
Read, D.
1991-01-01
Chemval is an international exercise aimed at the verification and validation of predictive models describing groundwater speciation and geochemical transport. As a component of the CEC Mirage project (Migration of radionuclides in the geosphere) - second phase, Chemval is being carried out within the framework of the third Community R and D programme on radioactive waste management and storage (1985-89). This report describes the methodology employed and results obtained for 15 verification tests of varying complexity. The outcome of validation studies against two well-characterized experimental systems is also assessed in terms of the requirements for radiological risk assessment. Chemval is funded jointly by the Commission of the European Communities and Her majesty's Inspectorate of Pollution - UK Department of the Environment. 75 refs., 67 figs; 21 tabs
International Nuclear Information System (INIS)
Leister, K.J.; Cutry, A.F.; Wenner, C.E.
1986-01-01
Recently, it has been shown that there exists a point in the cell cycle (approximately 2 h prior to S phase entry) when (Na + /K + )ATPase pump activity is no longer needed for progression through the cycle. These data suggests that pump activity is critical in the biosynthetic processes which enables the cell to proceed through the G 1 phase. A scheme is proposed which is currently being tested that (Na + /K + )ATPase pump activity serves as the driving force in the regulation of other membrane transport processes critical for cell proliferation. For example, in post-confluent quiescent C3H-10T1/2 fibroblasts, when [K + ]/sub o/ is lowered just below the K/sub m/ of the pump for K + there is a 10-fold increase in 3 H-uridine uptake into both acid soluble and insoluble cell fractions. By modulation of the pump in this manner, glucose utilization is enhanced whereas inhibition of the pump by ouabain suppresses glucose utilization. In both methods of affecting the pump, 3 H-leucine incorporation is inhibited. Electron acceptors that influence the redox state of the cell have been shown to both stimulate or inhibit cell cycle progression. Under conditions where [K + ]/sub o/ is lowered, the nucleoside uptake responses observed were modified by electron acceptors depending on the ability to oxidize NAD(P)H directly or to interact with a cytochrome-like component, (e.g. phenazine methosulfate) reversed the enhanced uridine uptake and p-phenylene diamine further enhanced the uridine uptake response. These findings suggest that a plasma membrane redox system (presumably cyt-c like) is linked to nucleoside transport which is subject to (Na + /K + )ATPase activity
A simplified spherical harmonic method for coupled electron-photon transport calculations
International Nuclear Information System (INIS)
Josef, J.A.
1996-12-01
In this thesis we have developed a simplified spherical harmonic method (SP N method) and associated efficient solution techniques for 2-D multigroup electron-photon transport calculations. The SP N method has never before been applied to charged-particle transport. We have performed a first time Fourier analysis of the source iteration scheme and the P 1 diffusion synthetic acceleration (DSA) scheme applied to the 2-D SP N equations. Our theoretical analyses indicate that the source iteration and P 1 DSA schemes are as effective for the 2-D SP N equations as for the 1-D S N equations. Previous analyses have indicated that the P 1 DSA scheme is unstable (with sufficiently forward-peaked scattering and sufficiently small absorption) for the 2-D S N equations, yet is very effective for the 1-D S N equations. In addition, we have applied an angular multigrid acceleration scheme, and computationally demonstrated that it performs as well for the 2-D SP N equations as for the 1-D S N equations. It has previously been shown for 1-D S N calculations that this scheme is much more effective than the DSA scheme when scattering is highly forward-peaked. We have investigated the applicability of the SP N approximation to two different physical classes of problems: satellite electronics shielding from geomagnetically trapped electrons, and electron beam problems. In the space shielding study, the SP N method produced solutions that are accurate within 10% of the benchmark Monte Carlo solutions, and often orders of magnitude faster than Monte Carlo. We have successfully modeled quasi-void problems and have obtained excellent agreement with Monte Carlo. We have observed that the SP N method appears to be too diffusive an approximation for beam problems. This result, however, is in agreement with theoretical expectations
Pepin, J.; Folsom, M.; Person, M. A.; Kelley, S.; Gomez-Velez, J. D.; Peacock, J.
2016-12-01
Over the last 30 years, considerable effort has focused on understanding the distribution of permeability within the earth's crust and its implications for flow and transport. The scarcity of direct observations makes the description of permeabilities beyond depths of about 3 km particularly challenging. Numerous studies have defined depth-decay relationships for basement permeability, while others note that it is too complex to be characterized by a general relationship. Hydrothermal modeling studies focusing on two geothermal systems within the tectonically active Rio Grande rift of New Mexico suggest that there may be laterally extensive regions of highly permeable (10-14 to 10-12 m2) basement rocks at depths ranging between 4 and 8 km. The NaCl groundwater signature, elevated fracture density, and secondary mineralization of fractured basement outcrops associated with these geothermal systems indicate that there may indeed be significant groundwater flow within the basement rocks of the rift. We hypothesize that there are extensive regions of highly permeable crystalline basement rocks at depths greater than 3 km within the Rio Grande rift. These fractured zones serve as large conduits for geothermal fluids before they ascend to shallow depths through gaps in overlying confining sediments or along faults. To test these hypotheses, we use a combination of geophysical observations and flow and transport modeling. We used electromagnetic geophysics (TEM & MT) to image resistivity in one of the hypothesized deep circulation geothermal systems near Truth or Consequences, NM. The resistivity dataset, in tandem with geochemical and thermal observations, is then used to calibrate a hydrothermal model of the system. This new calibration methodology has the potential to change the way researchers study crustal fluid flow and geothermal systems; thereby providing a tool to explore depths greater than 3 km where minimal data is available. In addition, it has the advantage
Rasyif, Teuku M.; Kato, Shigeru; Syamsidik, Okabe, Takumi
2017-10-01
Numerical simulation is one of the useful tools to analyze natural phenomena in the earth such as the tsunami disaster. Several numerical models can simulate the tsunami wave from its generation, propagation, and inundation. However, most tsunami models do not include the sediment transport module. The tsunami wave actually induces a lot of sediment during the propagation in the coastal area. In the case of Indian Ocean Tsunami in 2004, massive morphological changes were caused by the tsunami waves around Sumatra coast. In Aceh, some areas eroded by the tsunami wave were living place for a local community. It is indispensable for the resident in the coastal area to estimate the risk of morphological changes due to a tsunami wave. Therefore, a model that can investigate the morphological changes due tsunami wave is necessary. The result of this model can be used to consider a countermeasure for tsunami wave impact in the coastal area, such as land-use management and planning. The COMCOT-SED model had been developed by several researchers. This model combines the hydrodynamic module and the sediment module. The aim of this study is to get general information about performance of the COMCOT-SED model and to modify the model for more accurate results. Firstly, the model was demonstrated in the ideal condition to confirm the model validity. Then, we evaluated the model performance comparing the model results and the laboratory experiment data which was conducted by other researcher. The authors found that the results of water level and bottom profile by the original model in the ideal condition are not suitable. The model modification will give us more suitable results. The modified model will be applied to simulate the tsunami wave and sediment transport in the small area.
On the modeling of bubble evolution and transport using coupled level-set/CFD method
International Nuclear Information System (INIS)
Bartlomiej Wierzbicki; Steven P Antal; Michael Z Podowski
2005-01-01
Full text of publication follows: The ability to predict the shape of the gas/liquid/solid interfaces is important for various multiphase flow and heat transfer applications. Specific issues of interest to nuclear reactor thermal-hydraulics, include the evolution of the shape of bubbles attached to solid surfaces during nucleation, bubble surface interactions in complex geometries, etc. Additional problems, making the overall task even more complicated, are associated with the effect of material properties that may be significantly altered by the addition of minute amounts of impurities, such as surfactants or nano-particles. The present paper is concerned with the development of an innovative approach to model time-dependent shape of gas/liquid interfaces in the presence of solid walls. The proposed approach combines a modified level-set method with an advanced CFD code, NPHASE. The coupled numerical solver can be used to simulate the evolution of gas/liquid interfaces in two-phase flows for a variety of geometries and flow conditions, from individual bubbles to free surfaces (stratified flows). The issues discussed in the full paper will include: a description of the novel aspects of the proposed level-set concept based method, an overview of the NPHASE code modeling framework and a description of the coupling method between these two elements of the overall model. A particular attention will be give to the consistency and completeness of model formulation for the interfacial phenomena near the liquid/gas/solid triple line, and to the impact of the proposed numerical approach on the accuracy and consistency of predictions. The accuracy will be measured in terms of both the calculated shape of the interfaces and the gas and liquid velocity fields around the interfaces and in the entire computational domain. The results of model testing and validation will also be shown in the full paper. The situations analyzed will include: bubbles of different sizes and varying
Directory of Open Access Journals (Sweden)
Zhiqiang Chen
2016-03-01
Full Text Available The hydro-mechanical coupling transport process of sand production is numerically investigated with special attention paid to the bonding effect between sand grains. By coupling the lattice Boltzmann method (LBM and the discrete element method (DEM, we are able to capture particles movements and fluid flows simultaneously. In order to account for the bonding effects on sand production, a contact bond model is introduced into the LBM-DEM framework. Our simulations first examine the experimental observation of “initial sand production is evoked by localized failure” and then show that the bonding or cement plays an important role in sand production. Lower bonding strength will lead to more sand production than higher bonding strength. It is also found that the influence of flow rate on sand production depends on the bonding strength in cemented granular media, and for low bonding strength sample, the higher the flow rate is, the more severe the erosion found in localized failure zone becomes.
Polynomial parameterized representation of macroscopic cross section for PWR reactor
International Nuclear Information System (INIS)
Fiel, Joao Claudio B.
2015-01-01
The purpose of this work is to describe, by means of Tchebychev polynomial, a parameterized representation of the homogenized macroscopic cross section for PWR fuel element as a function of soluble boron concentration, moderator temperature, fuel temperature, moderator density and 235 U 92 enrichment. Analyzed cross sections are: fission, scattering, total, transport, absorption and capture. This parameterization enables a quick and easy determination of the problem-dependent cross-sections to be used in few groups calculations. The methodology presented here will enable to provide cross-sections values to perform PWR core calculations without the need to generate them based on computer code calculations using standard steps. The results obtained by parameterized cross-sections functions, when compared with the cross-section generated by SCALE code calculations, or when compared with K inf , generated by MCNPX code calculations, show a difference of less than 0.7 percent. (author)
Experimental demonstration of macroscopic quantum coherence in Gaussian states
DEFF Research Database (Denmark)
Marquardt, C.; Andersen, Ulrik Lund; Leuchs, G.
2007-01-01
We witness experimentally the presence of macroscopic coherence in Gaussian quantum states using a recently proposed criterion [E. G. Cavalcanti and M. D. Reid, Phys. Rev. Lett. 97 170405 (2006)]. The macroscopic coherence stems from interference between macroscopically distinct states in phase...
Modeling of radiation transport in coupled atmosphere-snow-ice-ocean systems
International Nuclear Information System (INIS)
Stamnes, K.; Hamre, B.; Stamnes, J.J.; Ryzhikov, G.; Biryulina, M.; Mahoney, R.; Hauss, B.; Sei, A.
2011-01-01
A radiative transfer model for coupled atmosphere-snow-ice-ocean systems (CASIO-DISORT) is used to develop accurate and efficient tools for computing the bidirectional reflectance distribution function (BRDF) of sea ice for a wide range of situations occurring in nature. These tools include a method to generate sea ice inherent optical properties (IOPs: single-scattering albedo, extinction optical depth, and scattering asymmetry parameter) for any wavelength between 300 and 4000 nm as a function of sea ice physical parameters including real and imaginary parts of the sea ice refractive index, brine pocket concentration and effective brine pocket size, air bubble concentration and effective air bubble size, volume fraction of ice impurities and impurity absorption coefficient, and sea ice thickness. The CASIO-DISORT code was used to compute look-up tables (LUTs) of the Fourier expansion coefficients of the BRDF as a function of angles of illumination and observation, sea ice IOPs, and ocean albedo. By interpolation in the LUTs one efficiently obtains accurate BRDF values. To include snow on the ice we modified DISORT2 to accept Fourier expansion coefficients for the BDRF as input instead of the BRDF itself, thereby reducing the computation time by a factor of about 60. The BRDF computed by CASIO-DISORT or retrieved from the LUTs applies to diffuse light only. To remedy this shortcoming we added a specular Gaussian beam component to the new BRDF tool and verified that it works well for BRDFs for bare and snow-covered sea ice.
Coupling External Radiation Transport Code Results to the GADRAS Detector Response Function
International Nuclear Information System (INIS)
Mitchell, Dean J.; Thoreson, Gregory G.; Horne, Steven M.
2014-01-01
Simulating gamma spectra is useful for analyzing special nuclear materials. Gamma spectra are influenced not only by the source and the detector, but also by the external, and potentially complex, scattering environment. The scattering environment can make accurate representations of gamma spectra difficult to obtain. By coupling the Monte Carlo Nuclear Particle (MCNP) code with the Gamma Detector Response and Analysis Software (GADRAS) detector response function, gamma spectrum simulations can be computed with a high degree of fidelity even in the presence of a complex scattering environment. Traditionally, GADRAS represents the external scattering environment with empirically derived scattering parameters. By modeling the external scattering environment in MCNP and using the results as input for the GADRAS detector response function, gamma spectra can be obtained with a high degree of fidelity. This method was verified with experimental data obtained in an environment with a significant amount of scattering material. The experiment used both gamma-emitting sources and moderated and bare neutron-emitting sources. The sources were modeled using GADRAS and MCNP in the presence of the external scattering environment, producing accurate representations of the experimental data.
Spin-orbit coupling and transport in strongly correlated two-dimensional systems
Huang, Jian; Pfeiffer, L. N.; West, K. W.
2017-05-01
Measuring the magnetoresistance (MR) of ultraclean GaAs two-dimensional holes for a large rs range of 20-50, two striking behaviors in relation to the spin-orbit coupling (SOC) emerge in response to strong electron-electron interaction. First, in exact correspondence to the zero-field metal-to-insulator transition (MIT), the sign of the MR switches from being positive in the metallic regime to being negative in the insulating regime when the carrier density crosses the critical density pc of MIT (rs˜39 ). Second, as the SOC-driven correction Δ ρ to the MR decreases with reducing carrier density (or the in-plane wave vector), it exhibits an upturn in the close proximity just above pc where rs is beyond 30, indicating a substantially enhanced SOC effect. This peculiar behavior echoes with a trend of delocalization long suspected for the SOC-interaction interplay. Meanwhile, for p 40 , in contrast to the common belief that a magnet field enhances Wigner crystallization, the negative MR is likely linked to enhanced interaction.
Aduri, Nanda G; Ernst, Heidi A; Prabhala, Bala K; Bhatt, Shweta; Boesen, Thomas; Gajhede, Michael; Mirza, Osman
2018-01-08
The human proton coupled folic acid transporter PCFT is the major import route for dietary folates. Mutations in the gene encoding PCFT cause hereditary folic acid malabsorption, which manifests itself by compromised folate absorption from the intestine and also in impaired folate transport into the central nervous system. Since its recent discovery, PCFT has been the subject of numerous biochemical studies aiming at understanding its structure and mechanism. One major focus has been its oligomeric state, with some reports supporting oligomers and others a monomer. Here, we report the overexpression and purification of recombinant PCFT. Following detergent screening, n-Dodecyl β-D-maltoside (DDM) and lauryl maltose neopentyl glycol (LMNG) were chosen for further work as they exhibited the most optimal solubilization. We found that purified detergent solubilized PCFT was able to bind folic acid, thus indicating a functionally active protein. Size exclusion chromatography showed that PCFT in DDM was polydisperse; the LMNG preparation was clearly monodisperse but with shorter retention time than the major DDM peak. To assess the oligomeric state negative stain electron microscopy was performed which showed a particle with the size of a PCFT dimer. Copyright © 2017 Elsevier Inc. All rights reserved.
International Nuclear Information System (INIS)
Ni, Meng; Leung, Michael K.H.; Leung, Dennis Y.C.
2007-01-01
A mathematical model was developed to simulate the coupled transport/electrochemical reaction phenomena in a solid oxide steam electrolyzer (SOSE) at the micro-scale level. Ohm's law, dusty gas model (DGM), Darcy's law, and the generalized Butler Volmer equation were employed to determine the transport of electronic/ionic charges and gas species as well as the electrochemical reactions. Parametric analyses were performed to investigate the effects of operating parameters and micro-structural parameters on SOSE potential. The results substantiated the fact that SOSE potential could be effectively decreased by increasing the operating temperature. In addition, higher steam molar fraction would enhance the operation of SOSE with lower potential. The effect of particle sizes on SOSE potential was studied with due consideration on the SOSE activation and concentration overpotentials. Optimal particle sizes that could minimize the SOSE potential were obtained. It was also found that decreasing electrode porosity could monotonically decrease the SOSE potential. Besides, optimal values of volumetric fraction of electronic particles were found to minimize electrode total overpotentials. In order to optimize electrode microstructure to minimize SOSE electricity consumption, the concept of 'functionally graded materials (FGM)' was introduced to lower the SOSE potential. The advanced design of particle size graded SOSE was found effective for minimizing electrical energy consumption resulting in efficient SOSE hydrogen production. The micro-scale model was capable of predicting SOSE hydrogen production performance and would be a useful tool for design optimization
Mawrie, Alestin; Verma, Sonu; Ghosh, Tarun Kanti
2017-09-01
We investigate effect of k-cubic spin-orbit interaction on electrical and thermoelectric transport properties of two-dimensional fermionic systems. We obtain exact analytical expressions of the inverse relaxation time (IRT) and the Drude conductivity for long-range Coulomb and short-range delta scattering potentials. The IRT reveals that the scattering is completely suppressed along the three directions θ = (2n+1)π/3 with n=1,2,3. We also obtain analytical results of the thermopower and thermal conductivity at low temperature. The thermoelectric transport coefficients obey the Wiedemann-Franz law, even in the presence of k-cubic Rashba spin-orbit interaction (RSOI) at low temperature. In the presence of quantizing magnetic field, the signature of the RSOI is revealed through the appearance of the beating pattern in the Shubnikov-de Haas (SdH) oscillations of thermopower and thermal conductivity in low magnetic field regime. The empirical formulae for the SdH oscillation frequencies accurately describe the locations of the beating nodes. The beating pattern in magnetothermoelectric measurement can be used to extract the spin-orbit coupling constant. © 2017 IOP Publishing Ltd.
Mawrie, Alestin; Verma, Sonu; Kanti Ghosh, Tarun
2017-11-01
We investigate the effect of k-cubic spin-orbit interaction on the electrical and thermoelectric transport properties of two-dimensional fermionic systems. We obtain exact analytical expressions of the inverse relaxation time (IRT) and the Drude conductivity for long-range Coulomb and short-range delta scattering potentials. The IRT reveals that the scattering is completely suppressed along the three directions θ^\\prime = (2n+1)π/3 with n=1, 2, 3 . We also obtain analytical results of the thermopower and thermal conductivity at low temperature. The thermoelectric transport coefficients obey the Wiedemann-Franz law, even in the presence of k-cubic Rashba spin-orbit interaction (RSOI) at low temperature. In the presence of a quantizing magnetic field, the signature of the RSOI is revealed through the appearance of the beating pattern in the Shubnikov-de Haas (SdH) oscillations of thermopower and thermal conductivity in the low magnetic field regime. The empirical formulae for the SdH oscillation frequencies accurately describe the locations of the beating nodes. The beating pattern in magnetothermoelectric measurement can be used to extract the spin-orbit coupling constant.
Eicher, Thomas; Seeger, Markus A; Anselmi, Claudio; Zhou, Wenchang; Brandstätter, Lorenz; Verrey, François; Diederichs, Kay; Faraldo-Gómez, José D; Pos, Klaas M
2014-09-19
Membrane transporters of the RND superfamily confer multidrug resistance to pathogenic bacteria, and are essential for cholesterol metabolism and embryonic development in humans. We use high-resolution X-ray crystallography and computational methods to delineate the mechanism of the homotrimeric RND-type proton/drug antiporter AcrB, the active component of the major efflux system AcrAB-TolC in Escherichia coli, and one most complex and intriguing membrane transporters known to date. Analysis of wildtype AcrB and four functionally-inactive variants reveals an unprecedented mechanism that involves two remote alternating-access conformational cycles within each protomer, namely one for protons in the transmembrane region and another for drugs in the periplasmic domain, 50 Å apart. Each of these cycles entails two distinct types of collective motions of two structural repeats, coupled by flanking α-helices that project from the membrane. Moreover, we rationalize how the cross-talk among protomers across the trimerization interface might lead to a more kinetically efficient efflux system.
Nguyen, Nhan; Ting, Eric; Nguyen, Daniel; Dao, Tung; Trinh, Khanh
2013-01-01
This paper presents a coupled vortex-lattice flight dynamic model with an aeroelastic finite-element model to predict dynamic characteristics of a flexible wing transport aircraft. The aircraft model is based on NASA Generic Transport Model (GTM) with representative mass and stiffness properties to achieve a wing tip deflection about twice that of a conventional transport aircraft (10% versus 5%). This flexible wing transport aircraft is referred to as an Elastically Shaped Aircraft Concept (ESAC) which is equipped with a Variable Camber Continuous Trailing Edge Flap (VCCTEF) system for active wing shaping control for drag reduction. A vortex-lattice aerodynamic model of the ESAC is developed and is coupled with an aeroelastic finite-element model via an automated geometry modeler. This coupled model is used to compute static and dynamic aeroelastic solutions. The deflection information from the finite-element model and the vortex-lattice model is used to compute unsteady contributions to the aerodynamic force and moment coefficients. A coupled aeroelastic-longitudinal flight dynamic model is developed by coupling the finite-element model with the rigid-body flight dynamic model of the GTM.
Model of the saltation transport by Discrete Element Method coupled with wind interaction
Directory of Open Access Journals (Sweden)
Oger Luc
2017-01-01
Full Text Available We study the Aeolian saltation transport problem by analysing the collision of incident energetic beads with granular packing. We investigate the collision process for the case where the incident bead and those from the packing have identical mechanical properties. We analyse the features of the consecutive collision process. We used a molecular dynamics method known as DEM (soft Discrete Element Method with 20000 particles (2D. The grains were displayed randomly in a box (250X60. A few incident disks are launched with a constant velocity and angle with high random position to initiate the flow. A wind velocity profile is applied on the flowing zone of the saltation. The velocity profile is obtained by the calculi of the counter-flow due to the local packing fraction induced by the granular flow. We analyse the evolution of the upper surface of the disk packing. In the beginning, the saltation process can be seen as the classical “splash function” in which one bead hits a fully static dense packing. Then, the quasi-fluidized upper layer of the packing creates a completely different behaviour of the “animated splash function”. The dilation of the upper surface due to the previous collisions is responsible for a need of less input energy for launching new ejected disks. This phenomenon permits to maintain a constant granular flow with a “small” wind velocity on the surface of the disk bed.
Energy Technology Data Exchange (ETDEWEB)
Cushman, J.H.; Madilyn Fletcher
2000-06-01
Dynamic microbial attachment/detachment occurs in subsurface systems in response to changing environmental conditions caused by contaminant movement and degradation. Understanding the environmental conditions and mechanisms by which anaerobic bacteria partition between aqueous and solid phases is a critical requirement for designing and evaluating in situ bioremediation efforts. This interdisciplinary research project, of which we report only the Purdue contribution, provides fundamental information on the attachment/detachment dynamics of bacteria in heterogeneous porous media. Fundamental results from the Purdue collaboration are: (a) development of a matched-index method for obtaining 3-D Lagrangian trajectories of microbial sized particles transporting within porous media or microflow cells, (b) application of advanced numerical methods to optimally design a microflow cell for studying anaerobic bacterial attachment/detachment phenomena, (c) development of two types of models for simulating bacterial movement and attachment/detachment in microflow cells and natural porous media, (d) application of stochastic analysis to upscale pore scale microbial attachment/detachment models to natural heterogeneous porous media, and (e) evaluation of the role nonlocality plays in microbial dynamics in heterogeneous porous media
International Nuclear Information System (INIS)
Cushman, J.H.
2000-01-01
Dynamic microbial attachment/detachment occurs in subsurface systems in response to changing environmental conditions caused by contaminant movement and degradation. Understanding the environmental conditions and mechanisms by which anaerobic bacteria partition between aqueous and solid phases is a critical requirement for designing and evaluating in situ bioremediation efforts. This interdisciplinary research project, of which we report only the Purdue contribution, provides fundamental information on the attachment/detachment dynamics of bacteria in heterogeneous porous media. Fundamental results from the Purdue collaboration are: (a) development of a matched-index method for obtaining 3-D Lagrangian trajectories of microbial sized particles transporting within porous media or microflow cells, (b) application of advanced numerical methods to optimally design a microflow cell for studying anaerobic bacterial attachment/detachment phenomena, (c) development of two types of models for simulating bacterial movement and attachment/detachment in microflow cells and natural porous media, (d) application of stochastic analysis to upscale pore scale microbial attachment/detachment models to natural heterogeneous porous media, and (e) evaluation of the role nonlocality plays in microbial dynamics in heterogeneous porous media
A Generalized Boltzmann Fokker-Planck Method for Coupled Charged Particle Transport
Energy Technology Data Exchange (ETDEWEB)
Prinja, Anil K
2012-01-09
The goal of this project was to develop and investigate the performance of reduced-physics formulations of high energy charged particle (electrons, protons and heavier ions) transport that are computationally more efficient than not only analog Monte Carlo methods but also the established condensed history Monte Carlo technique. Charged particles interact with matter by Coulomb collisions with target nuclei and electrons, by bremsstrahlung radiation loss and by nuclear reactions such as spallation and fission. Of these, inelastic electronic collisions and elastic nuclear collisions are the dominant cause of energy-loss straggling and angular deflection or range straggling of a primary particle. These collisions are characterized by extremely short mean free paths (sub-microns) and highly peaked, near-singular differential cross sections about forward directions and zero energy loss, with the situation for protons and heavier ions more extreme than for electrons. For this reason, analog or truephysics single-event Monte Carlo simulation, while possible in principle, is computationally prohibitive for routine calculation of charged particle interaction phenomena.
Energy Technology Data Exchange (ETDEWEB)
Cushman, J.H.
2000-06-01
Dynamic microbial attachment/detachment occurs in subsurface systems in response to changing environmental conditions caused by contaminant movement and degradation. Understanding the environmental conditions and mechanisms by which anaerobic bacteria partition between aqueous and solid phases is a critical requirement for designing and evaluating in situ bioremediation efforts. This interdisciplinary research project, of which we report only the Purdue contribution, provides fundamental information on the attachment/detachment dynamics of bacteria in heterogeneous porous media. Fundamental results from the Purdue collaboration are: (a) development of a matched-index method for obtaining 3-D Lagrangian trajectories of microbial sized particles transporting within porous media or microflow cells, (b) application of advanced numerical methods to optimally design a microflow cell for studying anaerobic bacterial attachment/detachment phenomena, (c) development of two types of models for simulating bacterial movement and attachment/detachment in microflow cells and natural porous media, (d) application of stochastic analysis to upscale pore scale microbial attachment/detachment models to natural heterogeneous porous media, and (e) evaluation of the role nonlocality plays in microbial dynamics in heterogeneous porous media.
Polyelectrolyte surfactant aggregates and their deposition on macroscopic surfaces
International Nuclear Information System (INIS)
Voisin, David
2002-01-01
cationically modified guar gums (of varying charge density) with two anionic surfactants: sodium lauryl (or dodecyl) ether sulfate [SLES] and sodium dodecyl sulfate [SDS], for various concentrations of the polyelectrolyte and added sodium chloride, at room temperature. The addition of sodium chloride has only a minor net effect on the CFC, but increases the CSC significantly. The interactions between the cationic polyelectrolyte and the surfactant have been studied in the one-phase regions, i.e. below the CFC and above the CSC, using different techniques. Surface tension, electrophoresis, light scattering and viscosimetry have been employed. In the two-phase region, the sedimented floe phase has been analysed and the flocculation has been investigated. Rheology of the floe phase has been studied, after a mild compression by centrifugation. The initial rate of flocculation has been determined, using stop-flow equipment. The growth and the structure of the flocs have been investigated by light scattering. The open-network flocs of polyelectrolyte-surfactant particles grow to ∼10's μm in size, prior to their eventual settling out. Other colloidal particles can be trapped within these large flocs, and the flocs can be used to transport these particles to a macroscopic surface. The deposition and the removal of such composite flocs on glass surfaces, under flow, have been studied using a flow cell device coupled with an optical microscope. Scanning electron microscopy and atomic force microscopy have also been employed. (author)
Polyelectrolyte surfactant aggregates and their deposition on macroscopic surfaces
Energy Technology Data Exchange (ETDEWEB)
Voisin, David
2002-07-01
the CSC have been determined for mixtures of cationically modified guar gums (of varying charge density) with two anionic surfactants: sodium lauryl (or dodecyl) ether sulfate [SLES] and sodium dodecyl sulfate [SDS], for various concentrations of the polyelectrolyte and added sodium chloride, at room temperature. The addition of sodium chloride has only a minor net effect on the CFC, but increases the CSC significantly. The interactions between the cationic polyelectrolyte and the surfactant have been studied in the one-phase regions, i.e. below the CFC and above the CSC, using different techniques. Surface tension, electrophoresis, light scattering and viscosimetry have been employed. In the two-phase region, the sedimented floe phase has been analysed and the flocculation has been investigated. Rheology of the floe phase has been studied, after a mild compression by centrifugation. The initial rate of flocculation has been determined, using stop-flow equipment. The growth and the structure of the flocs have been investigated by light scattering. The open-network flocs of polyelectrolyte-surfactant particles grow to {approx}10's {mu}m in size, prior to their eventual settling out. Other colloidal particles can be trapped within these large flocs, and the flocs can be used to transport these particles to a macroscopic surface. The deposition and the removal of such composite flocs on glass surfaces, under flow, have been studied using a flow cell device coupled with an optical microscope. Scanning electron microscopy and atomic force microscopy have also been employed. (author)
International Nuclear Information System (INIS)
Bacon, D.H.; White, M.D.; McGrail, B.P.
2000-01-01
The Hanford Site, in southeastern Washington State, has been used extensively to produce nuclear materials for the US strategic defense arsenal by the Department of Energy (DOE) and its predecessors, the US Atomic Energy Commission and the US Energy Research and Development Administration. A large inventory of radioactive and mixed waste has accumulated in 177 buried single- and double shell tanks. Liquid waste recovered from the tanks will be pretreated to separate the low-activity fraction from the high-level and transuranic wastes. Vitrification is the leading option for immobilization of these wastes, expected to produce approximately 550,000 metric tons of Low Activity Waste (LAW) glass. This total tonnage, based on nominal Na 2 O oxide loading of 20% by weight, is destined for disposal in a near-surface facility. Before disposal of the immobilized waste can proceed, the DOE must approve a performance assessment, a document that described the impacts, if any, of the disposal facility on public health and environmental resources. Studies have shown that release rates of radionuclides from the glass waste form by reaction with water determine the impacts of the disposal action more than any other independent parameter. This report describes the latest accomplishments in the development of a computational tool, Subsurface Transport Over Reactive Multiphases (STORM), Version 2, a general, coupled non-isothermal multiphase flow and reactive transport simulator. The underlying mathematics in STORM describe the rate of change of the solute concentrations of pore water in a variably saturated, non-isothermal porous medium, and the alteration of waste forms, packaging materials, backfill, and host rocks
Alexandre, Adolfo; Reynafarje, Baltazar; Lehninger, Albert L.
1978-01-01
In order to verify more directly our earlier measurements showing that, on the average, close to four vectorial H+ are rejected per pair of electrons passing each of the three energy-conserving sites of the mitochondrial electron transport chain, direct tests of the H+/2e- ratio for sites 2 and 3 were carried out in the presence of permeant charge-compensating cations. Site 2 was examined by utilizing succinate as electron donor and ferricyanide as electron acceptor from mitochondrial cytochrome c; the directly measured H+/2e- ratio was close to 4. Energy-conserving site 3 was isolated for study with ferrocyanide or ascorbate plus tetramethylphenylenediamine as electron donors to cytochrome c and with oxygen as electron acceptor. The directly measured H+/2e- ratio for site 3 was close to 4. The H+/ATP ratio (number of vectorial H+ ejected per ATP hydrolyzed) was determined with a new method in which the steady-state rates of both H+ ejection and ATP hydrolysis were measured in the presence of K+ + valinomycin. The H+/ATP ratio was found to approach 3.0. A proton cycle for oxidative phosphorylation is proposed, in which four electrochemical H+ equivalents are ejected per pair of electrons passing each energy-conserving site; three of the H+ equivalents pass inward to derive ATP synthesis from ADP and phosphate and the fourth H+ is used to bring about the energy-requiring electrogenic expulsion of ATP4- in exchange for extramitochondrial ADP3-, via the H+/H2PO4- symporter. PMID:31621
The macroscopic harmonic oscillator and quantum measurements
International Nuclear Information System (INIS)
Hayward, R.W.
1982-01-01
A quantum mechanical description of a one-dimensional macroscopic harmonic oscillator interacting with its environment is given. Quasi-coherent states are introduced to serve as convenient basis states for application of a density matrix formalism to characterize the system. Attention is given to the pertinent quantum limits to the precision of measurement of physical observables that may provide some information on the nature of a weak classical force interacting with the oscillator. A number of ''quantum nondemolition'' schemes proposed by various authors are discussed. (Auth.)
Macroscopic quantum tunneling of the magnetic moment
Tejada, J.; Hernandez, J. M.; del Barco, E.
1999-05-01
In this paper we review the work done on magnetic relaxation during the last 10 years on both single-domain particles and magnetic molecules and its contribution to the discovery of quantum tunneling of the magnetic moment (Chudnovsky and Tejada, Macroscopic Quantum tunneling of the Magnetic moment, Cambridge University press, Cambridge, 1998). We present first the theoretical expressions and their connection to quantum relaxation and secondly, we show and discuss the experimental results. Finally, we discuss very recent hysteresis data on Mn 12Ac molecules at extremely large sweeping rate for the external magnetic field which suggest the existence of quantum spin—phonon avalanches.
Compressor Has No Moving Macroscopic Parts
Gasser, Max
1995-01-01
Compressor containing no moving macroscopic parts functions by alternating piston and valve actions of successive beds of magnetic particles. Fabricated easily because no need for precisely fitting parts rotating or sliding on each other. Also no need for lubricant fluid contaminating fluid to be compressed. Compressor operates continuously, eliminating troublesome on/off cycling of other compressors, and decreasing consumption of energy. Phased cells push fluid from bottom to top, adding increments of pressure. Each cell contains magnetic powder particles loose when electromagnet coil deenergized, but tightly packed when coil energized.
International Nuclear Information System (INIS)
White, Morgan C.
2000-01-01
The fundamental motivation for the research presented in this dissertation was the need to development a more accurate prediction method for characterization of mixed radiation fields around medical electron accelerators (MEAs). Specifically, a model is developed for simulation of neutron and other particle production from photonuclear reactions and incorporated in the Monte Carlo N-Particle (MCNP) radiation transport code. This extension of the capability within the MCNP code provides for the more accurate assessment of the mixed radiation fields. The Nuclear Theory and Applications group of the Los Alamos National Laboratory has recently provided first-of-a-kind evaluated photonuclear data for a select group of isotopes. These data provide the reaction probabilities as functions of incident photon energy with angular and energy distribution information for all reaction products. The availability of these data is the cornerstone of the new methodology for state-of-the-art mutually coupled photon-neutron transport simulations. The dissertation includes details of the model development and implementation necessary to use the new photonuclear data within MCNP simulations. A new data format has been developed to include tabular photonuclear data. Data are processed from the Evaluated Nuclear Data Format (ENDF) to the new class ''u'' A Compact ENDF (ACE) format using a standalone processing code. MCNP modifications have been completed to enable Monte Carlo sampling of photonuclear reactions. Note that both neutron and gamma production are included in the present model. The new capability has been subjected to extensive verification and validation (V and V) testing. Verification testing has established the expected basic functionality. Two validation projects were undertaken. First, comparisons were made to benchmark data from literature. These calculations demonstrate the accuracy of the new data and transport routines to better than 25 percent. Second, the ability to
Energy Technology Data Exchange (ETDEWEB)
White, Morgan C. [Univ. of Florida, Gainesville, FL (United States)
2000-07-01
The fundamental motivation for the research presented in this dissertation was the need to development a more accurate prediction method for characterization of mixed radiation fields around medical electron accelerators (MEAs). Specifically, a model is developed for simulation of neutron and other particle production from photonuclear reactions and incorporated in the Monte Carlo N-Particle (MCNP) radiation transport code. This extension of the capability within the MCNP code provides for the more accurate assessment of the mixed radiation fields. The Nuclear Theory and Applications group of the Los Alamos National Laboratory has recently provided first-of-a-kind evaluated photonuclear data for a select group of isotopes. These data provide the reaction probabilities as functions of incident photon energy with angular and energy distribution information for all reaction products. The availability of these data is the cornerstone of the new methodology for state-of-the-art mutually coupled photon-neutron transport simulations. The dissertation includes details of the model development and implementation necessary to use the new photonuclear data within MCNP simulations. A new data format has been developed to include tabular photonuclear data. Data are processed from the Evaluated Nuclear Data Format (ENDF) to the new class ''u'' A Compact ENDF (ACE) format using a standalone processing code. MCNP modifications have been completed to enable Monte Carlo sampling of photonuclear reactions. Note that both neutron and gamma production are included in the present model. The new capability has been subjected to extensive verification and validation (V&V) testing. Verification testing has established the expected basic functionality. Two validation projects were undertaken. First, comparisons were made to benchmark data from literature. These calculations demonstrate the accuracy of the new data and transport routines to better than 25 percent. Second
Coupled nonequilibrium flow, energy and radiation transport for hypersonic planetary entry
Frederick, Donald Jerome
An ever increasing demand for energy coupled with a need to mitigate climate change necessitates technology (and lifestyle) changes globally. An aspect of the needed change is a decrease in the amount of anthropogenically generated CO2 emitted to the atmosphere. The decrease needed cannot be expected to be achieved through only one source of change or technology, but rather a portfolio of solutions are needed. One possible technology is Carbon Capture and Storage (CCS), which is likely to play some role due to its combination of mature and promising emerging technologies, such as the burning of hydrogen in gas turbines created by pre-combustion CCS separation processes. Thus research on effective methods of burning turbulent hydrogen jet flames (mimicking gas turbine environments) are needed, both in terms of experimental investigation and model development. The challenge in burning (and modeling the burning of) hydrogen lies in its wide range of flammable conditions, its high diffusivity (often requiring a diluent such as nitrogen to produce a lifted turbulent jet flame), and its behavior under a wide range of pressures. In this work, numerical models are used to simulate the environment of a gas turbine combustion chamber. Concurrent experimental investigations are separately conducted using a vitiated coflow burner (which mimics the gas turbine environment) to guide the numerical work in this dissertation. A variety of models are used to simulate, and occasionally guide, the experiment. On the fundamental side, mixing and chemistry interactions motivated by a H2/N2 jet flame in a vitiated coflow are investigated using a 1-D numerical model for laminar flows and the Linear Eddy Model for turbulent flows. A radial profile of the jet in coflow can be modeled as fuel and oxidizer separated by an initial mixing width. The effects of species diffusion model, pressure, coflow composition, and turbulent mixing on the predicted autoignition delay times and mixture
Coupling climate conditions, sediment sources and sediment transport in an alpine basin
Rainato, Riccardo; Picco, Lorenzo; Cavalli, Marco; Mao, Luca; Neverman, Andrew J.; Tarolli, Paolo
2017-04-01
-2006 period. In this sense, the sediment availability resulting from armour layer and bedform removal appears crucial to describing the sediment fluxes during this period, stressing the key role of the in-channel sediment supply. In the recent period 2007-2015 a marked climate warming accompanied by increased precipitation was observed. This climate forcing did not affect the landscape evolution, with sediment source extent remaining substantially in line between 2006 and 2016. The absence of a significant landscape response and the restoration of the channel armour layer can describe the limited sediment fluxes observed during the last decade. In particular, the increased temperature and precipitation were not accompanied by an increase in flood occurrence and magnitude, stressing the evident absence of hillslope-channel network coupling. This research was funded by the University of Padova Research Projects 'Sediment transfer processes in an Alpine basin: sediment cascades from hillslopes to the channel network-BIRD167919'.
Directory of Open Access Journals (Sweden)
M. De Lucia
2015-02-01
Full Text Available Fully coupled, multi-phase reactive transport simulations of CO2 storage systems can be approximated by a simplified one-way coupling of hydrodynamics and reactive chemistry. The main characteristics of such systems, and hypotheses underlying the proposed alternative coupling, are (i that the presence of CO2 is the only driving force for chemical reactions and (ii that its migration in the reservoir is only marginally affected by immobilisation due to chemical reactions. In the simplified coupling, the exposure time to CO2 of each element of the hydrodynamic grid is estimated by non-reactive simulations and the reaction path of one single batch geochemical model is applied to each grid element during its exposure time. In heterogeneous settings, analytical scaling relationships provide the dependency of velocity and amount of reactions to porosity and gas saturation. The analysis of TOUGHREACT fully coupled reactive transport simulations of CO2 injection in saline aquifer, inspired to the Ketzin pilot site (Germany, both in homogeneous and heterogeneous settings, confirms that the reaction paths predicted by fully coupled simulations in every element of the grid show a high degree of self-similarity. A threshold value for the minimum concentration of dissolved CO2 considered chemically active is shown to mitigate the effects of the discrepancy between dissolved CO2 migration in non-reactive and fully coupled simulations. In real life, the optimal threshold value is unknown and has to be estimated, e.g. by means of 1-D or 2-D simulations, resulting in an uncertainty ultimately due to the process de-coupling. However, such uncertainty is more than acceptable given that the alternative coupling enables using grids of the order of millions of elements, profiting from much better description of heterogeneous reservoirs at a fraction of the calculation time of fully coupled models.
Macroscopic reality and the dynamical reduction program
International Nuclear Information System (INIS)
Ghirardi, G.C.
1995-10-01
With reference to recently proposed theoretical models accounting for reduction in terms of a unified dynamics governing all physical processes, we analyze the problem of working out a worldview accommodating our knowledge about natural phenomena. We stress the relevant conceptual differences between the considered models and standard quantum mechanics. In spite of the fact that both theories describe individual physical systems within a genuine Hilbert space framework, the nice features of spontaneous reduction theories drastically limit the class of states which are dynamically stable. This allows one to work out a description of the world in terms of a mass density function in ordinary configuration space. A topology based on this function and differing radically from the one characterizing the Hilbert space is introduced and in terms of it the idea of similarity of macroscopic situations is made precise. Finally it is shown how the formalism and the proposed interpretation yield a natural criterion for establishing the psychophysical parallelism. The conclusion is that, within the considered theoretical models and at the nonrelativistic level, one can satisfy all sensible requirements for a consistent, unified, and objective description of reality at the macroscopic level. (author). 16 refs
Macroscopic description of isoscalar giant multipole resonances
International Nuclear Information System (INIS)
Nix, J.R.; Sierk, A.J.
1980-01-01
On the basis of a simple macroscopic model, we calculate the isoscalar giant-resonance energy as a function of mass number and multipole degree. The restoring force is determined from the distortion of the Fermi surface, and the inertia is determined for the incompressible, irrotational flow of nucleons with unit effective mass. With no adjustable parameters, the resulting closed expression reproduces correctly the available experimental data, namely the magnitude and dependence upon mass number of the giant quadrupole energy and the magnitude of the giant octupole energy for 208 Pb. We also calculate the isoscalar giant-resonance width as a function of mass number and multipole degree for various macroscopic damping mechanisms, including two-body viscosity, one-body dissipation, and modified one-body dissipation. None of these damping mechanisms reproduces correctly all features of the available experimental data, namely the magnitude and dependence upon mass number of the giant quadrupole width and the magnitude of the giant octupole width for 208 Pb
Macroscopic quantum tunneling in Mn12-acetat
International Nuclear Information System (INIS)
Beiter, J.; Reissner, M.; Hilscher, G.; Steiner, W.; Pajic, D.; Zadro, K.; Bartel, M.; Linert, W.
2004-01-01
Molecules provide the exciting opportunity to study magnetism on the passage from atomic to macroscopic level. One of the most interesting effects in such mesoscopic systems is the appearance of quantum tunnelling of magnetization (MQT) at low temperatures. In the last decade molecular chemistry has had a large impact in this field by providing new single molecule magnets. They consist of small clusters exhibiting superparamagnetic behavior, similar to that of conventional nanomagnetic particles. The advantage of these new materials is that they form macroscopic samples consisting of regularly arranged small identical high-spin clusters which are widely separated by organic molecules. The lack of distributions in size and shape of the magnetic clusters and the very weak intercluster interaction lead in principle to only one barrier for the spin reversal. We present detailed magnetic investigations on a Mn 12 -ac single crystal. In this compound the tetragonal ordered clusters consist of a central tetrahedron of four Mn 4+ (S = 3/2) atoms surrounded by eight Mn 3+ (S = 2) atoms with antiparallel oriented spins, leading to an overall spin moment of S = 10. In the hysteresis loops nine different jumps at regularly spaced fields are identified in the investigated temperature range (1.5 < T < 3 K). At these fields the relaxation of moment due to thermal activation is superimposed by strong quantum tunnelling. In lowering the temperature the time dependence changes from thermally activated to thermally assisted tunnelling. (author)
Macroscopic effects of the quantum trace anomaly
International Nuclear Information System (INIS)
Mottola, Emil; Vaulin, Ruslan
2006-01-01
The low energy effective action of gravity in any even dimension generally acquires nonlocal terms associated with the trace anomaly, generated by the quantum fluctuations of massless fields. The local auxiliary field description of this effective action in four dimensions requires two additional scalar fields, not contained in classical general relativity, which remain relevant at macroscopic distance scales. The auxiliary scalar fields depend upon boundary conditions for their complete specification, and therefore carry global information about the geometry and macroscopic quantum state of the gravitational field. The scalar potentials also provide coordinate invariant order parameters describing the conformal behavior and divergences of the stress tensor on event horizons. We compute the stress tensor due to the anomaly in terms of its auxiliary scalar potentials in a number of concrete examples, including the Rindler wedge, the Schwarzschild geometry, and de Sitter spacetime. In all of these cases, a small number of classical order parameters completely determine the divergent behaviors allowed on the horizon, and yield qualitatively correct global approximations to the renormalized expectation value of the quantum stress tensor
Measurement contextuality is implied by macroscopic realism
International Nuclear Information System (INIS)
Chen Zeqian; Montina, A.
2011-01-01
Ontological theories of quantum mechanics provide a realistic description of single systems by means of well-defined quantities conditioning the measurement outcomes. In order to be complete, they should also fulfill the minimal condition of macroscopic realism. Under the assumption of outcome determinism and for Hilbert space dimension greater than 2, they were all proved to be contextual for projective measurements. In recent years a generalized concept of noncontextuality was introduced that applies also to the case of outcome indeterminism and unsharp measurements. It was pointed out that the Beltrametti-Bugajski model is an example of measurement noncontextual indeterminist theory. Here we provide a simple proof that this model is the only one with such a feature for projective measurements and Hilbert space dimension greater than 2. In other words, there is no extension of quantum theory providing more accurate predictions of outcomes and simultaneously preserving the minimal labeling of events through projective operators. As a corollary, noncontextuality for projective measurements implies noncontextuality for unsharp measurements. By noting that the condition of macroscopic realism requires an extension of quantum theory, unless a breaking of unitarity is invoked, we arrive at the conclusion that the only way to solve the measurement problem in the framework of an ontological theory is by relaxing the hypothesis of measurement noncontextuality in its generalized sense.
Macroscopic reality and the dynamical reduction program
Energy Technology Data Exchange (ETDEWEB)
Ghirardi, G C
1995-10-01
With reference to recently proposed theoretical models accounting for reduction in terms of a unified dynamics governing all physical processes, we analyze the problem of working out a worldview accommodating our knowledge about natural phenomena. We stress the relevant conceptual differences between the considered models and standard quantum mechanics. In spite of the fact that both theories describe individual physical systems within a genuine Hilbert space framework, the nice features of spontaneous reduction theories drastically limit the class of states which are dynamically stable. This allows one to work out a description of the world in terms of a mass density function in ordinary configuration space. A topology based on this function and differing radically from the one characterizing the Hilbert space is introduced and in terms of it the idea of similarity of macroscopic situations is made precise. Finally it is shown how the formalism and the proposed interpretation yield a natural criterion for establishing the psychophysical parallelism. The conclusion is that, within the considered theoretical models and at the nonrelativistic level, one can satisfy all sensible requirements for a consistent, unified, and objective description of reality at the macroscopic level. (author). 16 refs.
Macroscopic quantum electrodynamics of high-Q cavities
Energy Technology Data Exchange (ETDEWEB)
Khanbekyan, Mikayel
2009-10-27
In this thesis macroscopic quantum electrodynamics in linear media was applied in order to develop an universally valid quantum theory for the description of the interaction of the electromagnetic field with atomic sources in high-Q cavities. In this theory a complete description of the characteristics of the emitted radiation is given. The theory allows to show the limits of the applicability of the usually applied theory. In order to establish an as possible generally valid theory first the atom-field interaction was studied in the framework of macroscopic quantum electrodynamics in dispersive and absorptive media. In order to describe the electromagnetic field from Maxwell's equations was started, whereby the noise-current densities, which are connected with the absorption of the medium, were included. The solution of these equations expresses the electromagnetic field variables by the noise-current densities by means of Green's tensor of the macroscopic Maxwell equations. The explicit quantization is performed by means of the noise-current densities, whereby a diagonal Hamiltonian is introduced, which then guarantees the time development according to Maxwell's equation and the fulfillment of the fundamental simultaneous commutation relations of the field variables. In the case of the interaction of the medium-supported field with atoms the Hamiltonian must be extended by atom-field interactions energies, whereby the canonical coupling schemes of the minimal or multipolar coupling can be used. The dieelectric properties of the material bodies as well as their shape are coded in the Green tensor of the macroscopic Maxwell equations. As preparing step first the Green tensor was specified in order to derive three-dimensional input-output relations for the electromagnetic field operators on a plane multilayer structure. Such a general dewscription of the electromagnetic field allows the inclusion both of dispersion and absorption of the media and the
Energy Technology Data Exchange (ETDEWEB)
Samper, Javier; Molinero, Jorge; Changbing Yang; Guoxiang Zhang [Univ. Da Coruna (Spain)
2003-12-01
The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behaviour and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by Banwart et al. Later, Banwart presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by Molinero who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulphate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of Molinero and extends the preliminary microbial model of Zhang by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfaphe concentration, thus adding additional evidence for the possibility
International Nuclear Information System (INIS)
Samper, Javier; Molinero, Jorge; Changbing Yang; Guoxiang Zhang
2003-12-01
The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behaviour and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by Banwart et al. Later, Banwart presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by Molinero who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulphate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of Molinero and extends the preliminary microbial model of Zhang by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfaphe concentration, thus adding additional evidence for the possibility
Energy Technology Data Exchange (ETDEWEB)
Samper, Javier; Molinero, Jorg; Changbing, Yang; Zhang, Guoxiang
2003-12-01
The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behavior and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by /Banwart et al, 1995/. Later, /Banwart et al, 1999/ presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by /Molinero, 2000/ who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulfate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of /Molinero, 2000/ and extends the preliminary microbial model of /Zhang, 2001/ by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfate concentration, thus
Thomas, M. A.; Kahnert, M.; Andersson, C.; Kokkola, H.; Hansson, U.; Jones, C.; Langner, J.; Devasthale, A.
2015-06-01
To reduce uncertainties and hence to obtain a better estimate of aerosol (direct and indirect) radiative forcing, next generation climate models aim for a tighter coupling between chemistry transport models and regional climate models and a better representation of aerosol-cloud interactions. In this study, this coupling is done by first forcing the Rossby Center regional climate model (RCA4) with ERA-Interim lateral boundaries and sea surface temperature (SST) using the standard cloud droplet number concentration (CDNC) formulation (hereafter, referred to as the "stand-alone RCA4 version" or "CTRL" simulation). In the stand-alone RCA4 version, CDNCs are constants distinguishing only between land and ocean surface. The meteorology from this simulation is then used to drive the chemistry transport model, Multiple-scale Atmospheric Transport and Chemistry (MATCH), which is coupled online with the aerosol dynamics model, Sectional Aerosol module for Large Scale Applications (SALSA). CDNC fields obtained from MATCH-SALSA are then fed back into a new RCA4 simulation. In this new simulation (referred to as "MOD" simulation), all parameters remain the same as in the first run except for the CDNCs provided by MATCH-SALSA. Simulations are carried out with this model setup for the period 2005-2012 over Europe, and the differences in cloud microphysical properties and radiative fluxes as a result of local CDNC changes and possible model responses are analysed. Our study shows substantial improvements in cloud microphysical properties with the input of the MATCH-SALSA derived 3-D CDNCs compared to the stand-alone RCA4 version. This model setup improves the spatial, seasonal and vertical distribution of CDNCs with a higher concentration observed over central Europe during boreal summer (JJA) and over eastern Europe and Russia during winter (DJF). Realistic cloud droplet radii (CD radii) values have been simulated with the maxima reaching 13 μm, whereas in the stand
Rose, Brian E. J.
2015-02-01
Ongoing controversy about Neoproterozoic Snowball Earth events motivates a theoretical study of stability and hysteresis properties of very cold climates. A coupled atmosphere-ocean-sea ice general circulation model (GCM) has four stable equilibria ranging from 0% to 100% ice cover, including a "Waterbelt" state with tropical sea ice. All four states are found at present-day insolation and greenhouse gas levels and with two idealized ocean basin configurations. The Waterbelt is stabilized against albedo feedback by intense but narrow wind-driven ocean overturning cells that deliver roughly 100 W m-2 heating to the ice edges. This requires three-way feedback between winds, ocean circulation, and ice extent in which circulation is shifted equatorward, following the baroclinicity at the ice margins. The thermocline is much shallower and outcrops in the tropics. Sea ice is snow-covered everywhere and has a minuscule seasonal cycle. The Waterbelt state spans a 46 W m-2 range in solar constant, has a significant hysteresis, and permits near-freezing equatorial surface temperatures. Additional context is provided by a slab ocean GCM and a diffusive energy balance model, both with prescribed ocean heat transport (OHT). Unlike the fully coupled model, these support no more than one stable ice margin, the position of which is slaved to regions of rapid poleward decrease in OHT convergence. Wide ranges of different climates (including the stable Waterbelt) are found by varying the magnitude and spatial structure of OHT in both models. Some thermodynamic arguments for the sensitivity of climate, and ice extent to OHT are presented.
International Nuclear Information System (INIS)
Mukhopadhyay, Sumit; Sonnenthal, Eric L.; Spycher, Nicolas
2007-01-01
When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO2 volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored. However
International Nuclear Information System (INIS)
Mukhopadhyay, S.; Sonnenthal, E.L.; Spycher, N.
2007-01-01
When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO 2 volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored. However
Monjas, Leticia; Swier, Lotteke J Y M; Setyawati, Inda; Slotboom, Dirk Jan; Hirsch, Anna Katharina Herta
2017-01-01
We applied dynamic combinatorial chemistry (DCC) to identify ligands of ThiT, the S-component of the energy-coupling factor (ECF) transporter for thiamine in Lactococcus lactis. We used a pre-equilibrated dynamic combinatorial library (DCL) and saturation-transfer difference (STD) NMR spectroscopy
Bouzat, Sebastián
2016-01-01
One-dimensional models coupling a Langevin equation for the cargo position to stochastic stepping dynamics for the motors constitute a relevant framework for analyzing multiple-motor microtubule transport. In this work we explore the consistence of these models focusing on the effects of the thermal noise. We study how to define consistent stepping and detachment rates for the motors as functions of the local forces acting on them in such a way that the cargo velocity and run-time match previously specified functions of the external load, which are set on the base of experimental results. We show that due to the influence of the thermal fluctuations this is not a trivial problem, even for the single-motor case. As a solution, we propose a motor stepping dynamics which considers memory on the motor force. This model leads to better results for single-motor transport than the approaches previously considered in the literature. Moreover, it gives a much better prediction for the stall force of the two-motor case, highly compatible with the experimental findings. We also analyze the fast fluctuations of the cargo position and the influence of the viscosity, comparing the proposed model to the standard one, and we show how the differences on the single-motor dynamics propagate to the multiple motor situations. Finally, we find that the one-dimensional character of the models impede an appropriate description of the fast fluctuations of the cargo position at small loads. We show how this problem can be solved by considering two-dimensional models.
Sentís, Manuel Lorenzo; Gable, Carl W.
2017-11-01
There are many applications in science and engineering modeling where an accurate representation of a complex model geometry in the form of a mesh is important. In applications of flow and transport in subsurface porous media, this is manifest in models that must capture complex geologic stratigraphy, structure (faults, folds, erosion, deposition) and infrastructure (tunnels, boreholes, excavations). Model setup, defined as the activities of geometry definition, mesh generation (creation, optimization, modification, refine, de-refine, smooth), assigning material properties, initial conditions and boundary conditions requires specialized software tools to automate and streamline the process. In addition, some model setup tools will provide more utility if they are designed to interface with and meet the needs of a particular flow and transport software suite. A control volume discretization that uses a two point flux approximation is for example most accurate when the underlying control volumes are 2D or 3D Voronoi tessellations. In this paper we will present the coupling of LaGriT, a mesh generation and model setup software suite and TOUGH2 (Pruess et al., 1999) to model subsurface flow problems and we show an example of how LaGriT can be used as a model setup tool for the generation of a Voronoi mesh for the simulation program TOUGH2. To generate the MESH file for TOUGH2 from the LaGriT output a standalone module Lagrit2Tough2 was developed, which is presented here and will be included in a future release of LaGriT. In this paper an alternative method to generate a Voronoi mesh for TOUGH2 with LaGriT is presented and thanks to the modular and command based structure of LaGriT this method is well suited to generating a mesh for complex models.
International Nuclear Information System (INIS)
Maertens, H.D.
1982-01-01
The inhomogenious structure of modern heavy water reactor fuel elements result in a strong spacial dependence of the neutron flux. The flux distribution can be calculated in detail by numerical methods, which describe exactly the geometrical heterogeniety and take into account the neutron flux anisotropy by higher transport theoretical approximations. Starting from the discrete ordinate method an approximation of the neutron transport equation has been developed, allowing for a cylindrical representation of the fuel-elements in a rectangular array of rods. The discretisation of the space variables, is based on the finite-difference approximation, defining a rectangular lattice in a two-dimensional cartesian coordinate system, which can be cut and replaced by circular mesh elements of a partially one-dimensional cylindrical coordinate system at arbitrary space points. To couple the two spacial regions the outer circle line of a cylindrical geometry is approximated in the cartesian system by a polygon with n >= 8. A cylindrical geometry is approximated in the cartesian system by a polygon with n>=8. A cylindrical geometry is thus enclosed by a system of two-dimensional rectangular, triangular and trapezoid mesh elements. The directional distribution of the neutron flux is conserved when switching from the xy-system to the cylindrical coordinate system. The angle discretisation by balanced sets of squares (EQsub(n)) allows a simple definition of transfer-coefficients for the redistribution of the neutron flux due to coordinate transformations. The procedure is verified and tested by selected problems. Possible applications and limits are discussed. (orig.) [de
International Nuclear Information System (INIS)
Shenoy, S.R.; Karlsruhe Univ.
1983-07-01
A two-dimensional NXN array of coupled Josephson junctions, each of size tau 0 and Josephson length lambdasub(JO)>>tau 0 , is shown to exhibit macroscopic weak superconductivity. The Josephson phase coherence here extends across the array, vanishing discontinuously at the Kosterlitz-Thouless transition temperature. The transverse size Ntau 0 must be smaller than a few times the effective Josephson screening length lambdasub(J)sup(eff) proportional to lambdasub(JO), for a sharp transition to be seen. (author)
Dong, Qingming; Sau, Amalendu
2016-06-01
Interfacial mass-transport and redistribution in the micro-scale liquid droplets are important in diverse fields of research interest. The role of the "inflow" and the "outflow" type convective eddy-pairs in the entrainment of outer solute and internal relocation are examined for different homogeneous and heterogeneous water droplet pairs appearing in a tandem arrangement. Two micro-droplets of pure (rain) water interact with an oncoming outer air stream (Re ≤ 100) contaminated by uniformly distributed SO2. By virtue of separation/attachment induced non-uniform interfacial shear-stress gradient, the well-defined inflow/outflow type pairs of recirculating eddy-based convective motion quickly develops, and the eddies effectively attract/repel the accumulated outer solute and control the physical process of mass-transport in the droplet-pair. The non-uniformly shear-driven flow interaction and bifurcation of the circulatory internal flow lead to growth of important micro-scale "secondary" eddies which suitably regroup with the adjacent "primary" one to create the sustained inflow/outflow type convective dynamics. The presently derived flow characteristics and in-depth analysis help to significantly improve our understanding of the micro-droplet based transport phenomena in a wider context. By tuning "Re" (defined in terms of the droplet diameter and the average oncoming velocity of the outer air) and gap-ratio "α," the internal convective forcing and the solute entrainment efficiency could be considerably enhanced. The quantitative estimates for mass entrainment, convective strength, and saturation characteristics for different coupled micro-droplet pairs are extensively examined here for 0.2 ≤ α ≤ 2.0 and 30 ≤ Re ≤ 100. Interestingly, for the compound droplets, with suitably tuned radius-ratio "B" (of upstream droplet with respect to downstream one) the generated "inflow" type coherent convective dynamics helped to significantly augment the centre
Directory of Open Access Journals (Sweden)
Michael P Siegel
Full Text Available Oxidative stress and mitochondrial function are at the core of many degenerative conditions. However, the interaction between oxidative stress and in vivo mitochondrial function is unclear. We used both pharmacological (2 week paraquat (PQ treatment of wild type mice and transgenic (mice lacking Cu, Zn-superoxide dismutase (SOD1(-/- models to test the effect of oxidative stress on in vivo mitochondrial function in skeletal muscle. Magnetic resonance and optical spectroscopy were used to measure mitochondrial ATP and oxygen fluxes and cell energetic state. In both models of oxidative stress, coupling of oxidative phosphorylation was significantly lower (lower P/O at rest in vivo in skeletal muscle and was dose-dependent in the PQ model. Despite this reduction in efficiency, in vivo mitochondrial phosphorylation capacity (ATPmax was maintained in both models, and ex vivo mitochondrial respiration in permeabilized muscle fibers was unchanged following PQ treatment. In association with the reduced P/O, PQ treatment led to a dose-dependent reduction in PCr/ATP ratio and increased phosphorylation of AMPK. These results indicate that oxidative stress uncouples oxidative phosphorylation in vivo and results in energetic stress in the absence of defects in the mitochondrial electron transport chain.
Energy Technology Data Exchange (ETDEWEB)
WANG,YIFENG; PAPENGUTH,HANS W.
2000-05-04
Microbial degradation of organic matter is a driving force in many subsurface geochemical systems, and therefore may have significant impacts on the fate of radionuclides released into subsurface environments. In this paper, the authors present a general reaction-transport model for microbial metabolism, redox chemistry, and radionuclide migration in subsurface systems. The model explicitly accounts for biomass accumulation and the coupling of radionuclide redox reactions with major biogeochemical processes. Based on the consideration that the biomass accumulation in subsurface environments is likely to achieve a quasi-steady state, they have accordingly modified the traditional microbial growth kinetic equation. They justified the use of the biogeochemical models without the explicit representation of biomass accumulation, if the interest of modeling is in the net impact of microbial reactions on geochemical processes. They then applied their model to a scenario in which an oxic water flow containing both uranium and completing organic ligands is recharged into an oxic aquifer in a carbonate formation. The model simulation shows that uranium can be reduced and therefore immobilized in the anoxic zone created by microbial degradation.
International Nuclear Information System (INIS)
Wang, Yifeng; Papenguth, Hans W.
2000-01-01
Microbial degradation of organic matter is a driving force in many subsurface geochemical systems, and therefore may have significant impacts on the fate of radionuclides released into subsurface environments. In this paper, the authors present a general reaction-transport model for microbial metabolism, redox chemistry, and radionuclide migration in subsurface systems. The model explicitly accounts for biomass accumulation and the coupling of radionuclide redox reactions with major biogeochemical processes. Based on the consideration that the biomass accumulation in subsurface environments is likely to achieve a quasi-steady state, they have accordingly modified the traditional microbial growth kinetic equation. They justified the use of the biogeochemical models without the explicit representation of biomass accumulation, if the interest of modeling is in the net impact of microbial reactions on geochemical processes. They then applied their model to a scenario in which an oxic water flow containing both uranium and completing organic ligands is recharged into an oxic aquifer in a carbonate formation. The model simulation shows that uranium can be reduced and therefore immobilized in the anoxic zone created by microbial degradation
International Nuclear Information System (INIS)
Edlund, D.J.; Friesen, D.T.; Ray, R.J.; Scholfield, R.W.
1993-01-01
Two membrane processes - reverse osmosis (RO) and coupled transport (CT) - are useful in removing heavy metals from aqueous solutions and producing purified water. Each process has advantages. RO produces clean water reliably and relatively inexpensively. However, the pollutants are removed nonselectively and cannot be appreciably concentrated. CT removes pollutants selectively and can concentrate them by several orders of magnitude, but CT suffers from limited reliability and performs poorly at low pollutant concentrations. By combining these two unit processes in a hybrid process, it is possible to capitalize on the advantages of each process and to minimize their disadvantages. The RO/CT hybrid process the authors are developing removes more than 98% of the uranium and chromium in a contaminated groundwater stream - reducing concentrations of each pollutant to less than 100 ppb. These pollutants are simultaneously recovered as a concentrate at metal-ion concentrations greater than 1 wt% in relatively pure form. The hybrid process promises to be reliable and to reduce treatment costs below that for costs if either CT or RO were used alone. Even more importantly, the high selectivity of the hybrid process minimizes the volume of waste requiring disposal
International Nuclear Information System (INIS)
Cariou, S.
2010-07-01
This thesis deals with the hydro-mechanical behaviour of argillite. Classical Biot theory is shown to be badly adapted to the case of argillite. An original state equation is then built by use of homogenization tools, and takes into account the microstructure of argillite as well as physical phenomena happening inside the material, like the swelling overpressure inside the clay particles or the capillary effects in the porous network. This state equation explains some experiments which were not by the classical Biot theory. It is then improved by integrating the experimental data that are the dependency of the elasticity tensor with the saturation degree and the existence of a porosity surrounding the inclusions. Combined with the monitoring of length variation under hydric loading, this relevant state equation permits one to determine the Biot tensor of argillite. Since this state equation is coupled with the hydric state of the material, one is interested in modelling the variation of the saturation degree during a drying process. Two transport models are studied and compared, then a model for the porous network is proposed in order to explain the unusual permeability measurements. (author)
Bedel, M.; Založnik, M.; Kumar, A.; Combeau, H.; Jarry, P.; Waz, E.
2012-01-01
The grain structure formation in direct chill (DC) casting is directly linked to nucleation, which is generally promoted by inoculation. Inoculation prevents defects, but also modifies the physical properties by changing the microstructure. We studied the coupling of the nucleation on inoculant particles and the grain growth in the presence of melt flow induced by thermosolutal convection and of the transport of free-floating equiaxed grains. We used a volume-averaged two-phase multiscale model with a fully coupled description of phenomena on the grain scale (nucleation on grain refiner particles and grain growth) and on the product scale (macroscopic transport). The transport of inoculant particles is also modeled, which accounts for the inhomogeneous distribution of inoculant particles in the melt. The model was applied to an industrial sized (350mm thick) DC cast aluminium alloy ingot. A discretised nuclei size distribution was defined and the impact of different macroscopic phenomena on the grain structure formation was studied: the zone and intensity of nucleation and the resulting grain size distribution. It is shown that nucleation in the presence of macroscopic transport cannot be explained only in terms of cooling rate, but variations of composition, nuclei density and grain density, all affected by transport, must be accounted for.
Partitioning a macroscopic system into independent subsystems
Delle Site, Luigi; Ciccotti, Giovanni; Hartmann, Carsten
2017-08-01
We discuss the problem of partitioning a macroscopic system into a collection of independent subsystems. The partitioning of a system into replica-like subsystems is nowadays a subject of major interest in several fields of theoretical and applied physics. The thermodynamic approach currently favoured by practitioners is based on a phenomenological definition of an interface energy associated with the partition, due to a lack of easily computable expressions for a microscopic (i.e. particle-based) interface energy. In this article, we outline a general approach to derive sharp and computable bounds for the interface free energy in terms of microscopic statistical quantities. We discuss potential applications in nanothermodynamics and outline possible future directions.
Quantum teleportation between stationary macroscopic objects
Energy Technology Data Exchange (ETDEWEB)
Bao, Xiao-Hui; Yuan, Zhen-Sheng; Pan, Jian-Wei [Physikalisches Institut, Universitaet Heidelberg (Germany); Hefei National Laboratory for Physical Sciences at Microscale, Department of Modern Physics, University of Science and Technology of China, Hefei (China); Xu, Xiao-Fan [Physikalisches Institut, Universitaet Heidelberg (Germany); Li, Che-Ming [Physikalisches Institut, Universitaet Heidelberg (Germany); Department of Physics, National Center for Theoretical Sciences, National Cheng Kung University, Tainan (China)
2010-07-01
Quantum teleportation is a process to transfer a quantum state of an object without transferring the state carrier itself. So far, most of the teleportation experiments realized are within the photonic regime. For the teleportation of stationary states, the largest system reported is a single ion. We are now performing an experiment to teleport the state of an macroscopic atomic cloud which consists about 10{sup 6} single atoms. In our experiment two atomic ensembles are utilized. In the first ensemble A we prepare the collective atomic state to be teleported using the quantum feedback technique. The second ensemble B is utilized to generate entanglement between it collective state with a scattered single-photon. Teleportation is realized by converting the atomic state of A to a single-photon and making a Bell state measurement with the scattered single-photon from ensemble B.
Macroscopic balance model for wave rotors
Welch, Gerard E.
1996-01-01
A mathematical model for multi-port wave rotors is described. The wave processes that effect energy exchange within the rotor passage are modeled using one-dimensional gas dynamics. Macroscopic mass and energy balances relate volume-averaged thermodynamic properties in the rotor passage control volume to the mass, momentum, and energy fluxes at the ports. Loss models account for entropy production in boundary layers and in separating flows caused by blade-blockage, incidence, and gradual opening and closing of rotor passages. The mathematical model provides a basis for predicting design-point wave rotor performance, port timing, and machine size. Model predictions are evaluated through comparisons with CFD calculations and three-port wave rotor experimental data. A four-port wave rotor design example is provided to demonstrate model applicability. The modeling approach is amenable to wave rotor optimization studies and rapid assessment of the trade-offs associated with integrating wave rotors into gas turbine engine systems.
National Research Council Canada - National Science Library
Adams, James; Carr, Ron; Chebl, Maroun; Coleman, Robert; Costantini, William; Cox, Robert; Dial, William; Jenkins, Robert; McGovern, James; Mueller, Peter
2006-01-01
...., trains, ships, etc.) and maximizing intermodal efficiency. A healthy balance must be achieved between the flow of international commerce and security requirements regardless of transportation mode...
Lu, Zexi; Wang, Yan; Ruan, Xiulin
2016-02-01
The standard two-temperature equations for electron-phonon coupled thermal transport across metal/nonmetal interfaces are modified to include the possible coupling between metal electrons with substrate phonons. The previous two-temperature molecular dynamics (TT-MD) approach is then extended to solve these equations numerically at the atomic scale, and the method is demonstrated using Cu/Si interface as an example. A key parameter in TT-MD is the nonlocal coupling distance of metal electrons and nonmetal phonons, and here we use two different approximations. The first is based on Overhauser's "joint-modes" concept, while we use an interfacial reconstruction region as the length scale of joint region rather than the phonon mean-free path as in Overhauser's original model. In this region, the metal electrons can couple to the joint phonon modes. The second approximation is the "phonon wavelength" concept where electrons couple to phonons nonlocally within the range of one phonon wavelength. Compared with the original TT-MD, including the cross-interface electron-phonon coupling can slightly reduce the total thermal boundary resistance. Whether the electron-phonon coupling within the metal block is nonlocal or not does not make an obvious difference in the heat transfer process. Based on the temperature profiles from TT-MD, we construct a new mixed series-parallel thermal circuit. We show that such a thermal circuit is essential for understanding metal/nonmetal interfacial transport, while calculating a single resistance without solving temperature profiles as done in most previous studies is generally incomplete. As a comparison, the simple series circuit that neglects the cross-interface electron-phonon coupling could overestimate the interfacial resistance, while the simple parallel circuit in the original Overhauser's model underestimates the total interfacial resistance.
DEFF Research Database (Denmark)
Prabhala, Bala K; Aduri, Nanda G; Iqbal, Mazhar
2017-01-01
transported by hPepT1. The transport of these drugs was evaluated using the prototypical POT YdgR from E. coli. The transport studies were pursued through combining cell-based assays with liquid chromatography-tandem mass spectrometric (LC-MS/MS) analysis. These investigations revealed that YdgR from E. coli...
Macroscopic modeling for heat and water vapor transfer in dry snow by homogenization.
Calonne, Neige; Geindreau, Christian; Flin, Frédéric
2014-11-26
Dry snow metamorphism, involved in several topics related to cryospheric sciences, is mainly linked to heat and water vapor transfers through snow including sublimation and deposition at the ice-pore interface. In this paper, the macroscopic equivalent modeling of heat and water vapor transfers through a snow layer was derived from the physics at the pore scale using the homogenization of multiple scale expansions. The microscopic phenomena under consideration are heat conduction, vapor diffusion, sublimation, and deposition. The obtained macroscopic equivalent model is described by two coupled transient diffusion equations including a source term arising from phase change at the pore scale. By dimensional analysis, it was shown that the influence of such source terms on the overall transfers can generally not be neglected, except typically under small temperature gradients. The precision and the robustness of the proposed macroscopic modeling were illustrated through 2D numerical simulations. Finally, the effective vapor diffusion tensor arising in the macroscopic modeling was computed on 3D images of snow. The self-consistent formula offers a good estimate of the effective diffusion coefficient with respect to the snow density, within an average relative error of 10%. Our results confirm recent work that the effective vapor diffusion is not enhanced in snow.
Testing quantum mechanics against macroscopic realism using the output of χ(2) nonlinearity
International Nuclear Information System (INIS)
Podoshvedov, Sergey A.; Kim, Jaewan
2006-01-01
We suggest an all-optical scheme to generate entangled superposition of a single photon with macroscopic entangled states for testing macroscopic realism. The scheme consists of source of single photons, a Mach-Zehnder interferometer in routes of which a system of coupled-down converters with type-I phase matching is inserted, and a beam splitter for the other auxiliary modes of the scheme. We use quantization of the pumping modes, depletion of the coherent states passing through the system, and interference effect in the pumping modes in the process of erasing which-path information of the single-photon on exit from the Mach-Zehnder interferometer. We show the macroscopic fields of the output superposition are distinguishable states. This scheme generates macroscopic entangled state that violates Bell's inequality. Moreover, the detailed analysis concerning change of amplitudes of entangled superposition by means of repeating this process many times is accomplished. We show our scheme works without photon number resolving detection and it is robust to detector inefficiency
Models for universal reduction of macroscopic quantum fluctuations
International Nuclear Information System (INIS)
Diosi, L.
1988-10-01
If quantum mechanics is universal, then macroscopic bodies would, in principle, possess macroscopic quantum fluctuations (MQF) in their positions, orientations, densities etc. Such MQF, however, are not observed in nature. The hypothesis is adopted that the absence of MQF is due to a certain universal mechanism. Gravitational measures were applied for reducing MQF of the mass density. This model leads to classical trajectories in the macroscopic limit of translational motion. For massive objects, unwanted macroscopic superpositions of quantum states will be destroyed within short times. (R.P.) 34 refs
International Nuclear Information System (INIS)
Anon.
1998-01-01
Here is the decree of the thirtieth of July 1998 relative to road transportation, to trade and brokerage of wastes. It requires to firms which carry out a road transportation as well as to traders and to brokers of wastes to declare their operations to the prefect. The declaration has to be renewed every five years. (O.M.)
New limits on the detection of a composition-dependent macroscopic force
International Nuclear Information System (INIS)
Boynton, P.; Aronson, S.
1990-01-01
We report here on a continuing experimental search for a macroscopic, composition dependent force coupling to ordinary matter. Within the phenomenological framework commonly employed -- a Yukawa representation of the interaction potential, and composition specified as some linear combination of baryon and lepton numbers -- the Index 3 experiment sets the most stringent upper limits yet on the interaction strength for coupling from B-2L to B-L, and for an interaction range from 200 m to 10 km. It is also the first null result to conflict with the marginal detection reported for the Index 1 experiment for all relevant values of the composition and range parameters
DEFF Research Database (Denmark)
Zeuthen, Thomas; Belhage, Bo; Zeuthen, Emil
2005-01-01
and osmosis at the membrane with diffusion in the cytoplasm. The combination of high resolution measurements and precise modelling showed that water transport across the membrane can be explained by cotransport of water in the membrane proteins and that intracellular unstirred layers effects are minute.......The relation between substrate and water transport was studied in Na+-coupled cotransporters of glucose (SGLT1) and of iodide (NIS) expressed in Xenopus oocytes. The water transport was monitored from changes in oocyte volume at a resolution of 20 pl, more than one order of magnitude better than...... previous investigations. The rate of cotransport was monitored as the clamp current obtained from two-electrode voltage clamp. The high resolution data demonstrated a fixed ratio between the turn-over of the cotransporter and the rate of water transport. This applied to experiments in which the rate...
Directory of Open Access Journals (Sweden)
Claudio Tamagnini
2010-03-01
Full Text Available A theoretical and numerical model is developed for the quantitative analysis of coupled processes taking place in active waste containment systems, such as electrokinetic barriers or fences, in which alow intensity DC current is circulated across the clay barrier to move polar and non-polar contaminants. A novel feature of the proposed approach is the allowance for the presence of air in the pore space. Under unsaturated conditions, all transport coefficients involved in the electrokinetic process are strongly dependent on the degree of saturation of pore liquid. In order to assess the predictive capability of the proposed theory and to appreciate the impact of gas production at the electrodes, a series of numerical simulations of simple onedimensional electrokinetic tests have been performed. The results of the simulations compare reasonably well with data obtained from laboratory experiments performed on an illitic clayey silt. The numerical results indicate that the impact of gas production at the electrodes can be significant, even in low-intensity and short-duration treatments.Um modelo teórico e computacional é desenvolvido para a análise quantitativa de processos acoplados que tomam lugar em sistemas de contenção de lixo tais como barreiras ou grades eletrocinéticas no qual uma DC corrente de baixa intensidade é circulada através da barreira de argila para movimentar contaminantes polares e não polares. Uma nova característica da abordagem proposta é permitir a presença de ar nos poros. Sob condições não saturadas todos os coeficientes de transporte envolvidos nos processos eletrocinéticos são fortemente dependentes do grau de saturação do líquido. Com o objetivo de avaliar a capacidade do modelo proposto de predizer e de apreciar o impacto da produção de gás nos eletrodos uma série de simulações numéricas foi realizada em testes eletrocinéticos simples unidimensionais. Os resultados das simulações concordam
Minic, Zeljka; Zhang, Yanhua; Mao, Guangzhao; Goshgarian, Harry G
2016-03-23
Respiratory complications in patients with spinal cord injury (SCI) are common and have a negative impact on the quality of patients' lives. Systemic administration of drugs that improve respiratory function often cause deleterious side effects. The present study examines the applicability of a novel nanotechnology-based drug delivery system, which induces recovery of diaphragm function after SCI in the adult rat model. We developed a protein-coupled nanoconjugate to selectively deliver by transsynaptic transport small therapeutic amounts of an A1 adenosine receptor antagonist to the respiratory centers. A single administration of the nanoconjugate restored 75% of the respiratory drive at 0.1% of the systemic therapeutic drug dose. The reduction of the systemic dose may obviate the side effects. The recovery lasted for 4 weeks (the longest period studied). These findings have translational implications for patients with respiratory dysfunction after SCI. The leading causes of death in humans following SCI are respiratory complications secondary to paralysis of respiratory muscles. Systemic administration of methylxantines improves respiratory function but also leads to the development of deleterious side effects due to actions of the drug on nonrespiratory sites. The importance of the present study lies in the novel drug delivery approach that uses nanotechnology to selectively deliver recovery-inducing drugs to the respiratory centers exclusively. This strategy allows for a reduction in the therapeutic drug dose, which may reduce harmful side effects and markedly improve the quality of life for SCI patients. Copyright © 2016 the authors 0270-6474/16/363441-12$15.00/0.
Directory of Open Access Journals (Sweden)
Song-Ling Tsai
2016-01-01
Full Text Available The Laser Direct Synthesis and Patterning (LDSP technology has advantages in terms of processing time and cost compared to nanomaterials-based laser additive microfabrication processes. In LDSP, a scanning laser on the substrate surface induces chemical reactions in the reactive liquid solution and selectively deposits target material in a preselected pattern on the substrate. In this study, we experimentally investigated the effect of the processing parameters and type and concentration of the additive solvent on the properties and growth rate of the resulting metal film fabricated by this LDSP technology. It was shown that reactive metal ion solutions with substantial viscosity yield metal films with superior physical properties. A numerical analysis was also carried out the first time to investigate the coupled opto-thermo-fluidic transport phenomena and the effects on the metal film growth rate. To complete the simulation, the optical properties of the LDSP deposited metal film with a variety of thicknesses were measured. The characteristics of the temperature field and the thermally induced flow associated with the moving heat source are discussed. It was shown that the processing temperature range of the LDSP is from 330 to 390 K. A semi-empirical model for estimating the metal film growth rate using this process was developed based on these results. From the experimental and numerical results, it is seen that, owing to the increased reflectivity of the silver film as its thickness increases, the growth rate decreases gradually from about 40 nm at initial to 10 nm per laser scan after ten scans. This self-controlling effect of LDSP process controls the thickness and improves the uniformity of the fabricated metal film. The growth rate and resulting thickness of the metal film can also be regulated by adjustment of the processing parameters, and thus can be utilized for controllable additive nano/microfabrication.
Jiang, Jiamin; Younis, Rami M.
2017-10-01
In the presence of counter-current flow, nonlinear convergence problems may arise in implicit time-stepping when the popular phase-potential upwinding (PPU) scheme is used. The PPU numerical flux is non-differentiable across the co-current/counter-current flow regimes. This may lead to cycles or divergence in the Newton iterations. Recently proposed methods address improved smoothness of the numerical flux. The objective of this work is to devise and analyze an alternative numerical flux scheme called C1-PPU that, in addition to improving smoothness with respect to saturations and phase potentials, also improves the level of scalar nonlinearity and accuracy. C1-PPU involves a novel use of the flux limiter concept from the context of high-resolution methods, and allows a smooth variation between the co-current/counter-current flow regimes. The scheme is general and applies to fully coupled flow and transport formulations with an arbitrary number of phases. We analyze the consistency property of the C1-PPU scheme, and derive saturation and pressure estimates, which are used to prove the solution existence. Several numerical examples for two- and three-phase flows in heterogeneous and multi-dimensional reservoirs are presented. The proposed scheme is compared to the conventional PPU and the recently proposed Hybrid Upwinding schemes. We investigate three properties of these numerical fluxes: smoothness, nonlinearity, and accuracy. The results indicate that in addition to smoothness, nonlinearity may also be critical for convergence behavior and thus needs to be considered in the design of an efficient numerical flux scheme. Moreover, the numerical examples show that the C1-PPU scheme exhibits superior convergence properties for large time steps compared to the other alternatives.
International Nuclear Information System (INIS)
Devarajan, U; Kannan, M; Thiyagarajan, R; Arumugam, S; Manivel Raja, M; Rama Rao, N V; Singh, Sanjay; Venkateshwarlu, D; Ganesan, V; Ohashi, M
2016-01-01
In the present work, the magnetocaloric and transport properties of Ni 2.2 Mn 0.72−x V x Ga 1.08 (x = 0.0, 0.04, 0.08, 0.12) magnetic shape memory alloys are investigated. The alloys show a coupled magnetostructural transition from paramagnetic austenite to ferromagnetic martensite in a composition range of 0 ⩽ x ⩽ 0.08. For higher V substitution (x = 0.12), the martensite transition is lower than the conventional ferromagnetic transition. Large magnetic entropy change values of about 12.4, 16.2 and 19 J kg −1 K −1 and corresponding refrigeration capacities of 60.6, 82.5, and 103 J kg −1 were observed for x = 0, 0.04 and 0.08 alloys, respectively. The above two parameters linearly increase with increasing magnetic field. The indirect adiabatic temperature change calculated from the heat capacity measurement is found to be at its maximum for x = 0.12 at H = 8 T. The magnetoresistance is observed to increase from 0% (x = 0.12) to 28% (x = 0) at the maximum field of 8 T. The Sommerfeld coefficients are almost the same for the parent and a V-doped sample, which reveals a low free electron density, and the Debye coefficients decrease with an increase in V doping, confirming the phenomenon of electron–phonon scattering. The critical exponents at second order magnetic transition for x = 0.12 are calculated as β = 0.482, γ = 1.056, δ = 3.021, which agrees closely with mean field theory. (paper)
Coupled energy-drift and force-balance equations for high-field hot-carrier transport
International Nuclear Information System (INIS)
Huang, Danhong; Alsing, P.M.; Apostolova, T.; Cardimona, D.A.
2005-01-01
Coupled energy-drift and force-balance equations that contain a frictional force for the center-of-mass motion of electrons are derived for hot-electron transport under a strong dc electric field. The frictional force is found to be related to the net rate of phonon emission, which takes away the momentum of a phonon from an electron during each phonon-emission event. The net rate of phonon emission is determined by the Boltzmann scattering equation, which depends on the distribution of electrons interacting with phonons. The work done by the frictional force is included into the energy-drift equation for the electron-relative scattering motion and is found to increase the thermal energy of the electrons. The importance of the hot-electron effect in the energy-drift term under a strong dc field is demonstrated in reducing the field-dependent drift velocity and mobility. The Doppler shift in the energy conservation of scattering electrons interacting with impurities and phonons is found to lead to an anisotropic distribution of electrons in the momentum space along the field direction. The importance of this anisotropic distribution is demonstrated through a comparison with the isotropic energy-balance equation, from which we find that defining a state-independent electron temperature becomes impossible. To the leading order, the energy-drift equation is linearized with a distribution function by expanding it into a Fokker-Planck-type equation, along with the expansions of both the force-balance equation and the Boltzmann scattering equation for hot phonons
Energy Technology Data Exchange (ETDEWEB)
Yan, Zhifeng [Institute of Surface-Earth System Science, Tianjin University, Tianjin China; Pacific Northwest National Laboratory, Richland WA USA; Liu, Chongxuan [Pacific Northwest National Laboratory, Richland WA USA; School of Environmental Science and Engineering, Southern University of Science and Technology, Shenzhen China; Liu, Yuanyuan [Pacific Northwest National Laboratory, Richland WA USA; School of Earth Science and Engineering, Nanjing University, Nanjing China; Bailey, Vanessa L. [Pacific Northwest National Laboratory, Richland WA USA
2017-11-01
Biofilms are critical locations for biogeochemical reactions in the subsurface environment. The occurrence and distribution of biofilms at microscale as well as their impacts on macroscopic biogeochemical reaction rates are still poorly understood. This paper investigated the formation and distributions of biofilms in heterogeneous sediments using multiscale models, and evaluated the effects of biofilm heterogeneity on local and macroscopic biogeochemical reaction rates. Sediment pore structures derived from X-ray computed tomography were used to simulate the microscale flow dynamics and biofilm distribution in the sediment column. The response of biofilm formation and distribution to the variations in hydraulic and chemical properties was first examined. One representative biofilm distribution was then utilized to evaluate its effects on macroscopic reaction rates using nitrate reduction as an example. The results revealed that microorganisms primarily grew on the surfaces of grains and aggregates near preferential flow paths where both electron donor and acceptor were readily accessible, leading to the heterogeneous distribution of biofilms in the sediments. The heterogeneous biofilm distribution decreased the macroscopic rate of biogeochemical reactions as compared with those in homogeneous cases. Operationally considering the heterogeneous biofilm distribution in macroscopic reactive transport models such as using dual porosity domain concept can significantly improve the prediction of biogeochemical reaction rates. Overall, this study provided important insights into the biofilm formation and distribution in soils and sediments as well as their impacts on the macroscopic manifestation of reaction rates.
National Research Council Canada - National Science Library
Allshouse, Michael; Armstrong, Frederick Henry; Burns, Stephen; Courts, Michael; Denn, Douglas; Fortunato, Paul; Gettings, Daniel; Hansen, David; Hoffman, D. W; Jones, Robert
2007-01-01
.... The ability of the global transportation industry to rapidly move passengers and products from one corner of the globe to another continues to amaze even those wise to the dynamics of such operations...
Macroscopic objects in quantum mechanics: A combinatorial approach
International Nuclear Information System (INIS)
Pitowsky, Itamar
2004-01-01
Why do we not see large macroscopic objects in entangled states? There are two ways to approach this question. The first is dynamic. The coupling of a large object to its environment cause any entanglement to decrease considerably. The second approach, which is discussed in this paper, puts the stress on the difficulty of observing a large-scale entanglement. As the number of particles n grows we need an ever more precise knowledge of the state and an ever more carefully designed experiment, in order to recognize entanglement. To develop this point we consider a family of observables, called witnesses, which are designed to detect entanglement. A witness W distinguishes all the separable (unentangled) states from some entangled states. If we normalize the witness W to satisfy tr(Wρ)≤1 for all separable states ρ, then the efficiency of W depends on the size of its maximal eigenvalue in absolute value; that is, its operator norm parallel W parallel . It is known that there are witnesses on the space of n qubits for which parallel W parallel is exponential in n. However, we conjecture that for a large majority of n-qubit witnesses parallel W parallel ≤O(√(n log n)). Thus, in a nonideal measurement, which includes errors, the largest eigenvalue of a typical witness lies below the threshold of detection. We prove this conjecture for the family of extremal witnesses introduced by Werner and Wolf [Phys. Rev. A 64, 032112 (2001)
Cloud Macroscopic Organization: Order Emerging from Randomness
Yuan, Tianle
2011-01-01
Clouds play a central role in many aspects of the climate system and their forms and shapes are remarkably diverse. Appropriate representation of clouds in climate models is a major challenge because cloud processes span at least eight orders of magnitude in spatial scales. Here we show that there exists order in cloud size distribution of low-level clouds, and that it follows a power-law distribution with exponent gamma close to 2. gamma is insensitive to yearly variations in environmental conditions, but has regional variations and land-ocean contrasts. More importantly, we demonstrate this self-organizing behavior of clouds emerges naturally from a complex network model with simple, physical organizing principles: random clumping and merging. We also demonstrate symmetry between clear and cloudy skies in terms of macroscopic organization because of similar fundamental underlying organizing principles. The order in the apparently complex cloud-clear field thus has its root in random local interactions. Studying cloud organization with complex network models is an attractive new approach that has wide applications in climate science. We also propose a concept of cloud statistic mechanics approach. This approach is fully complementary to deterministic models, and the two approaches provide a powerful framework to meet the challenge of representing clouds in our climate models when working in tandem.
Searching for the nanoscopic–macroscopic boundary
Energy Technology Data Exchange (ETDEWEB)
Velásquez, E.A. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Grupo de Investigación en Modelamiento y Simulación Computacional, Universidad de San Buenaventura Sec. Medellín, A.A. 5222, Medellín (Colombia); Altbir, D. [Departamento de Física, Universidad de Santiago de Chile (USACH), CEDENNA, Santiago (Chile); Mazo-Zuluaga, J. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Duque, L.F. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Grupo de Física Teórica, Aplicada y Didáctica, Facultad de Ciencias Exactas y Aplicadas Instituto Tecnológico Metropolitano, Medellín (Colombia); Mejía-López, J., E-mail: jmejia@puc.cl [Facultad de Física, Pontificia Universidad Católica de Chile, CEDENNA, Santiago (Chile)
2013-12-15
Several studies have focused on the size-dependent properties of elements, looking for a unique definition of the nanoscopic–macroscopic boundary. By using a novel approach consisting of an energy variational method combined with a quantum Heisenberg model, here we address the size at which the ordering temperature of a magnetic nanoparticle reaches its bulk value. We consider samples with sizes in the range 1–500 nm, as well as several geometries and crystalline lattices and observe that, contrarily to what is commonly argued, the nanoscopic-microscopic boundary depends on both factors: shape and crystalline structure. This suggests that the surface-to-volume ratio is not the unique parameter that defines the behavior of a nanometric sample whenever its size increases reaching the bulk dimension. Comparisons reveal very good agreement with experimental evidence with differences less than 2%. Our results have broad implications for practical issues in measurements on systems at the nanometric scale. - Highlights: • A novel quantum-Heisenberg variational energy method is implemented. • The asymptotic behavior toward the thermodynamic limit is explored. • An important dependence of the nano-bulk boundary on the geometry is found. • And also an important dependence on the crystalline lattice. • We obtain a very good agreement with experimental evidence with differences <2%.
Adiabatic process reversibility: microscopic and macroscopic views
International Nuclear Information System (INIS)
Anacleto, Joaquim; Pereira, Mario G
2009-01-01
The reversibility of adiabatic processes was recently addressed by two publications. In the first (Miranda 2008 Eur. J. Phys. 29 937-43), an equation was derived relating the initial and final volumes and temperatures for adiabatic expansions of an ideal gas, using a microscopic approach. In that relation the parameter r accounts for the process reversibility, ranging between 0 and 1, which corresponds to the free and reversible expansion, respectively. In the second (Anacleto and Pereira 2009 Eur. J. Phys. 30 177-83), the authors have shown that thermodynamics can effectively and efficiently be used to obtain the general law for adiabatic processes carried out by an ideal gas, including compressions, for which r≥1. The present work integrates and extends the aforementioned studies, providing thus further insights into the analysis of the adiabatic process. It is shown that Miranda's work is wholly valid for compressions. In addition, it is demonstrated that the adiabatic reversibility coefficient given in terms of the piston velocity and the root mean square velocity of the gas particles is equivalent to the macroscopic description, given just by the quotient between surroundings and system pressure values. (letters and comments)
Theory of superfluidity macroscopic quantum waves
International Nuclear Information System (INIS)
Ventura, I.
1978-10-01
A new description of superfluidity is proposed, based upon the fact that Bogoliubov's theory of superfluidity exhibits some so far unsuspected macroscopic quantum waves (MQWs), which have a topological nature and travel within the fluid at subsonic velocities. To quantize the bounded quasi-particles the field theoretic version of the Bohr-Sommerfeld quantization rule, is employed and also resort to a variational computation. In an instantaneous configuration the MQWs cut the condensate into blocks of phase, providing, by analogy with ferromagnetism, a nice explanation of what could be the lambda-transition. A crude estimate of the critical temperature gives T sub(c) approximately equal to 2-4K. An attempt is made to understand Tisza's two-fluid model in terms of the MQWs, and we rise the conjecture that they play an important role in the motion of second. We present also a qualitative prediction concerning to the behavior of the 'phononroton' peak below 1.0K, and propose two experiments to look for MQWs [pt
Investigation of dissipative forces near macroscopic media
International Nuclear Information System (INIS)
Becker, R.S.
1982-12-01
The interaction of classical charged particles with the fields they induce in macroscopic dielectric media is investigated. For 10- to 1000-eV electrons, the angular perturbation of the trajectory by the image potential for surface impact parameters of 50 to 100 A is shown to be of the order of 0.001 rads over a distance of 100 A. The energy loss incurred by low-energy particles due to collective excitations such as surface plasmons is shown to be observable with a transition probability of 0.01 to 0.001 (Becker, et al., 1981b). The dispersion of real surface plasmon modes in planar and cylindrical geometries is discussed and is derived for pinhole geometry described in terms of a single-sheeted hyperboloid of revolution. An experimental apparatus for the measurement of collective losses for medium-energy electrons translating close to a dielectric surface is described and discussed. Data showing such losses at electron energies of 500 to 900 eV in silver foils containing many small apertures are presented and shown to be in good agreement with classical stopping power calculations and quantum mechanical calculations carried out in the low-velocity limit. The data and calculations are compared and contrasted with earlier transmission and reflection measurements, and the course of further investigation is discussed
The Proell Effect: A Macroscopic Maxwell's Demon
Rauen, Kenneth M.
2011-12-01
Maxwell's Demon is a legitimate challenge to the Second Law of Thermodynamics when the "demon" is executed via the Proell effect. Thermal energy transfer according to the Kinetic Theory of Heat and Statistical Mechanics that takes place over distances greater than the mean free path of a gas circumvents the microscopic randomness that leads to macroscopic irreversibility. No information is required to sort the particles as no sorting occurs; the entire volume of gas undergoes the same transition. The Proell effect achieves quasi-spontaneous thermal separation without sorting by the perturbation of a heterogeneous constant volume system with displacement and regeneration. The classical analysis of the constant volume process, such as found in the Stirling Cycle, is incomplete and therefore incorrect. There are extra energy flows that classical thermo does not recognize. When a working fluid is displaced across a regenerator with a temperature gradient in a constant volume system, complimentary compression and expansion work takes place that transfers energy between the regenerator and the bulk gas volumes of the hot and cold sides of the constant volume system. Heat capacity at constant pressure applies instead of heat capacity at constant volume. The resultant increase in calculated, recyclable energy allows the Carnot Limit to be exceeded in certain cycles. Super-Carnot heat engines and heat pumps have been designed and a US patent has been awarded.
Prabhala, Bala K; Aduri, Nanda G; Iqbal, Mazhar; Rahman, Moazur; Gajhede, Michael; Hansen, Paul R; Mirza, Osman
2017-06-01
Proton-dependent oligopeptide transporters (POTs) are secondary active transporters found in all kingdoms of life. POTs utilize the proton electrochemical gradient for the uptake of nutrient dipeptides and tripeptides. The human POT hPepT1 is known to transport a number of drugs. As part of ongoing studies on substrate specificities of POTs from Escherichia coli, our aim in this study was to investigate whether bacterial POTs could also transport these drugs. For this, we selected the common orally administered drugs sulpiride, bestatin, valacyclovir, ampicillin and oseltamivir, that are all transported by hPepT1. The transport of these drugs was evaluated using the prototypical POT YdgR from E. coli. The transport studies were pursued through combining cell-based assays with liquid chromatography-tandem mass spectrometric (LC-MS/MS) analysis. These investigations revealed that YdgR from E. coli is able to transport five (sulpiride, bestatin, valacyclovir, ampicillin and oseltamivir) drugs. Furthermore, cells not overexpressing YdgR were also able to transport these drugs in a POT-like manner. Orthologues of YdgR are found in several species in the gut microbiome; hence, our findings could have implications for further understanding about the interaction between gut microbes and orally administered drugs. Copyright © 2017 Institut Pasteur. Published by Elsevier Masson SAS. All rights reserved.
Classical behaviour of macroscopic bodies and quantum measurements
International Nuclear Information System (INIS)
Ghirardi, G.; Rimini, A.; Weber, T.
1986-01-01
This report describes a recent attempt of giving a consistent and unified description of microscopic and macroscopic phenomena. The model presented in this paper exhibits the nice features of leaving unaltered the quantum description of microsystems and of accounting for the classical behaviour of the macroscopic objects when their dynamical evolution is consistently deduced from the dynamics of their elementary constituents
Macroscopic quantum tunnelling in a current biased Josephson junction
International Nuclear Information System (INIS)
Martinis, J.M.; Devoret, M.H.; Clarke, J.; Urbina, C.
1984-11-01
We discuss in this work an attempt to answer experimentally the question: do macroscopic variables obey quantum mechanics. More precisely, this experiment deals with the question of quantum-mechanical tunnelling of a macroscopic variable, a subject related to the famous Schrodinger's cat problem in the theory of measurement
Directory of Open Access Journals (Sweden)
Carmine Antonio Perroni
2014-03-01
Full Text Available Spectral and transport properties of small molecule single-crystal organic semiconductors have been theoretically analyzed focusing on oligoacenes, in particular on the series from naphthalene to rubrene and pentacene, aiming to show that the inclusion of different electron-phonon couplings is of paramount importance to interpret accurately the properties of prototype organic semiconductors. While in the case of rubrene, the coupling between charge carriers and low frequency inter-molecular modes is sufficient for a satisfactory description of spectral and transport properties, the inclusion of electron coupling to both low-frequency inter-molecular and high-frequency intra-molecular vibrational modes is needed to account for the temperature dependence of transport properties in smaller oligoacenes. For rubrene, a very accurate analysis in the relevant experimental configuration has allowed for the clarification of the origin of the temperature-dependent mobility observed in these organic semiconductors. With increasing temperature, the chemical potential moves into the tail of the density of states corresponding to localized states, but this is not enough to drive the system into an insulating state. The mobility along different crystallographic directions has been calculated, including vertex corrections that give rise to a transport lifetime one order of magnitude smaller than the spectral lifetime of the states involved in the transport mechanism. The mobility always exhibits a power-law behavior as a function of temperature, in agreement with experiments in rubrene. In systems gated with polarizable dielectrics, the electron coupling to interface vibrational modes of the gate has to be included in addition to the intrinsic electron-phonon interaction. While the intrinsic bulk electron-phonon interaction affects the behavior of mobility in the coherent regime below room temperature, the coupling with interface modes is dominant for the
Quantum fluctuations in mesoscopic and macroscopic systems
International Nuclear Information System (INIS)
Cerdeira, H.A.; Guinea Lopez, F.; Weiss, U.
1991-01-01
The conference presentations have been grouped in three chapters; Quantum Transport (4 papers), Dissipation in Discrete Systems (7 papers) and Mesoscopic Junction, Rings and Arrays (6 papers). A separate abstract was prepared for each paper. Refs and figs
Simulation of Coupled Processes of Flow, Transport, and Storage of CO_{2} in Saline Aquifers
Energy Technology Data Exchange (ETDEWEB)
Wu, Yu-Shu [Colorado School of Mines, Golden, CO (United States); Chen, Zizhong [Univ. of California, Riverside, CA (United States); Kazemi, Hossein [Colorado School of Mines, Golden, CO (United States); Yin, Xiaolong [Colorado School of Mines, Golden, CO (United States); Pruess, Karsten [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Oldenburg, Curt [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Winterfeld, Philip [Colorado School of Mines, Golden, CO (United States); Zhang, Ronglei [Colorado School of Mines, Golden, CO (United States)
2014-09-30
This report is the final scientific one for the award DE- FE0000988 entitled “Simulation of Coupled Processes of Flow, Transport, and Storage of CO_{2} in Saline Aquifers.” The work has been divided into six tasks. In task, “Development of a Three-Phase Non-Isothermal CO_{2} Flow Module,” we developed a fluid property module for brine-CO_{2} mixtures designed to handle all possible phase combinations of aqueous phase, sub-critical liquid and gaseous CO_{2}, supercritical CO_{2}, and solid salt. The thermodynamic and thermophysical properties of brine-CO_{2} mixtures (density, viscosity, and specific enthalpy of fluid phases; partitioning of mass components among the different phases) use the same correlations as an earlier fluid property module that does not distinguish between gaseous and liquid CO_{2}-rich phases. We verified the fluid property module using two leakage scenarios, one that involves CO_{2} migration up a blind fault and subsequent accumulation in a secondary “parasitic” reservoir at shallower depth, and another investigating leakage of CO_{2} from a deep storage reservoir along a vertical fault zone. In task, “Development of a Rock Mechanical Module,” we developed a massively parallel reservoir simulator for modeling THM processes in porous media brine aquifers. We derived, from the fundamental equations describing deformation of porous elastic media, a momentum conservation equation relating mean stress, pressure, and temperature, and incorporated it alongside the mass and energy conservation equations from the TOUGH2 formulation, the starting point for the simulator. In addition, rock properties, namely permeability and porosity, are functions of effective stress and other variables that are obtained from the literature. We verified the simulator formulation and numerical implementation using analytical solutions and example problems from the literature. For
Validity of macroscopic concepts for fluids on a microscopic scale
International Nuclear Information System (INIS)
Alder, B.J.; Alley, W.E.; Pollock, E.L.
1981-01-01
By Fourier decomposition of the appropriate fluctuation it is possible within the regime of linear response to extend the concept of both thermodynamic quantities and transport coefficients to their dependence on both wavelength and frequency. Experimentally these generalized macroscopic properties are accessible through neutron diffraction and, as examples, the dependence of the sound speed on wavelength and the diffusion coefficient on time are discussed. Through the molecular dynamics computer method the dependence of the viscosity on wavelength is calculated and applied with spectacular success to predict the dependence of the friction coefficient on the size of a Brownian particle all the way to atomic dimensions. On the other hand, the dielectric constant continuum concept, as applied to a charge or dipole in a cavity, generally fails to predict even the correct field at large distance from the charge. Avoiding the introduction of a cavity cures that problem, but the generalized dielectric constant fails badly in predicting the field at shorter distances from the charge. (orig.)
Anderson, Catriona M H; Jevons, Mark; Thangaraju, Muthusamy; Edwards, Noel; Conlon, Nichola J; Woods, Steven; Ganapathy, Vadivel; Thwaites, David T
2010-01-01
5-Aminolevulinic acid (ALA) is a prodrug used in photodynamic therapy, fluorescent diagnosis, and fluorescent-guided resection because it leads to accumulation of the photosensitizer protoporphyrin IX (PpIX) in tumor tissues. ALA has good oral bioavailability, but high oral doses are required to obtain selective PpIX accumulation in colonic tumors because accumulation is also observed in normal gut mucosa. Structural similarities between ALA and GABA led us to test the hypothesis that the H(+)-coupled amino acid transporter PAT1 (SLC36A1) will contribute to luminal ALA uptake. Radiolabel uptake and electrophysiological measurements identified PAT1-mediated H(+)-coupled ALA symport after heterologous expression in Xenopus oocytes. The selectivity of the nontransported inhibitors 5-hydroxytryptophan and 4-aminomethylbenzoic acid for, respectively, PAT1 and the H(+)-coupled di/tripeptide transporter PepT1 (SLC15A1) were examined. 5-Hydroxytryptophan selectively inhibited PAT1-mediated amino acid uptake across the brush-border membrane of the human intestinal (Caco-2) epithelium whereas 4-aminomethylbenzoic acid selectively inhibited PepT1-mediated dipeptide uptake. The inhibitory effects of 5-hydroxytryptophan and 4-aminomethylbenzoic acid were additive, demonstrating that both PAT1 and PepT1 contribute to intestinal transport of ALA. This is the first demonstration of overlap in substrate specificity between these distinct transporters for amino acids and dipeptides. PAT1 and PepT1 expression was monitored by reverse transcriptase-polymerase chain reaction using paired samples of normal and cancer tissue from human colon. mRNA for both transporters was detected. PepT1 mRNA was increased 2.3-fold in cancer tissues. Thus, increased PepT1 expression in colonic cancer could contribute to the increased PpIX accumulation observed. Selective inhibition of PAT1 could enhance PpIX loading in tumor tissue relative to that in normal tissue.
General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures
Energy Technology Data Exchange (ETDEWEB)
Liu, Yen, E-mail: yen.liu@nasa.gov; Vinokur, Marcel [NASA Ames Research Center, Moffett Field, California 94035 (United States); Panesi, Marco; Sahai, Amal [University of Illinois, Urbana-Champaign, Illinois 61801 (United States)
2015-04-07
This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy
General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures
Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel
2015-04-01
This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy
General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.
Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel
2015-04-07
This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy
General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures
International Nuclear Information System (INIS)
Liu, Yen; Vinokur, Marcel; Panesi, Marco; Sahai, Amal
2015-01-01
This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy
Towards a theory of macroscopic gravity
International Nuclear Information System (INIS)
Zalaletdinov, R.M.
1993-01-01
By averaging out Cartan's structure equations for a four-dimensional Riemannian space over space regions, the structure equations for the averaged space have been derived with the procedure being valid on an arbitrary Riemannian space. The averaged space is characterized by a metric, Riemannian and non-Riemannian curvature 2-forms, and correlation 2-, 3- and 4-forms, an affine deformation 1-form being due to the non-metricity of one of two connection 1-forms. Using the procedure for the space-time averaging of the Einstein equations produces the averaged ones with the terms of geometric correction by the correlation tensors. The equations of motion for averaged energy momentum, obtained by averaging out the coritracted Bianchi identifies, also include such terms. Considering the gravitational induction tensor to be the Riemannian curvature tensor (the non-Riemannian one is then the field tensor), a theorem is proved which relates the algebraic structure of the averaged microscopic metric to that of the induction tensor. It is shown that the averaged Einstein equations can be put in the form of the Einstein equations with the conserved macroscopic energy-momentum tensor of a definite structure including the correlation functions. By using the high-frequency approximation of Isaacson with second-order correction to the microscopic metric, the self-consistency and compatibility of the equations and relations obtained are shown. Macrovacuum turns out to be Ricci non-flat, the macrovacuum source being defined in terms of the correlation functions. In the high-frequency limit the equations are shown to become Isaacson's ones with the macrovacuum source becoming Isaacson's stress tensor for gravitational waves. 17 refs
MCNP4C2, Coupled Neutron, Electron Gamma 3-D Time-Dependent Monte Carlo Transport Calculations
International Nuclear Information System (INIS)
2002-01-01
1 - Description of program or function: MCNP is a general-purpose, continuous-energy, generalized geometry, time-dependent, coupled neutron-photon-electron Monte Carlo transport code system. MCNP4C2 is an interim release of MCNP4C with distribution restricted to the Criticality Safety community and attendees of the LANL MCNP workshops. The major new features of MCNP4C2 include: - Photonuclear physics; - Interactive plotting; - Plot superimposed weight window mesh; - Implement remaining macro-body surfaces; - Upgrade macro-bodies to surface sources and other capabilities; - Revised summary tables; - Weight window improvements. See the MCNP home page more information http://www-xdiv.lanl.gov/XCI/PROJECTS/MCNP with a link to the MCNP Forum. See the Electronic Notebook at http://www-rsicc.ornl.gov/rsic.html for information on user experiences with MCNP. 2 - Methods:MCNP treats an arbitrary three-dimensional configuration of materials in geometric cells bounded by first- and second-degree surfaces and some special fourth-degree surfaces. Pointwise continuous-energy cross section data are used, although multigroup data may also be used. Fixed-source adjoint calculations may be made with the multigroup data option. For neutrons, all reactions in a particular cross-section evaluation are accounted for. Both free gas and S(alpha, beta) thermal treatments are used. Criticality sources as well as fixed and surface sources are available. For photons, the code takes account of incoherent and coherent scattering with and without electron binding effects, the possibility of fluorescent emission following photoelectric absorption, and absorption in pair production with local emission of annihilation radiation. A very general source and tally structure is available. The tallies have extensive statistical analysis of convergence. Rapid convergence is enabled by a wide variety of variance reduction methods. Energy ranges are 0-60 MeV for neutrons (data generally only available up to
International Nuclear Information System (INIS)
Koyama, Kinji; Taji, Yukichi; Miyasaka, Shun-ichi; Minami, Kazuyoshi.
1977-07-01
The modular code system RADHEAT is for producing coupled multigroup neutron and gamma-ray cross section sets, analyzing the neutron and gamma-ray transport, and calculating the energy deposition and atomic displacements due to these radiations in a nuclear reactor or shield. The basic neutron cross sections and secondary gamma-ray production data are taken from ENDF/B and POPOP4 libraries respectively. The system (1) generates multigroup neutron cross sections, energy deposition coefficients and atomic displacement factors due to neutron reactions, (2) generates multigroup gamma-ray cross sections and energy transfer coefficients, (3) generates secondary gamma-ray production cross sections, (4) combines these cross sections into the coupled set, (5) outputs and updates the multigroup cross section libraries in convenient formats for other transport codes, (6) analyzes the neutron and gamma-ray transport and calculates the energy deposition and the number density of atomic displacements in a medium, (7) collapses the cross sections to a broad-group structure, by option, using the weighting functions obtained by one-dimensional transport calculation, and (8) plots, by option, multigroup cross sections, and neutron and gamma-ray distributions. Definitions of the input data required in various options of the code system are also given. (auth.)
International Nuclear Information System (INIS)
Baechler, S.; Croise, J.; Altmann, S.
2010-01-01
Document available in extended abstract form only. Fine-grained saturated porous materials can act as a semi-permeable osmotic membrane when exposed to a solute concentration gradient. The ions diffusion is hindered while water movement towards higher concentrations takes place in the semi-permeable membrane. The capacity of the fine-grained porous material to act as a semi permeable osmotic membrane is referred to as the osmotic efficiency (its value is 1 when the membranes is ideal, less than 1 when the membrane is leaky, allowing diffusion). The efficiency to retain ions in solution is dependent on the thickness of the diffuse double layer which itself depends on the solution concentration in the membrane. Clay rich formations have been shown to act as non-ideal semi-permeable membrane. Andra is investigating the Callovo-Oxfordian clay as a host rock for intermediate-level to high-level radioactive waste. In this context, it has been feared that osmotic water flows generated by the release of sodium nitrate salt in high concentrations, out of intermediate radioactive bituminous waste, could induce important over-pressures. The latest would eventually lead to fracturing of the host rock around the waste disposal drifts. The purpose of the present study was to develop a simulation code with the capacity to assess the potential impact of osmosis on: the re-saturation of the waste disposal drifts, the pressure evolution and the solute transport in and around a waste disposal drift. A chemo-osmotic coupled flow and transport model was implemented using the FlexPDE-finite element library. Our model is based on the chemo-osmotic formulation developed by Bader and Kooi, 2005. The model has been extended to highly concentrated solutions based on Pitzer's equation. In order to assess the impact of osmotic flow on the re-saturation time, the model was also designed to allow unsaturated flow modelling. The model configuration consists of an initially unsaturated 2D
Klammler, G.; Rock, G.; Kupfersberger, H.; Fank, J.
2012-04-01
interval of every hydrotope vertical profile until the lowest observed groundwater table is reached. The fluctuation range of the phreatic surface is also discretized in 10 cm intervals and used as outflow boundary condition. By this procedure, the influence of the groundwater table on the water and nitrate mass leaving the unsaturated can be considered taken into account varying soil horizons. To cover saturated flow in the WLF aquifer a 2-dimensional transient horizontal flow and solute transport model is set up. A sequential coupling between the two models is implemented, i.e. a unidirectional transfer of recharge and nitrate mass outflow from the hydrotopes to the saturated compartment. For this purpose, a one-time assignment between the spatial discretization of the hydrotopes and the finite element mesh has to be set up. The resulting groundwater table computed for a given time step with the input from SIMWASER/STOTRASIM is then used to extract the corresponding water and nitrate mass values from the look-up table to be used for the consecutive time step. This process is being repeated until the end of the simulation period. Within this approach there is no direct feedback between the unsaturated and the saturated aquifer compartment, i.e. there is no simultaneous (within the same time step) update of the pressure head - unsaturated head relationship at the soil and the phreatic surface (like is shown e.g. in Walsum and Groedendijk, 2008). For the dominating coarse sand conditions of the WLF aquifer we believe that this simplification is not of further relevance. For higher soil moisture contents (i.e. almost full saturation near the groundwater table) the curve returns to specific retention within a short vertical distance. Thus, there might only be mutual impact between soil and phreatic surface conditions for shallow groundwater tables. However, it should be mentioned here that all other processes in the two compartments (including capillary rise due to clay rich
Energy Technology Data Exchange (ETDEWEB)
Bal, G. [Departement MMN, Service IMA, Direction des Etudes et Recherches, Electricite de France (EDF), 92 - Clamart (France)
1995-10-01
Neutron transport in nuclear reactors is quite well modelled by the linear Boltzmann transport equation. Its solution is relatively easy, but unfortunately too expensive to achieve whole core computations. Thus, we have to simplify it, for example by homogenizing some physical characteristics. However, the solution may then be inaccurate. Moreover, in strongly homogeneous areas, the error may be too big. Then we would like to deal with such an inconvenient by solving the equation accurately on this area, but more coarsely away from it, so that the computation is not too expensive. This problem is the subject of a thesis. We present here some results obtained for slab geometry. The couplings between the fine and coarse discretization regions could be conceived in a number of approaches. Here, we only deal with the coupling at crossing the interface between two sub-domains. In the first section, we present the coupling of discrete ordinate methods for solving the homogeneous, isotropic and mono-kinetic equation. Coupling operators are defined and shown to be optimal. The second and the third sections are devoted to an extension of the previous results when the equation is non-homogeneous, anisotropic and multigroup (under some restrictive assumptions). Some numerical results are given in the case of isotropic and mono-kinetic equations. (author) 15 refs.
Zhang, Chuang; Guo, Zhaoli; Chen, Songze
2017-12-01
An implicit kinetic scheme is proposed to solve the stationary phonon Boltzmann transport equation (BTE) for multiscale heat transfer problem. Compared to the conventional discrete ordinate method, the present method employs a macroscopic equation to accelerate the convergence in the diffusive regime. The macroscopic equation can be taken as a moment equation for phonon BTE. The heat flu