49 CFR 37.43 - Alteration of transportation facilities by public entities.

Science.gov (United States)

2010-10-01

... 49 Transportation 1 2010-10-01 2010-10-01 false Alteration of transportation facilities by public... transportation facilities by public entities. (a)(1) When a public entity alters an existing facility or a part of an existing facility used in providing designated public transportation services in a way that...

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

Transport spectroscopy of coupled donors in silicon nano-transistors

Science.gov (United States)

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

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

Coupling of neutron transport equations. First results; Couplage d`equations en transport neutronique. premiere approche 1D monocinetique

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.

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

Some results on the neutron transport and the coupling of equations; Quelques resultats sur le transport neutronique et le couplage d`equations

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.

The understanding of the R7T7 glass blocks long term behavior: chemical and transport coupling in fractured media; Comprehension de l'alteration a long terme des colis de verre R7T7: etude du couplage chimie transport dans un milieu fissure

Energy Technology Data Exchange (ETDEWEB)

Chomat, L

2008-04-15

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)

The understanding of the R7T7 glass blocks long term behavior: chemical and transport coupling in fractured media; Comprehension de l'alteration a long terme des colis de verre R7T7: etude du couplage chimie transport dans un milieu fissure

Energy Technology Data Exchange (ETDEWEB)

Chomat, L

2008-04-15

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)

Coupled transport in field-reversed configurations

Science.gov (United States)

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.

Proton movement and coupling in the POT family of peptide transporters.

Science.gov (United States)

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.

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)

Modeling coupled nanoparticle aggregation and transport in porous media: a Lagrangian approach.

Science.gov (United States)

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.

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)

Altered blood-brain barrier transport in neuro-inflammatory disorders.

Science.gov (United States)

Schenk, Geert J; de Vries, Helga E

2016-06-01

During neurodegenerative and neuroinflammatory disorders of the central nervous system (CNS), such as Alzheimer's disease (AD) and multiple sclerosis (MS), the protective function of the blood-brain barrier (BBB) may be severely impaired. The general neuro-inflammatory response, ranging from activation of glial cells to immune cell infiltration that is frequently associated with such brain diseases may underlie the loss of the integrity and function of the BBB. Consequentially, the delivery and disposition of drugs to the brain will be altered and may influence the treatment efficiency of such diseases. Altered BBB transport of drugs into the CNS during diseases may be the result of changes in both specific transport and non-specific transport pathways. Potential alterations in transport routes like adsorptive mediated endocytosis and receptor-mediated endocytosis may affect drug delivery to the brain. As such, drugs that normally are unable to traverse the BBB may reach their target in the diseased brain due to increased permeability. In contrast, the delivery of (targeted) drugs could be hampered during inflammatory conditions due to disturbed transport mechanisms. Therefore, the inventory of the neuro-inflammatory status of the neurovasculature (or recovery thereof) is of utmost importance in choosing and designing an adequate drug targeting strategy under disease conditions. Within this review we will briefly discuss how the function of the BBB can be affected during disease and how this may influence the delivery of drugs into the diseased CNS. Copyright © 2016 Elsevier Ltd. All rights reserved.

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.

Coupled electric and transport phenomena in porous media

NARCIS (Netherlands)

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

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.

Subsurface Transport Over Reactive Multiphases (STORM): A Parallel, Coupled, Nonisothermal Multiphase Flow, Reactive Transport, and Porous Medium Alteration Simulator, Version 3.0

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

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.

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)

A coupled hydrodynamic-hydrochemical modeling for predicting mineral transport in a natural acid drainage system.

Science.gov (United States)

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

Heterogeneous redox reactions in groundwater flow systems - Investigation and application of two different coupled codes

Energy Technology Data Exchange (ETDEWEB)

Pfingsten, W.; Carnahan, C.L. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1995-05-01

Two simulators of reactive chemical transport are applied to a set of problems involving heterogeneous reactions of uranium species. The simulators use similar algorithms to compute the heterogeneous chemical equilibria, but they use different approaches to the computation of solute transport and to the coupling of transport with chemical reactions. One simulator (MCOTAC) sequentially couples calculations of static chemical equilibria to a random-walk simulation of solute advection and dispersion. The other simulator (THCC) directly couples mass action relations for chemical equilibria to finite-difference representations of the solute transport equations. The aim of the comparison was to demonstrate the applicability of the newly developed code MCOTAC to redox problems, and to identify and investigate general differences between the two types of codes within these applications. The chosen heterogeneous redox systems are hypothetically generate systems which provide numerical difficulties within the coupled code calculation. Uranium, an important component of heterogeneous redox systems consisting of uraniferous solids and natural groundwaters, was chosen as a main component in the example redox systems because of practical interest for performance assessment of geological repositories for nuclear wastes. The calculations show reasonable agreement, in general, between the two computational approaches. Specific areas of disagreement arise from numerical difficulties to each approach. Such `benchmarking` can enhance confidence in the overall performance of individual simulators while identifying aspects that may require further investigations and possible modifications. (author) figs., tabs., 7 refs.

Fluid transport with time on peritoneal dialysis: the contribution of free water transport and solute coupled water transport

NARCIS (Netherlands)

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

Framework Application for Core Edge Transport Simulation (FACETS)

Energy Technology Data Exchange (ETDEWEB)

Krasheninnikov, Sergei; Pigarov, Alexander

2011-10-15

The FACETS (Framework Application for Core-Edge Transport Simulations) project of Scientific Discovery through Advanced Computing (SciDAC) Program was aimed at providing a high-fidelity whole-tokamak modeling for the U.S. magnetic fusion energy program and ITER through coupling separate components for each of the core region, edge region, and wall, with realistic plasma particles and power sources and turbulent transport simulation. The project also aimed at developing advanced numerical algorithms, efficient implicit coupling methods, and software tools utilizing the leadership class computing facilities under Advanced Scientific Computing Research (ASCR). The FACETS project was conducted by a multi-discipline, multi-institutional teams, the Lead PI was J.R. Cary (Tech-X Corp.). In the FACETS project, the Applied Plasma Theory Group at the MAE Department of UCSD developed the Wall and Plasma-Surface Interaction (WALLPSI) module, performed its validation against experimental data, and integrated it into the developed framework. WALLPSI is a one-dimensional, coarse grained, reaction/advection/diffusion code applied to each material boundary cell in the common modeling domain for a tokamak. It incorporates an advanced model for plasma particle transport and retention in the solid matter of plasma facing components, simulation of plasma heat power load handling, calculation of erosion/deposition, and simulation of synergistic effects in strong plasma-wall coupling.

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)

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

Coupled particle–fluid transport and magnetic separation in microfluidic systems with passive magnetic functionality

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

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

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

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

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...

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

Energy Coupling Factor-Type ABC Transporters for Vitamin Uptake in Prokaryotes

NARCIS (Netherlands)

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

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.

Simulation of coupled geochemical reactions and hydrodynamical processes in porous media - application to CO2 storage and uranium exploitation

International Nuclear Information System (INIS)

Lagneau, Vincent

2013-01-01

This report is a snapshot after sixteen years of research in the field of reactive transport, since the beginning of my Ph.D. in 1997. The research revolves around two poles: on the one hand the development of the reactive transport code Hytec, on the other hand application of the code in different fields of the Earth Sciences. The first two parts of the report detail several key points from this research work, most of them published or being published, following the dual development/application logic. The last part opens towards interesting future work. Development of a reactive transport code: The first part, mostly numeric analysis, details the main features of the code Hytec, in which I have been heavily involved since I joined the laboratory. The underlying equations of the model are given. The resolution methods rely on a finite volume discretization over a Voronoi mesh for the whole hydrodynamic part (flow, transport, heat). Coupling between chemistry and transport is performed through a sequential iterative scheme. Specific developments are then presented. The feedback of chemistry on transport requires specific coupling treatment to ensure convergence to the correct solution: the effects need to be taken care of within the coupling iterations. Dual porosity simulation can be elegantly simulated by duplicating the chemical nodes. Integrating the simulation of gases have implications on the flow (simultaneous resolution of the pressure and saturation equations), and transport-solver (species in the gas phase independently of the water phase), and finally coupling with chemistry and gas-water equilibrium. Applications The Hytec code is used in various domains of the Earth Sciences, in and out our laboratory notably by the members of the consortium Pole Geochimie Transport (Reactive transport group). The document details two families of applications I have been particularly interested in over these years. The geologic storage of CO 2 is a potential technology

The understanding of the R7T7 glass blocks long term behavior: chemical and transport coupling in fractured media

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)

Analysis of the coupling coordination between transportation infrastructure investment and economic development in Hubei province

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 coupled diffusion-transport computational method and its application for the determination of space dependent angular flux distributions at a cold neutron source

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

A Loose Relationship: Incomplete H+/Sugar Coupling in the MFS Sugar Transporter GlcP.

Science.gov (United States)

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.

Formulation, stability and application of a semi-coupled 3-D four-field algorithm

International Nuclear Information System (INIS)

Kunz, R.F.; Siebert, B.W.; Cope, W.K.; Foster, N.F.; Antal, S.P.; Ettorre, S.M.

1996-06-01

A new 3-D four-field algorithm has been developed to predict general two-phase flows. Ensemble averaged transport equations of mass, momentum, energy and turbulence transport are solved for each field (continuous liquid, continuous vapor, disperse liquid, disperse vapor). This four-field structure allows for analysis of adiabatic and boiling systems which contain flow regimes from bubbly through annular. Interfacial mass, momentum, turbulence and heat transfer models provide coupling between phases. A new semi-coupled implicit method is utilized to solve the set of 25 equations which arise in the formulation. In this paper, three important component numerical strategies employed in the method are summarized. These include: (1) incorporation of interfacial momentum force terms in the control volume face flux reconstruction, (2) phase coupling at the linear solver level, and in the pressure-velocity coupling itself and (3) a multi-step Jacobi block correction scheme for efficient solution of the pressure-Poisson equation. The necessity/effectiveness of these strategies is demonstrated in applications to realistic engineering flows. Though some heated flow test cases are considered, the particular numerics discussed here are germane to adiabatic flows with and without mass transfer

Indirect Inverse Substructuring Method for Multibody Product Transport System with Rigid and Flexible Coupling

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.

Methodology of Continuous-Energy Adjoint Monte Carlo for Neutron, Photon, and Coupled Neutron-Photon Transport

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

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

Numerical analysis of coupled water transport in wood with a focus on the coupling parameter sorption

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....

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

Modeling Coupled Water and Heat Transport in the Root Zone of Winter Wheat under Non-Isothermal Conditions

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.

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

A Model to Couple Flow, Thermal and Reactive Chemical Transport, and Geo-mechanics in Variably Saturated Media

Science.gov (United States)

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.

Altered interregional molecular associations of the serotonin transporter in attention deficit/hyperactivity disorder assessed with PET.

Science.gov (United States)

Vanicek, Thomas; Kutzelnigg, Alexandra; Philippe, Cecile; Sigurdardottir, Helen L; James, Gregory M; Hahn, Andreas; Kranz, Georg S; Höflich, Anna; Kautzky, Alexander; Traub-Weidinger, Tatjana; Hacker, Marcus; Wadsak, Wolfgang; Mitterhauser, Markus; Kasper, Siegfried; Lanzenberger, Rupert

2017-02-01

Altered serotonergic neurotransmission has been found to cause impulsive and aggressive behavior, as well as increased motor activity, all exemplifying key symptoms of ADHD. The main objectives of this positron emission tomography (PET) study were to investigate the serotonin transporter binding potential (SERT BP ND ) in patients with ADHD and to assess associations of SERT BP ND between the brain regions. 25 medication-free patients with ADHD (age ± SD; 32.39 ± 10.15; 10 females) without any psychiatric comorbidity and 25 age and sex matched healthy control subjects (33.74 ± 10.20) were measured once with PET and the highly selective and specific radioligand [ 11 C]DASB. SERT BP ND maps in nine a priori defined ROIs exhibiting high SERT binding were compared between groups by means of a linear mixed model. Finally, adopted from structural and functional connectivity analyses, we performed correlational analyses using regional SERT binding potentials to examine molecular interregional associations between all selected ROIs. We observed significant differences in the interregional correlations between the precuneus and the hippocampus in patients with ADHD compared to healthy controls, using SERT BP ND of the investigated ROIs (P < 0.05; Bonferroni corrected). When correlating SERT BP ND and age in the ADHD and the healthy control group, we confirmed an age-related decline in brain SERT binding in the thalamus and insula (R 2  = 0.284, R 2  = 0.167, Ps < 0.05; Bonferroni corrected). The results show significantly different interregional molecular associations of the SERT expression for the precuneus with hippocampus in patients with ADHD, indicating presumably altered functional coupling. Altered interregional coupling between brain regions might be a sensitive approach to demonstrate functional and molecular alterations in psychiatric conditions. Hum Brain Mapp 38:792-802, 2017. © 2016 Wiley Periodicals, Inc. © 2016 Wiley

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)

Reactive transport models and simulation with ALLIANCES

International Nuclear Information System (INIS)

Leterrier, N.; Deville, E.; Bary, B.; Trotignon, L.; Hedde, T.; Cochepin, B.; Stora, E.

2009-01-01

Many chemical processes influence the evolution of nuclear waste storage. As a result, simulations based only upon transport and hydraulic processes fail to describe adequately some industrial scenarios. We need to take into account complex chemical models (mass action laws, kinetics...) which are highly non-linear. In order to simulate the coupling of these chemical reactions with transport, we use a classical Sequential Iterative Approach (SIA), with a fixed point algorithm, within the mainframe of the ALLIANCES platform. This approach allows us to use the various transport and chemical modules available in ALLIANCES, via an operator-splitting method based upon the structure of the chemical system. We present five different applications of reactive transport simulations in the context of nuclear waste storage: 1. A 2D simulation of the lixiviation by rain water of an underground polluted zone high in uranium oxide; 2. The degradation of the steel envelope of a package in contact with clay. Corrosion of the steel creates corrosion products and the altered package becomes a porous medium. We follow the degradation front through kinetic reactions and the coupling with transport; 3. The degradation of a cement-based material by the injection of an aqueous solution of zinc and sulphate ions. In addition to the reactive transport coupling, we take into account in this case the hydraulic retroaction of the porosity variation on the Darcy velocity; 4. The decalcification of a concrete beam in an underground storage structure. In this case, in addition to the reactive transport simulation, we take into account the interaction between chemical degradation and the mechanical forces (cracks...), and the retroactive influence on the structure changes on transport; 5. The degradation of the steel envelope of a package in contact with a clay material under a temperature gradient. In this case the reactive transport simulation is entirely directed by the temperature changes and

Multiscale Simulations for Coupled Flow and Transport Using the Generalized Multiscale Finite Element Method

KAUST Repository

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.

Multiscale Simulations for Coupled Flow and Transport Using the Generalized Multiscale Finite Element Method

KAUST Repository

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.

Antiresonance and decoupling in electronic transport through parallel-coupled quantum-dot structures with laterally-coupled Majorana zero modes

Science.gov (United States)

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.

FIFRELIN - TRIPOLI-4® coupling for Monte Carlo simulations with a fission model. Application to shielding calculations

Science.gov (United States)

Petit, Odile; Jouanne, Cédric; Litaize, Olivier; Serot, Olivier; Chebboubi, Abdelhazize; Pénéliau, Yannick

2017-09-01

TRIPOLI-4® Monte Carlo transport code and FIFRELIN fission model have been coupled by means of external files so that neutron transport can take into account fission distributions (multiplicities and spectra) that are not averaged, as is the case when using evaluated nuclear data libraries. Spectral effects on responses in shielding configurations with fission sampling are then expected. In the present paper, the principle of this coupling is detailed and a comparison between TRIPOLI-4® fission distributions at the emission of fission neutrons is presented when using JEFF-3.1.1 evaluated data or FIFRELIN data generated either through a n/g-uncoupled mode or through a n/g-coupled mode. Finally, an application to a modified version of the ASPIS benchmark is performed and the impact of using FIFRELIN data on neutron transport is analyzed. Differences noticed on average reaction rates on the surfaces closest to the fission source are mainly due to the average prompt fission spectrum. Moreover, when working with the same average spectrum, a complementary analysis based on non-average reaction rates still shows significant differences that point out the real impact of using a fission model in neutron transport simulations.

Changes in foot and shank coupling due to alterations in foot strike pattern during running.

Science.gov (United States)

Pohl, Michael B; Buckley, John G

2008-03-01

Determining if and how the kinematic relationship between adjacent body segments changes when an individual's gait pattern is experimentally manipulated can yield insight into the robustness of the kinematic coupling across the associated joint(s). The aim of this study was to assess the effects on the kinematic coupling between the forefoot, rearfoot and shank during ground contact of running with alteration in foot strike pattern. Twelve subjects ran over-ground using three different foot strike patterns (heel strike, forefoot strike, toe running). Kinematic data were collected of the forefoot, rearfoot and shank, which were modelled as rigid segments. Coupling at the ankle-complex and midfoot joints was assessed using cross-correlation and vector coding techniques. In general good coupling was found between rearfoot frontal plane motion and transverse plane shank rotation regardless of foot strike pattern. Forefoot motion was also strongly coupled with rearfoot frontal plane motion. Subtle differences were noted in the amount of rearfoot eversion transferred into shank internal rotation in the first 10-15% of stance during heel strike running compared to forefoot and toe running, and this was accompanied by small alterations in forefoot kinematics. These findings indicate that during ground contact in running there is strong coupling between the rearfoot and shank via the action of the joints in the ankle-complex. In addition, there was good coupling of both sagittal and transverse plane forefoot with rearfoot frontal plane motion via the action of the midfoot joints.

Geometry-coupled reactive fluid transport at the fracture scale -Application to CO 2 geologic storage

KAUST Repository

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.

Geometry-coupled reactive fluid transport at the fracture scale -Application to CO 2 geologic storage

KAUST Repository

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.

Coupled multi-group neutron photon transport for the simulation of high-resolution gamma-ray spectroscopy applications

Energy Technology Data Exchange (ETDEWEB)

Burns, Kimberly A. [Georgia Inst. of Technology, Atlanta, GA (United States)

2009-08-01

The accurate and efficient simulation of coupled neutron-photon problems is necessary for several important radiation detection applications. Examples include the detection of nuclear threats concealed in cargo containers and prompt gamma neutron activation analysis for nondestructive determination of elemental composition of unknown samples.

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

Time space domain decomposition methods for reactive transport - Application to CO2 geological storage

International Nuclear Information System (INIS)

Haeberlein, F.

2011-01-01

Reactive transport modelling is a basic tool to model chemical reactions and flow processes in porous media. A totally reduced multi-species reactive transport model including kinetic and equilibrium reactions is presented. A structured numerical formulation is developed and different numerical approaches are proposed. Domain decomposition methods offer the possibility to split large problems into smaller subproblems that can be treated in parallel. The class of Schwarz-type domain decomposition methods that have proved to be high-performing algorithms in many fields of applications is presented with a special emphasis on the geometrical viewpoint. Numerical issues for the realisation of geometrical domain decomposition methods and transmission conditions in the context of finite volumes are discussed. We propose and validate numerically a hybrid finite volume scheme for advection-diffusion processes that is particularly well-suited for the use in a domain decomposition context. Optimised Schwarz waveform relaxation methods are studied in detail on a theoretical and numerical level for a two species coupled reactive transport system with linear and nonlinear coupling terms. Well-posedness and convergence results are developed and the influence of the coupling term on the convergence behaviour of the Schwarz algorithm is studied. Finally, we apply a Schwarz waveform relaxation method on the presented multi-species reactive transport system. (author)

HYDROBIOGEOCHEM: A coupled model of HYDROlogic transport and mixed BIOGEOCHEMical kinetic/equilibrium reactions in saturated-unsaturated media

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.

Altered neurocircuitry in the dopamine transporter knockout mouse brain.

Directory of Open Access Journals (Sweden)

Xiaowei Zhang

2010-07-01

Full Text Available The plasma membrane transporters for the monoamine neurotransmitters dopamine, serotonin, and norepinephrine modulate the dynamics of these monoamine neurotransmitters. Thus, activity of these transporters has significant consequences for monoamine activity throughout the brain and for a number of neurological and psychiatric disorders. Gene knockout (KO mice that reduce or eliminate expression of each of these monoamine transporters have provided a wealth of new information about the function of these proteins at molecular, physiological and behavioral levels. In the present work we use the unique properties of magnetic resonance imaging (MRI to probe the effects of altered dopaminergic dynamics on meso-scale neuronal circuitry and overall brain morphology, since changes at these levels of organization might help to account for some of the extensive pharmacological and behavioral differences observed in dopamine transporter (DAT KO mice. Despite the smaller size of these animals, voxel-wise statistical comparison of high resolution structural MR images indicated little morphological change as a consequence of DAT KO. Likewise, proton magnetic resonance spectra recorded in the striatum indicated no significant changes in detectable metabolite concentrations between DAT KO and wild-type (WT mice. In contrast, alterations in the circuitry from the prefrontal cortex to the mesocortical limbic system, an important brain component intimately tied to function of mesolimbic/mesocortical dopamine reward pathways, were revealed by manganese-enhanced MRI (MEMRI. Analysis of co-registered MEMRI images taken over the 26 hours after introduction of Mn(2+ into the prefrontal cortex indicated that DAT KO mice have a truncated Mn(2+ distribution within this circuitry with little accumulation beyond the thalamus or contralateral to the injection site. By contrast, WT littermates exhibit Mn(2+ transport into more posterior midbrain nuclei and contralateral

Modeling of coupled heat transfer and reactive transport processes in porous media: Application to seepage studies at Yucca Mountain, Nevada

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

Modeling of coupled heat transfer and reactive transport processes in porous media: Application to seepage studies at Yucca Mountain, Nevada

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

Osmotic stress alters chromatin condensation and nucleocytoplasmic transport

Energy Technology Data Exchange (ETDEWEB)

Finan, John D.; Leddy, Holly A. [Department of Orthopaedic Surgery, Duke University Medical Center, Durham, NC (United States); Department of Biomedical Engineering, Duke University, Durham, NC (United States); Guilak, Farshid, E-mail: guilak@duke.edu [Department of Orthopaedic Surgery, Duke University Medical Center, Durham, NC (United States); Department of Biomedical Engineering, Duke University, Durham, NC (United States)

2011-05-06

Highlights: {yields} The rate of nucleocytoplasmic transport increases under hyper-osmotic stress. {yields} The mechanism is a change in nuclear geometry, not a change in permeability of the nuclear envelope. {yields} Intracytoplasmic but not intranuclear diffusion is sensitive to osmotic stress. {yields} Pores in the chromatin of the nucleus enlarge under hyper-osmotic stress. -- Abstract: Osmotic stress is a potent regulator of biological function in many cell types, but its mechanism of action is only partially understood. In this study, we examined whether changes in extracellular osmolality can alter chromatin condensation and the rate of nucleocytoplasmic transport, as potential mechanisms by which osmotic stress can act. Transport of 10 kDa dextran was measured both within and between the nucleus and the cytoplasm using two different photobleaching methods. A mathematical model was developed to describe fluorescence recovery via nucleocytoplasmic transport. As osmolality increased, the diffusion coefficient of dextran decreased in the cytoplasm, but not the nucleus. Hyper-osmotic stress decreased nuclear size and increased nuclear lacunarity, indicating that while the nucleus was getting smaller, the pores and channels interdigitating the chromatin had expanded. The rate of nucleocytoplasmic transport was increased under hyper-osmotic stress but was insensitive to hypo-osmotic stress, consistent with the nonlinear osmotic properties of the nucleus. The mechanism of this osmotic sensitivity appears to be a change in the size and geometry of the nucleus, resulting in a shorter effective diffusion distance for the nucleus. These results may explain physical mechanisms by which osmotic stress can influence intracellular signaling pathways that rely on nucleocytoplasmic transport.

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)

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 ...

Vibronic coupling effect on the electron transport through molecules

Science.gov (United States)

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.

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...

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

Development of a coupled dynamics code with transport theory capability and application to accelerator driven systems transients

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

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)

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.

Neutron transport

International Nuclear Information System (INIS)

Berthoud, Georges; Ducros, Gerard; Feron, Damien; Guerin, Yannick; Latge, Christian; Limoge, Yves; Santarini, Gerard; Seiler, Jean-Marie; Vernaz, Etienne; Coste-Delclaux, Mireille; M'Backe Diop, Cheikh; Nicolas, Anne; Andrieux, Catherine; Archier, Pascal; Baudron, Anne-Marie; Bernard, David; Biaise, Patrick; Blanc-Tranchant, Patrick; Bonin, Bernard; Bouland, Olivier; Bourganel, Stephane; Calvin, Christophe; Chiron, Maurice; Damian, Frederic; Dumonteil, Eric; Fausser, Clement; Fougeras, Philippe; Gabriel, Franck; Gagnier, Emmanuel; Gallo, Daniele; Hudelot, Jean-Pascal; Hugot, Francois-Xavier; Dat Huynh, Tan; Jouanne, Cedric; Lautard, Jean-Jacques; Laye, Frederic; Lee, Yi-Kang; Lenain, Richard; Leray, Sylvie; Litaize, Olivier; Magnaud, Christine; Malvagi, Fausto; Mijuin, Dominique; Mounier, Claude; Naury, Sylvie; Nicolas, Anne; Noguere, Gilles; Palau, Jean-Marc; Le Pallec, Jean-Charles; Peneliau, Yannick; Petit, Odile; Poinot-Salanon, Christine; Raepsaet, Xavier; Reuss, Paul; Richebois, Edwige; Roque, Benedicte; Royer, Eric; Saint-Jean, Cyrille de; Santamarina, Alain; Serot, Olivier; Soldevila, Michel; Tommasi, Jean; Trama, Jean-Christophe; Tsilanizara, Aime; Behar, Christophe; Provitina, Olivier; Lecomte, Michael; Forestier, Alain; Bender, Alexandra; Parisot, Jean-Francois; Finot, Pierre

2013-10-01

This bibliographical note presents a reference book which addresses the study of neutron transport in matter, the study of conditions for a chain reaction and the study of modifications of matter composition due to nuclear reactions. This book presents the main nuclear data, their measurement, assessment and processing, and the spallation. It proposes an overview of methods applied for the study of neutron transport: basic equations and their derived forms, deterministic methods and Monte Carlo method of resolution of the Boltzmann equation, methods of resolution of generalized Bateman equations, methods of time resolution of space kinetics coupled equations. It presents the main calculation codes, discusses the qualification and experimental aspects, and gives an overview of neutron transport applications: neutron transport calculation of reactors, neutron transport coupled with other disciplines, physics of fuel cycle, criticality

Electron-vibron coupling effects on electron transport via a single-molecule magnet

Science.gov (United States)

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.

Ion sampling and transport in Inductively Coupled Plasma Mass Spectrometry

Science.gov (United States)

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.

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.)

Lattice Boltzmann based multicomponent reactive transport model coupled with geochemical solver for scale simulations

NARCIS (Netherlands)

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

Dual states estimation of a subsurface flow-transport coupled model using ensemble Kalman filtering

KAUST Repository

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

Applications of superconductor technologies to transportation

Science.gov (United States)

Rote, D. M.; Herring, J. S.; Sheahen, T. P.

1989-06-01

This report assesses transportation applications of superconducting devices, such as rotary motors and generators, linear synchronous motors, energy storage devices, and magnets. Among conventional vehicles, ships appear to have the greatest potential for maximizing the technical benefits of superconductivity, such as smaller, lighter, and more-efficient motors and, possibly, more-efficient generators. Smaller-scale applications include motors for pipeline pumps, all-electric and diesel-electric locomotives, self-propelled rail cars, and electric highway vehicles. For diesel-electric locomotives, superconducting units would eliminate space limitations on tractive power. Superconducting magnetic energy storage devices appear most suitable for regenerative braking or power assistance in grade climbing, rather than for long-term energy storage. With toroidal devices (especially for onboard temporary energy storage), external fields would be eliminated. With regard to new vehicle technologies, the use of superconducting devices would only marginally enhance the benefits of inductive-power-coupled vehicles over conventional electric vehicles, but could enable magnetically levitated (maglev) vehicles to obtain speeds of 520 km/h or more. This feature, together with the quiet, smooth ride, might make maglev vehicles an attractive alternative to intercity highway-vehicle or airlane trips in the range of 100 to 600 miles. Electromagnetic airport applications are not yet feasible.

Chemistry-transport coupling and retroactive effects on material properties within the context of a deep geological repository

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

Transport regimes spanning magnetization-coupling phase space

Science.gov (United States)

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-resonator waveguide perfect transport single-photon by interatomic dipole-dipole interaction

Science.gov (United States)

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.

Organophosphate-Related Alterations in Myelin and Axonal Transport in the Living Mammalian Brain

Science.gov (United States)

2014-10-01

stress, impairments of mitochondrial function, neuroinflammation, altered neurotrophin responses, etc. (reviewed, Soltaninejad and Abdollahi, 2009...Exposure to Chlorpyrifos in Rats: Protracted Effects on Axonal Transport, Neurotrophin Receptors, Cholinergic Markers, and Information Processing

Non-canonical distribution and non-equilibrium transport beyond weak system-bath coupling regime: A polaron transformation approach

Science.gov (United States)

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.

Illustration of the Alliances platform chemistry/transport coupling capacities through the simulation of a cement/clay interaction

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

SIMULATE-3 K coupled code applications

Energy Technology Data Exchange (ETDEWEB)

Joensson, Christian [Studsvik Scandpower AB, Vaesteraas (Sweden); Grandi, Gerardo; Judd, Jerry [Studsvik Scandpower Inc., Idaho Falls, ID (United States)

2017-07-15

This paper describes the coupled code system TRACE/SIMULATE-3 K/VIPRE and the application of this code system to the OECD PWR Main Steam Line Break. A short description is given for the application of the coupled system to analyze DNBR and the flexibility the system creates for the user. This includes the possibility to compare and evaluate the result with the TRACE/SIMULATE-3K (S3K) coupled code, the S3K standalone code (core calculation) as well as performing single-channel calculations with S3K and VIPRE. This is the typical separate-effect-analyses required for advanced calculations in order to develop methodologies to be used for safety analyses in general. The models and methods of the code systems are presented. The outline represents the analysis approach starting with the coupled code system, reactor and core model calculation (TRACE/S3K). This is followed by a more detailed core evaluation (S3K standalone) and finally a very detailed thermal-hydraulic investigation of the hot pin condition (VIPRE).

Altered regulation of renal sodium transporters in salt-sensitive hypertensive rats induced by uninephrectomy.

Science.gov (United States)

Jung, Ji Yong; Lee, Jay Wook; Kim, Sejoong; Jung, Eun Sook; Jang, Hye Ryoun; Han, Jin Suk; Joo, Kwon Wook

2009-12-01

Uninephrectomy (uNx) in young rats causes salt-sensitive hypertension (SSH). Alterations of sodium handling in residual nephrons may play a role in the pathogenesis. Therefore, we evaluated the adaptive alterations of renal sodium transporters according to salt intake in uNx-SSH rats. uNx or sham operations were performed in male Sprague-Dawley rats, and normal-salt diet was fed for 4 weeks. Four experimental groups were used: sham-operated rats raised on a high-salt diet for 2 weeks (CHH) or on a low-salt diet for 1 week after 1 week's high-salt diet (CHL) and uNx rats fed on the same diet (NHH, NHL) as the sham-operated rats were fed. Expression of major renal sodium transporters were determined by semiquantitative immunoblotting. Systolic blood pressure was increased in NHH and NHL groups, compared with CHH and CHL, respectively. Protein abundances of Na(+)/K(+)/2Cl(-) cotransporter (NKCC2) and Na(+)/Cl(-) cotransporter (NCC) in the CHH group were lower than the CHL group. Expression of epithelial sodium channel (ENaC)-γ increased in the CHH group. In contrast, expressions of NKCC2 and NCC in the NHH group didn't show any significant alterations, compared to the NHL group. Expressions of ENaC-α and ENaC-β in the NHH group were higher than the CHH group. Adaptive alterations of NKCC2 and NCC to changes of salt intake were different in the uNx group, and changes in ENaC-α and ENaC-β were also different. These altered regulations of sodium transporters may be involved in the pathogenesis of SSH in the uNx rat model.

Coupled transport phenomena in a clay from a Callovo-Oxfordian formation; Phenomenes de transport couples dans les argiles du Callovo-Oxfordien

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)

Charge and Spin Transport in Spin-orbit Coupled and Topological Systems

KAUST Repository

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

Solute transport in coupled inland-coastal water systems. General conceptualisation and application to Forsmark

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

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

The prototypical proton-coupled oligopeptide transporter YdgR from Escherichia coli facilitates chloramphenicol uptake into bacterial cells

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...

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.

Development and application of soil coupled heat pump

Science.gov (United States)

Liu, Lu

2017-05-01

Soil coupled heat pump technology is a new clean heating mode, is the world's most energy efficient heating one of the ways. And because of the use of renewable geothermal resources with high heating performance so more and more people's attention. Although the use of soil-coupled heat pumps has been in use for more than 50 years (the first application in the United States), the market penetration of this technology is still in its infancy. This paper will focus on the development, characteristics and application of the coupled heat pump.

Solute transport in coupled inland-coastal water systems. General conceptualisation and application to Forsmark

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

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.)

Coupled porohyperelastic mass transport (PHEXPT) finite element models for soft tissues using ABAQUS.

Science.gov (United States)

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.

Altered cardiorespiratory coupling in young male adults with excessive online gaming.

Science.gov (United States)

Chang, Jae Seung; Kim, Eun Young; Jung, Dooyoung; Jeong, Seong Hoon; Kim, Yeni; Roh, Myoung-Sun; Ahn, Yong Min; Hahm, Bong-Jin

2015-09-01

This study aimed to investigate changes in heart rate variability and cardiorespiratory coupling in male college students with problematic Internet use (PIU) excessive gaming type during action video game play to assess the relationship between PIU tendency and central autonomic regulation. Electrocardiograms and respiration were simultaneously recorded from 22 male participants with excessive online gaming and 22 controls during action video game play. Sample entropy (SampEn) was computed to assess autonomic regularity, and cross-SampEn was calculated to quantify autonomic coordination. During video game play, reduced cardiorespiratory coupling (CRC) was observed in individuals with PIU excessive gaming type compared with controls, implicating central autonomic dysregulation. The PIU tendency was associated with the severity of autonomic dysregulation. These findings indicate impaired CRC in PIU excessive gaming type, which may reflect alterations of central inhibitory control over autonomic responses to pleasurable online stimuli. Copyright © 2015 Elsevier B.V. All rights reserved.

Renal sympathetic nerve, blood flow, and epithelial transport responses to thermal stress.

Science.gov (United States)

Wilson, Thad E

2017-05-01

Thermal stress is a profound sympathetic stress in humans; kidney responses involve altered renal sympathetic nerve activity (RSNA), renal blood flow, and renal epithelial transport. During mild cold stress, RSNA spectral power but not total activity is altered, renal blood flow is maintained or decreased, and epithelial transport is altered consistent with a sympathetic stress coupled with central volume loaded state. Hypothermia decreases RSNA, renal blood flow, and epithelial transport. During mild heat stress, RSNA is increased, renal blood flow is decreased, and epithelial transport is increased consistent with a sympathetic stress coupled with a central volume unloaded state. Hyperthermia extends these directional changes, until heat illness results. Because kidney responses are very difficult to study in humans in vivo, this review describes and qualitatively evaluates an in vivo human skin model of sympathetically regulated epithelial tissue compared to that of the nephron. This model utilizes skin responses to thermal stress, involving 1) increased skin sympathetic nerve activity (SSNA), decreased skin blood flow, and suppressed eccrine epithelial transport during cold stress; and 2) increased SSNA, skin blood flow, and eccrine epithelial transport during heat stress. This model appears to mimic aspects of the renal responses. Investigations of skin responses, which parallel certain renal responses, may aid understanding of epithelial-sympathetic nervous system interactions during cold and heat stress. Copyright © 2016 Elsevier B.V. All rights reserved.

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.

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

Coupled Particle Transport and Pattern Formation in a Nonlinear Leaky-Box Model

Science.gov (United States)

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.

How LeuT shapes our understanding of the mechanisms of sodium-coupled neurotransmitter transporters.

Science.gov (United States)

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.

Inverse engineering for fast transport and spin control of spin-orbit-coupled Bose-Einstein condensates in moving harmonic traps

Science.gov (United States)

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.

Beta-adrenergic activation of solute coupled water uptake by toad skin epithelium results in near-isosmotic transport

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...

Aging alters mRNA expression of amyloid transporter genes at the blood-brain barrier.

Science.gov (United States)

Osgood, Doreen; Miller, Miles C; Messier, Arthur A; Gonzalez, Liliana; Silverberg, Gerald D

2017-09-01

Decreased clearance of potentially toxic metabolites, due to aging changes, likely plays a significant role in the accumulation of amyloid-beta (Aβ) peptides and other macromolecules in the brain of the elderly and in the patients with Alzheimer's disease (AD). Aging is the single most important risk factor for AD development. Aβ transport receptor proteins expressed at the blood-brain barrier are significantly altered with age: the efflux transporters lipoprotein receptor-related protein 1 and P-glycoprotein are reduced, whereas the influx transporter receptor for advanced glycation end products is increased. These receptors play an important role in maintaining brain biochemical homeostasis. We now report that, in a rat model of aging, gene transcription is altered in aging, as measured by Aβ receptor gene messenger RNA (mRNA) at 3, 6, 9, 12, 15, 20, 30, and 36 months. Gene mRNA expression from isolated cerebral microvessels was measured by quantitative polymerase chain reaction. Lipoprotein receptor-related protein 1 and P-glycoprotein mRNA were significantly reduced in aging, and receptor for advanced glycation end products was increased, in parallel with the changes seen in receptor protein expression. Transcriptional changes appear to play a role in aging alterations in blood-brain barrier receptor expression and Aβ accumulation. Copyright © 2017 Elsevier Inc. All rights reserved.

Models of Coupled Settlement and Habitat Networks for Biodiversity Conservation: Conceptual Framework, Implementation and Potential Applications

Directory of Open Access Journals (Sweden)

Maarten J. van Strien

2018-04-01

on potential applications of models of coupled settlement and habitat networks in the development of complex network theory, in the assessment of system resilience and in conservation, transport and urban planning. The development of coupled settlement and habitat network models is important to gain a better system-level understanding of biodiversity conservation under a rapidly urbanizing and growing human population.

Altered expression of mitochondrial electron transport chain proteins and improved myocardial energetic state during late ischemic preconditioning

NARCIS (Netherlands)

J.A. Cabrera (Jesús); E.A. Ziemba (Elizabeth); L.H. Colbert (Lisa); L.B. Anderson (Lorraine); W.J. Sluiter (Wim); D.J.G.M. Duncker (Dirk); T.A. Butterick (Tammy); J. Sikora (Joseph); H.B. Ward (Herbert B.); R.F. Kelly (Rosemary); E.O. McFalls (Edward)

2012-01-01

textabstractAltered expression of mitochondrial electron transport proteins has been shown in early preconditioned myocardial tissue. We wished to determine whether these alterations persist in the Second Window of Protection (SWOP) and if so, whether a favorable energetic state is facilitated

Nonlinear electron transport in magnetized laser plasmas

International Nuclear Information System (INIS)

Kho, T.H.; Haines, M.G.

1986-01-01

Electron transport in a magnetized plasma heated by inverse bremsstrahlung is studied numerically using a nonlinear Fokker--Planck model with self-consistent E and B fields. The numerical scheme is described. Nonlocal transport is found to alter many of the transport coefficients derived from linear transport theory, in particular, the Nernst and Righi--Leduc effects, in addition to the perpendicular heat flux q/sub perpendicular/, are substantially reduced near critical surface. The magnetic field, however, remains strongly coupled to the nonlinear q/sub perpendicular/ and, as has been found in hydrosimulations, convective amplification of the magnetic field occurs in the overdense plasma

Alteration of the platelet serotonin transporter in romantic love.

Science.gov (United States)

Marazziti, D; Akiskal, H S; Rossi, A; Cassano, G B

1999-05-01

The evolutionary consequences of love are so important that there must be some long-established biological process regulating it. Recent findings suggest that the serotonin (5-HT) transporter might be linked to both neuroticism and sexual behaviour as well as to obsessive-compulsive disorder (OCD). The similarities between an overvalued idea, such as that typical of subjects in the early phase of a love relationship, and obsession, prompted us to explore the possibility that the two conditions might share alterations at the level of the 5-HT transporter. Twenty subjects who had recently (within the previous 6 months) fallen in love, 20 unmedicated OCD patients and 20 normal controls, were included in the study. The 5-HT transporter was evaluated with the specific binding of 3H-paroxetine (3H-Par) to platelet membranes. The results showed that the density of 3H-Par binding sites was significantly lower in subjects who had recently fallen in love and in OCD patients than in controls. The main finding of the present study is that subjects who were in the early romantic phase of a love relationship were not different from OCD patients in terms of the density of the platelet 5-HT transporter, which proved to be significantly lower than in the normal controls. This would suggest common neurochemical changes involving the 5-HT system, linked to psychological dimensions shared by the two conditions, perhaps at an ideational level.

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

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

Coupled nanopillar waveguides: optical properties and applications

DEFF Research Database (Denmark)

Chigrin, Dmitry N.; Zhukovsky, Sergei V.; Lavrinenko, Andrei

2007-01-01

, while guided modes dispersion is strongly affected by the waveguide structure. We present a systematic analysis of the optical properties of coupled nanopillar waveguides and discuss their possible applications for integrated optics. (C) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim......In this paper we review basic properties of coupled periodic and aperiodic nanopillar waveguides. A coupled nanopillar waveguide consists of several rows of periodically or aperiodically placed dielectric rods (pillars). In such a waveguide, light confinement is due to the total internal reflection...

Streptozotocin alters glucose transport, connexin expression and endoplasmic reticulum functions in neurons and astrocytes.

Science.gov (United States)

Biswas, Joyshree; Gupta, Sonam; Verma, Dinesh Kumar; Singh, Sarika

2017-07-25

The study was undertaken to explore the cell-specific streptozotocin (STZ)-induced mechanistic alterations. STZ-induced rodent model is a well-established experimental model of Alzheimer's disease (AD) and in our previous studies we have established it as an in vitro screening model of AD by employing N2A neuronal cells. Therefore, STZ was selected in the present study to understand the STZ-induced cell-specific alterations by utilizing neuronal N2A and astrocytes C6 cells. Both neuronal and astrocyte cells were treated with STZ at 10, 50, 100 and 1000μM concentrations for 48h. STZ exposure caused significant decline in cellular viability and augmented cytotoxicity of cells involving astrocytes activation. STZ treatment also disrupted the energy metabolism by altered glucose uptake and its transport in both cells as reflected with decreased expression of glucose transporters (GLUT) 1/3. The consequent decrease in ATP level and decreased mitochondrial membrane potential was also observed in both the cells. STZ caused increased intracellular calcium which could cause the initiation of endoplasmic reticulum (ER) stress. Significant upregulation of ER stress-related markers were observed in both cells after STZ treatment. The cellular communication of astrocytes and neurons was altered as reflected by increased expression of connexin 43 along with DNA fragmentation. STZ-induced apoptotic death was evaluated by elevated expression of caspase-3 and PI/Hoechst staining of cells. In conclusion, study showed that STZ exert alike biochemical alterations, ER stress and cellular apoptosis in both neuronal and astrocyte cells. Copyright © 2017 IBRO. Published by Elsevier Ltd. All rights reserved.

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)

The proton-coupled amino acid transporter hPAT1 is the main transporter involved in vigabatrin uptake in intestinal Caco-2 cells

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 review of model applications for structured soils: b) Pesticide transport.

Science.gov (United States)

Köhne, John Maximilian; Köhne, Sigrid; Simůnek, Jirka

2009-02-16

The past decade has seen considerable progress in the development of models simulating pesticide transport in structured soils subject to preferential flow (PF). Most PF pesticide transport models are based on the two-region concept and usually assume one (vertical) dimensional flow and transport. Stochastic parameter sets are sometimes used to account for the effects of spatial variability at the field scale. In the past decade, PF pesticide models were also coupled with Geographical Information Systems (GIS) and groundwater flow models for application at the catchment and larger regional scales. A review of PF pesticide model applications reveals that the principal difficulty of their application is still the appropriate parameterization of PF and pesticide processes. Experimental solution strategies involve improving measurement techniques and experimental designs. Model strategies aim at enhancing process descriptions, studying parameter sensitivity, uncertainty, inverse parameter identification, model calibration, and effects of spatial variability, as well as generating model emulators and databases. Model comparison studies demonstrated that, after calibration, PF pesticide models clearly outperform chromatographic models for structured soils. Considering nonlinear and kinetic sorption reactions further enhanced the pesticide transport description. However, inverse techniques combined with typically available experimental data are often limited in their ability to simultaneously identify parameters for describing PF, sorption, degradation and other processes. On the other hand, the predictive capacity of uncalibrated PF pesticide models currently allows at best an approximate (order-of-magnitude) estimation of concentrations. Moreover, models should target the entire soil-plant-atmosphere system, including often neglected above-ground processes such as pesticide volatilization, interception, sorption to plant residues, root uptake, and losses by runoff. The

Electron-vibron coupling effects on electron transport via a single-molecule magnet

NARCIS (Netherlands)

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,

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

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....

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

Transportation over long distance and thermal energy storage, coupling with energetic valuation processes from waste. State of art. Extended abstract

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)

Solid fuel applications to transportation engines

Energy Technology Data Exchange (ETDEWEB)

Rentz, Richard L.; Renner, Roy A.

1980-06-01

The utilization of solid fuels as alternatives to liquid fuels for future transportation engines is reviewed. Alternative liquid fuels will not be addressed nor will petroleum/solid fuel blends except for the case of diesel engines. With respect to diesel engines, coal/oil mixtures will be addressed because of the high interest in this specific application as a result of the large number of diesel engines currently in transportation use. Final assessments refer to solid fuels only for diesel engines. The technical assessments of solid fuels utilization for transportation engines is summarized: solid fuel combustion in transportation engines is in a non-developed state; highway transportation is not amenable to solid fuels utilization due to severe environmental, packaging, control, and disposal problems; diesel and open-cycle gas turbines do not appear worthy of further development, although coal/oil mixtures for slow speed diesels may offer some promise as a transition technology; closed-cycle gas turbines show some promise for solid fuels utilization for limited applications as does the Stirling engine for use of cleaner solid fuels; Rankine cycle engines show good potential for limited applications, such as for locomotives and ships; and any development program will require large resources and sophisticated equipment in order to advance the state-of-the-art.

ALTERATION OF U(VI)-PHASES UNDER OXIDIZING CONDITIONS

Energy Technology Data Exchange (ETDEWEB)

A.P. Deditius; S. Utsunomiya; R.C. Ewing

2006-02-21

Uranium-(VI) phases are the primary alteration products of the UO{sub 2} in spent nuclear fuel and the UO{sub 2+x}, in natural uranium deposits. The U(VI)-phases generally form sheet structures of edge-sharing UO{sub 2}{sup 2+} polyhedra. The complexity of these structures offers numerous possibilities for coupled-substitutions of trace metals and radionuclides. The incorporation of radionuclides into U(VI)-structures provides a potential barrier to their release and transport in a geologic repository that experiences oxidizing conditions. In this study, we have used natural samples of UO{sub 2+x}, to study the U(VI)-phases that form during alteration and to determine the fate of the associated trace elements.

ALTERATION OF U(VI)-PHASES UNDER OXIDIZING CONDITIONS

International Nuclear Information System (INIS)

A.P. Deditius; S. Utsunomiya; R.C. Ewing

2006-01-01

Uranium-(VI) phases are the primary alteration products of the UO 2 in spent nuclear fuel and the UO 2+x , in natural uranium deposits. The U(VI)-phases generally form sheet structures of edge-sharing UO 2 2+ polyhedra. The complexity of these structures offers numerous possibilities for coupled-substitutions of trace metals and radionuclides. The incorporation of radionuclides into U(VI)-structures provides a potential barrier to their release and transport in a geologic repository that experiences oxidizing conditions. In this study, we have used natural samples of UO 2+x , to study the U(VI)-phases that form during alteration and to determine the fate of the associated trace elements

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.

Initial Coupling of the RELAP-7 and PRONGHORN Applications

Energy Technology Data Exchange (ETDEWEB)

J. Ortensi; D. Andrs; A.A. Bingham; R.C. Martineau; J.W. Peterson

2012-10-01

Modern nuclear reactor safety codes require the ability to solve detailed coupled neutronic- thermal fluids problems. For larger cores, this implies fully coupled higher dimensionality spatial dynamics with appropriate feedback models that can provide enough resolution to accurately compute core heat generation and removal during steady and unsteady conditions. The reactor analysis code PRONGHORN is being coupled to RELAP-7 as a first step to extend RELAP’s current capabilities. This report details the mathematical models, the type of coupling, and the testing results from the integrated system. RELAP-7 is a MOOSE-based application that solves the continuity, momentum, and energy equations in 1-D for a compressible fluid. The pipe and joint capabilities enable it to model parts of the power conversion unit. The PRONGHORN application, also developed on the MOOSE infrastructure, solves the coupled equations that define the neutron diffusion, fluid flow, and heat transfer in a full core model. The two systems are loosely coupled to simplify the transition towards a more complex infrastructure. The integration is tested on a simplified version of the OECD/NEA MHTGR-350 Coupled Neutronics-Thermal Fluids benchmark model.

Reference tissue modeling with parameter coupling: application to a study of SERT binding in HIV

Energy Technology Data Exchange (ETDEWEB)

Endres, Christopher J; Pomper, Martin G [Russell H Morgan Department of Radiology and Radiological Science, Johns Hopkins Medical Institutions, Baltimore, MD 21231 (United States); Hammoud, Dima A, E-mail: endres@jhmi.edu [Radiology and Imaging Sciences, National Institutes of Health/Clinical Center, Bethesda, MD (United States)

2011-04-21

When applicable, it is generally preferred to evaluate positron emission tomography (PET) studies using a reference tissue-based approach as that avoids the need for invasive arterial blood sampling. However, most reference tissue methods have been shown to have a bias that is dependent on the level of tracer binding, and the variability of parameter estimates may be substantially affected by noise level. In a study of serotonin transporter (SERT) binding in HIV dementia, it was determined that applying parameter coupling to the simplified reference tissue model (SRTM) reduced the variability of parameter estimates and yielded the strongest between-group significant differences in SERT binding. The use of parameter coupling makes the application of SRTM more consistent with conventional blood input models and reduces the total number of fitted parameters, thus should yield more robust parameter estimates. Here, we provide a detailed evaluation of the application of parameter constraint and parameter coupling to [{sup 11}C]DASB PET studies. Five quantitative methods, including three methods that constrain the reference tissue clearance (k{sup r}{sub 2}) to a common value across regions were applied to the clinical and simulated data to compare measurement of the tracer binding potential (BP{sub ND}). Compared with standard SRTM, either coupling of k{sup r}{sub 2} across regions or constraining k{sup r}{sub 2} to a first-pass estimate improved the sensitivity of SRTM to measuring a significant difference in BP{sub ND} between patients and controls. Parameter coupling was particularly effective in reducing the variance of parameter estimates, which was less than 50% of the variance obtained with standard SRTM. A linear approach was also improved when constraining k{sup r}{sub 2} to a first-pass estimate, although the SRTM-based methods yielded stronger significant differences when applied to the clinical study. This work shows that parameter coupling reduces the

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 Eulerian-Lagrangian transport of large debris by tsunamis

Science.gov (United States)

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

Charge and Spin Transport in Spin-orbit Coupled and Topological Systems

KAUST Repository

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

A computational study on altered theta-gamma coupling during learning and phase coding.

Directory of Open Access Journals (Sweden)

Xuejuan Zhang

Full Text Available There is considerable interest in the role of coupling between theta and gamma oscillations in the brain in the context of learning and memory. Here we have used a neural network model which is capable of producing coupling of theta phase to gamma amplitude firstly to explore its ability to reproduce reported learning changes and secondly to memory-span and phase coding effects. The spiking neural network incorporates two kinetically different GABA(A receptor-mediated currents to generate both theta and gamma rhythms and we have found that by selective alteration of both NMDA receptors and GABA(A,slow receptors it can reproduce learning-related changes in the strength of coupling between theta and gamma either with or without coincident changes in theta amplitude. When the model was used to explore the relationship between theta and gamma oscillations, working memory capacity and phase coding it showed that the potential storage capacity of short term memories, in terms of nested gamma-subcycles, coincides with the maximal theta power. Increasing theta power is also related to the precision of theta phase which functions as a potential timing clock for neuronal firing in the cortex or hippocampus.

Mutations that alter the transport function of the LamB protein in Escherichia coli.

OpenAIRE

Wandersman, C; Schwartz, M

1982-01-01

Some Escherichia coli K-12 lamB mutants, those producing reduced amounts of LamB protein (one-tenth the wild type amount), grow normally on dextrins but transport maltose when present at a concentration of 1 microM at about one-tenth the normal rate. lamB Dex- mutants were found as derivatives of these strains. These Dex- mutants are considerably impaired in the transport of maltose at low concentrations (below 10 microM), and they have a structurally altered LamB protein which is impaired in...

Coupling ANIMO and MT3DMS for 3D regional-scale modeling of nutrient transport in soil and groundwater

Science.gov (United States)

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

Transport at basin scales: 2. Applications

Directory of Open Access Journals (Sweden)

A. Rinaldo

2006-01-01

Full Text Available In this paper, the second of a series, we apply the models discussed in Part 1 to a significant case study. The nature of the catchment under study, the transport phenomena investigated (i.e. nitrates moving as solutes within runoff waters and the scales involved in space and time, provide an elaborate test for theory and applications. Comparison of modeling predictions with field data (i.e. fluxes of carrier flow and solute nitrates suggests that the framework proposed for geomorphic transport models is capable to describe well large-scale transport phenomena driven and/or controlled by spatially distributed hydrologic fields (e.g. rainfall patterns in space and time, drainage pathways, soil coverage and type, matter stored in immobile phases. A sample MonteCarlo mode of application of the model is also discussed where hydrologic forcings and external nitrate applications (through fertilization are treated as random processes.

Mass transport in low permeability rocks under the influence of coupled thermomechanical and hydrochemical effects - an overview

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

Dynamical theory of single-photon transport in a one-dimensional waveguide coupled to identical and nonidentical emitters

Science.gov (United States)

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.

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.

Spin-orbit coupling, electron transport and pairing instabilities in two-dimensional square structures

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.

Spin-orbit coupling, electron transport and pairing instabilities in two-dimensional square structures

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.

Phosphoenolpyruvate-dependent fructose phosphotransferase system in Rhodopseudomonas sphaeroides : The coupling between transport and phosphorylation in inside-out vesicles

NARCIS (Netherlands)

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

Development of CO2 inversion system based on the adjoint of the global coupled transport model

Science.gov (United States)

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

An immersed body method for coupled neutron transport and thermal hydraulic simulations of PWR assemblies

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

Exciton-plasmon coupling interactions: from principle to applications

Science.gov (United States)

Cao, En; Lin, Weihua; Sun, Mengtao; Liang, Wenjie; Song, Yuzhi

2018-01-01

The interaction of exciton-plasmon coupling and the conversion of exciton-plasmon-photon have been widely investigated experimentally and theoretically. In this review, we introduce the exciton-plasmon interaction from basic principle to applications. There are two kinds of exciton-plasmon coupling, which demonstrate different optical properties. The strong exciton-plasmon coupling results in two new mixed states of light and matter separated energetically by a Rabi splitting that exhibits a characteristic anticrossing behavior of the exciton-LSP energy tuning. Compared to strong coupling, such as surface-enhanced Raman scattering, surface plasmon (SP)-enhanced absorption, enhanced fluorescence, or fluorescence quenching, there is no perturbation between wave functions; the interaction here is called the weak coupling. SP resonance (SPR) arises from the collective oscillation induced by the electromagnetic field of light and can be used for investigating the interaction between light and matter beyond the diffraction limit. The study on the interaction between SPR and exaction has drawn wide attention since its discovery not only due to its contribution in deepening and broadening the understanding of SPR but also its contribution to its application in light-emitting diodes, solar cells, low threshold laser, biomedical detection, quantum information processing, and so on.

Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains

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...

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)

A Mathematical Model of Solute Coupled Water Transport in Toad Intestine Incorporating Recirculation of the Actively Transported Solute

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...

Final report on LDRD project : coupling strategies for multi-physics applications.

Energy Technology Data Exchange (ETDEWEB)

Hopkins, Matthew Morgan; Moffat, Harry K.; Carnes, Brian; Hooper, Russell Warren; Pawlowski, Roger P.

2007-11-01

Many current and future modeling applications at Sandia including ASC milestones will critically depend on the simultaneous solution of vastly different physical phenomena. Issues due to code coupling are often not addressed, understood, or even recognized. The objectives of the LDRD has been both in theory and in code development. We will show that we have provided a fundamental analysis of coupling, i.e., when strong coupling vs. a successive substitution strategy is needed. We have enabled the implementation of tighter coupling strategies through additions to the NOX and Sierra code suites to make coupling strategies available now. We have leveraged existing functionality to do this. Specifically, we have built into NOX the capability to handle fully coupled simulations from multiple codes, and we have also built into NOX the capability to handle Jacobi Free Newton Krylov simulations that link multiple applications. We show how this capability may be accessed from within the Sierra Framework as well as from outside of Sierra. The critical impact from this LDRD is that we have shown how and have delivered strategies for enabling strong Newton-based coupling while respecting the modularity of existing codes. This will facilitate the use of these codes in a coupled manner to solve multi-physic applications.

Final Report Coupling in silico microbial models with reactive transport models to predict the fate of contaminants in the subsurface.

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.

Strong-coupling theory of superconductivity

International Nuclear Information System (INIS)

Rainer, D.; Sauls, J.A.

1995-01-01

The electronic properties of correlated metals with a strong electron-phonon coupling may be understood in terms of a combination of Landau''s Fermi liquid theory and the strong-coupling theory of Migdal and Eliashberg. In these lecture notes we discuss the microscopic foundations of this phenomenological Fermi-liquid model of correlated, strong-coupling metals. We formulate the basic equations of the model, which are quasiclassical transport equations that describe both equilibrium and non-equilibrium phenomena for the normal and superconducting states of a metal. Our emphasis is on superconductors close to equilibrium, for which we derive the general linear response theory. As an application we calculate the dynamical conductivity of strong-coupling superconductors. (author)

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

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.

Panel 4 - applications to transportation

Energy Technology Data Exchange (ETDEWEB)

Nichols, F. [Argonne National Lab., IL (United States); Au, J. [Sundstrand Aerospace, Rockford, IL (United States); Bhattacharya, R. [Universal Energy Systems, Inc., Dayton, OH (United States); Bhushan, B. [Ohio State Univ., Columbus (United States); Blunier, D. [Caterpillar, Inc., Peoria, IL (United States); Boardman, B. [Deere & Co., Moline, IL (United States); Brombolich, L. [Compu-Tec Engineering, Chesterfield, MO (United States); Davidson, J. [Vanderbilt Univ., Nashville, TN (United States); Graham, M. [Northwestern Univ., Evanston, IL (United States); Hakim, N. [Detroit Diesel Corp., MI (United States); Harris, K. [Dubbeldee Harris Diamond Corp., Mt. Arlington, NJ (United States); Hay, R. [Norton Diamond Film, Northboro, MA (United States); Herk, L. [Southwest Research Inst., Southfield, MI (United States); Hojnacki, H.; Rourk, D. [Intelligent Structures Incorporated, Canton, MI (United States); Kamo, R. [Adiabatics, Inc., Columbus, IN (United States); Nieman, B. [Allied-Signal Inc., Des Plaines, IL (United States); O`Neill, D. [3M, St. Paul, MN (United States); Peterson, M.B. [Wear Sciences, Arnold, MD (United States); Pfaffenberger, G. [Allison Gas Turbine, Indianapolis, IN (United States); Pryor, R.W. [Wayne State Univ., Detroit, MI (United States); Russell, J. [Superconductivity Publications, Inc., Somerset, NJ (United States); Syniuta, W. [Advanced Mechanical Technology, Inc., Newton, MA (United States); Tamor, M. [Ford Motor Co., Dearborn, MI (United States); Vojnovich, T. [Dept. of Energy, Washington, DC (United States); Yarbrough, W. [Pennsylvania State Univ., University Park (United States); Yust, C.S. [Oak Ridge National Lab., TN (United States)

1993-01-01

The aim of this group was to compile a listing of current and anticipated future problem areas in the transportation industry where the properties of diamond and DLC films make them especially attractive and where the panel could strongly endorse the establishment of DOE/Transportation Industry cooperative research efforts. This section identifies the problem areas for possible applications of diamond/DLC technology and presents indications of current approaches to these problems.

INES- French application to radioactive material transport

International Nuclear Information System (INIS)

Sowinski, S.; Strawa, S.; Aguilar, J.

2004-01-01

After gaining control of radioactive material transport in June 1997, the French Nuclear Safety Authority (ASN) decided to apply the International Nuclear Event Scale (INES scale) to transport events. The Directorate General for Nuclear Safety and Radioprotection (DGSNR) requests that radioactive material package consignors declare any event occurring during transport, and has introduced the use of the INES scale adapted to classify transport events in order to inform the public and to have feedback. The INES scale is applicable to events arising in nuclear installations associated with the civil nuclear industry and events occurring during the transport of radioactive materials to and from them. The INES scale consists of seven levels. It is based on the successive application of three types of criterion (off-site impact, on-site impact and degradation of defence in depth) and uses the maximum level to determine the rating of an accident. As the transport in question takes place on public thoroughfares, only the off-site impact criteria and degradation of defence in-depth criteria apply. This paper deals with DGSNR's feedback during the past 7 years concerning the French application of the INES scale. Significant events that occurred during transport are presented. The French experience was used by the International Atomic Energy Agency (IAEA) to develop a draft guide in 2002 and the IAEA asked countries to use a new draft for a trial period in July 2004. (author)

Framework Application for Core Edge Transport Simulation (FACETS)

Energy Technology Data Exchange (ETDEWEB)

Malony, Allen D; Shende, Sameer S; Huck, Kevin A; Mr. Alan Morris, and Mr. Wyatt Spear

2012-03-14

The goal of the FACETS project (Framework Application for Core-Edge Transport Simulations) was to provide a multiphysics, parallel framework application (FACETS) that will enable whole-device modeling for the U.S. fusion program, to provide the modeling infrastructure needed for ITER, the next step fusion confinement device. Through use of modern computational methods, including component technology and object oriented design, FACETS is able to switch from one model to another for a given aspect of the physics in a flexible manner. This enables use of simplified models for rapid turnaround or high-fidelity models that can take advantage of the largest supercomputer hardware. FACETS does so in a heterogeneous parallel context, where different parts of the application execute in parallel by utilizing task farming, domain decomposition, and/or pipelining as needed and applicable. ParaTools, Inc. was tasked with supporting the performance analysis and tuning of the FACETS components and framework in order to achieve the parallel scaling goals of the project. The TAU Performance System® was used for instrumentation, measurement, archiving, and profile / tracing analysis. ParaTools, Inc. also assisted in FACETS performance engineering efforts. Through the use of the TAU Performance System, ParaTools provided instrumentation, measurement, analysis and archival support for the FACETS project. Performance optimization of key components has yielded significant performance speedups. TAU was integrated into the FACETS build for both the full coupled application and the UEDGE component. The performance database provided archival storage of the performance regression testing data generated by the project, and helped to track improvements in the software development.

75 FR 72824 - Ocean Transportation Intermediary License Applicants

Science.gov (United States)

2010-11-26

... & OFF License. Everglory Logistics, Inc. (NVO & OFF), 440 McClellan Highway, 105F2, East Boston, MA..., Application Type: New NVO & OFF License. Hawaii Intermodal Tank Transport, LLC (NVO & OFF), 2350 S. Dock... Tran, Manager, Application Type: New NVO & OFF License. ITL USA Inc. dba International Transport...

Altered Coupling Between Resting-State Cerebral Blood Flow and Functional Connectivity in Schizophrenia.

Science.gov (United States)

Zhu, Jiajia; Zhuo, Chuanjun; Xu, Lixue; Liu, Feng; Qin, Wen; Yu, Chunshui

2017-10-21

Respective changes in resting-state cerebral blood flow (CBF) and functional connectivity in schizophrenia have been reported. However, their coupling alterations in schizophrenia remain largely unknown. 89 schizophrenia patients and 90 sex- and age-matched healthy controls underwent resting-state functional MRI to calculate functional connectivity strength (FCS) and arterial spin labeling imaging to compute CBF. The CBF-FCS coupling of the whole gray matter and the CBF/FCS ratio (the amount of blood supply per unit of connectivity strength) of each voxel were compared between the 2 groups. Whole gray matter CBF-FCS coupling was decreased in schizophrenia patients relative to healthy controls. In schizophrenia patients, the decreased CBF/FCS ratio was predominantly located in cognitive- and emotional-related brain regions, including the dorsolateral prefrontal cortex, insula, hippocampus and thalamus, whereas an increased CBF/FCS ratio was mainly identified in the sensorimotor regions, including the putamen, and sensorimotor, mid-cingulate and visual cortices. These findings suggest that the neurovascular decoupling in the brain may be a possible neuropathological mechanism of schizophrenia. © The Author 2017. Published by Oxford University Press on behalf of the Maryland Psychiatric Research Center. All rights reserved. For permissions, please email: journals.permissions@oup.com

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...

Investigation of hurricane Ivan using the coupled ocean-atmosphere-wave-sediment transport (COAWST) model

Science.gov (United States)

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).

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

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.

Validation of the 3D finite element transport theory code EVENT for shielding applications

International Nuclear Information System (INIS)

Warner, Paul; Oliveira, R.E. de

2000-01-01

This paper is concerned with the validation of the 3D deterministic neutral-particle transport theory code EVENT for shielding applications. The code is based on the finite element-spherical harmonics (FE-P N ) method which has been extensively developed over the last decade. A general multi-group, anisotropic scattering formalism enables the code to address realistic steady state and time dependent, multi-dimensional coupled neutron/gamma radiation transport problems involving high scattering and deep penetration alike. The powerful geometrical flexibility and competitive computational effort makes the code an attractive tool for shielding applications. In recognition of this, EVENT is currently in the process of being adopted by the UK nuclear industry. The theory behind EVENT is described and its numerical implementation is outlined. Numerical results obtained by the code are compared with predictions of the Monte Carlo code MCBEND and also with the results from benchmark shielding experiments. In particular, results are presented for the ASPIS experimental configuration for both neutron and gamma ray calculations using the BUGLE 96 nuclear data library. (author)

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

Three dimensional model evaluation of physical alterations of the Caloosahatchee River and Estuary: Impact on salt transport

Science.gov (United States)

Sun, Detong; Wan, Yongshan; Qiu, Chelsea

2016-05-01

Numerical hydrodynamic modeling provides quantitative understanding of how physical alterations of an estuary may alter the waterbody hydrodynamics and the rate of mixing with the ocean. In this study, a three dimensional hydrodynamic model (CH3D) was used to compare simulated salinities between the existing condition and five historical cases representing varying physical alterations of the Caloosahatchee Estuary involving (1) removal of the headwater structure (S-79); (2) removal of the downstream causeway to Sanibel Island; (3) backfilling an oyster bar near the estuary month; (4) refilling the navigation channel; and (5) the pre-development bathymetric condition. The results suggested that some alterations including the Sanibel Causeway, backfilling the oyster bar and the S-79 structure may have some local effects but did not change estuarine salinity structure significantly. Refilling the navigation channel had a more profound effect, resulting in a dry season salinity reduction of about 5 when compared with the existing condition. The reduced salt transport was more pronounced with the pre-development bathymetry because the estuary as a whole was much shallower than today. The significant system-wide increase in salt transport caused by the historic dredging of the navigation channel in the Caloosahatchee Estuary has significant implications in the development of attainable environmental flow targets for protecting the estuarine ecosystem.

Chlorovirus-mediated membrane depolarization of Chlorella alters secondary active transport of solutes.

Science.gov (United States)

Agarkova, Irina; Dunigan, David; Gurnon, James; Greiner, Timo; Barres, Julia; Thiel, Gerhard; Van Etten, James L

2008-12-01

Paramecium bursaria chlorella virus 1 (PBCV-1) is the prototype of a family of large, double-stranded DNA, plaque-forming viruses that infect certain eukaryotic chlorella-like green algae from the genus Chlorovirus. PBCV-1 infection results in rapid host membrane depolarization and potassium ion release. One interesting feature of certain chloroviruses is that they code for functional potassium ion-selective channel proteins (Kcv) that are considered responsible for the host membrane depolarization and, as a consequence, the efflux of potassium ions. This report examines the relationship between cellular depolarization and solute uptake. Annotation of the virus host Chlorella strain NC64A genome revealed 482 putative transporter-encoding genes; 224 are secondary active transporters. Solute uptake experiments using seven radioactive compounds revealed that virus infection alters the transport of all the solutes. However, the degree of inhibition varied depending on the solute. Experiments with nystatin, a drug known to depolarize cell membranes, produced changes in solute uptake that are similar but not identical to those that occurred during virus infection. Therefore, these studies indicate that chlorovirus infection causes a rapid and sustained depolarization of the host plasma membrane and that this depolarization leads to the inhibition of secondary active transporters that changes solute uptake.

CryoEM structure of the human SLC4A4 sodium-coupled acid-base transporter NBCe1.

Science.gov (United States)

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.

Three-Dimensional Network Model for Coupling of Fracture and Mass Transport in Quasi-Brittle Geomaterials

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.

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...

ITS version 5.0 :the integrated TIGER series of coupled electron/Photon monte carlo transport codes with CAD geometry.

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.

Stress-induced alterations of left-right electrodermal activity coupling indexed by pointwise transinformation.

Science.gov (United States)

Světlák, M; Bob, P; Roman, R; Ježek, S; Damborská, A; Chládek, J; Shaw, D J; Kukleta, M

2013-01-01

In this study, we tested the hypothesis that experimental stress induces a specific change of left-right electrodermal activity (EDA) coupling pattern, as indexed by pointwise transinformation (PTI). Further, we hypothesized that this change is associated with scores on psychometric measures of the chronic stress-related psychopathology. Ninety-nine university students underwent bilateral measurement of EDA during rest and stress-inducing Stroop test and completed a battery of self-report measures of chronic stress-related psychopathology. A significant decrease in the mean PTI value was the prevalent response to the stress conditions. No association between chronic stress and PTI was found. Raw scores of psychometric measures of stress-related psychopathology had no effect on either the resting levels of PTI or the amount of stress-induced PTI change. In summary, acute stress alters the level of coupling pattern of cortico-autonomic influences on the left and right sympathetic pathways to the palmar sweat glands. Different results obtained using the PTI, EDA laterality coefficient, and skin conductance level also show that the PTI algorithm represents a new analytical approach to EDA asymmetry description.

Implications of Lagrangian transport for coupled chemistry-climate simulations

Science.gov (United States)

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

Inverse transport theory and applications

International Nuclear Information System (INIS)

Bal, Guillaume

2009-01-01

Inverse transport consists of reconstructing the optical properties of a domain from measurements performed at the domain's boundary. This review concerns several types of measurements: time-dependent, time-independent, angularly resolved and angularly averaged measurements. We review recent results on the reconstruction of the optical parameters from such measurements and the stability of such reconstructions. Inverse transport finds applications e.g. in medical imaging (optical tomography, optical molecular imaging) and in geophysical imaging (remote sensing in the Earth's atmosphere). (topical review)

Na+-coupled bicarbonate transporters in duodenum, collecting ducts and choroid plexus.

Science.gov (United States)

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.

Unconventional quantized edge transport in the presence of inter-edge coupling in intercalated graphene

OpenAIRE

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...

Implementation of the vortex force formalism in the coupled ocean-atmosphere-wave-sediment transport (COAWST) modeling system for inner shelf and surf zone applications

Science.gov (United States)

Kumar, Nirnimesh; Voulgaris, George; Warner, John C.; Olabarrieta, Maitane

2012-01-01

The coupled ocean-atmosphere-wave-sediment transport modeling system (COAWST) enables simulations that integrate oceanic, atmospheric, wave and morphological processes in the coastal ocean. Within the modeling system, the three-dimensional ocean circulation module (ROMS) is coupled with the wave generation and propagation model (SWAN) to allow full integration of the effect of waves on circulation and vice versa. The existing wave-current coupling component utilizes a depth dependent radiation stress approach. In here we present a new approach that uses the vortex force formalism. The formulation adopted and the various parameterizations used in the model as well as their numerical implementation are presented in detail. The performance of the new system is examined through the presentation of four test cases. These include obliquely incident waves on a synthetic planar beach and a natural barred beach (DUCK' 94); normal incident waves on a nearshore barred morphology with rip channels; and wave-induced mean flows outside the surf zone at the Martha's Vineyard Coastal Observatory (MVCO).

Light-matter interaction in the strong coupling regime: configurations, conditions, and applications.

Science.gov (United States)

Dovzhenko, D S; Ryabchuk, S V; Rakovich, Yu P; Nabiev, I R

2018-02-22

Resonance interaction between a molecular transition and a confined electromagnetic field can reach the coupling regime where coherent exchange of energy between light and matter becomes reversible. In this case, two new hybrid states separated in energy are formed instead of independent eigenstates, which is known as Rabi splitting. This modification of the energy spectra of the system offers new possibilities for controlled impact on various fundamental properties of coupled matter (such as the rate of chemical reactions and the conductivity of organic semiconductors). To date, the strong coupling regime has been demonstrated in many configurations under different ambient conditions. However, there is still no comprehensive approach to determining parameters for achieving the strong coupling regime for a wide range of practical applications. In this review, a detailed analysis of various systems and corresponding conditions for reaching strong coupling is carried out and their advantages and disadvantages, as well as the prospects for application, are considered. The review also summarizes recent experiments in which the strong coupling regime has led to new interesting results, such as the possibility of collective strong coupling between X-rays and matter excitation in a periodic array of Fe isotopes, which extends the applications of quantum optics; a strong amplification of the Raman scattering signal from a coupled system, which can be used in surface-enhanced and tip-enhanced Raman spectroscopy; and more efficient second-harmonic generation from the low polaritonic state, which is promising for nonlinear optics. The results reviewed demonstrate great potential for further practical applications of strong coupling in the fields of photonics (low-threshold lasers), quantum communications (switches), and biophysics (molecular fingerprinting).

Testing of a benchscale Reverse Osmosis/Coupled Transport system for treating contaminated groundwater

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

A coupled geochemical-transport-geomechanical model to address caprock integrity during long-term CO2 storage

NARCIS (Netherlands)

Veer, E.F. van der; Waldmann, S.; Fokker, P.A.

2015-01-01

Underground storage of CO2 will lead to chemical fluid-rock interactions which may potentially alter the porosity and the flow patterns in faults. In this study, we present a coupled numerical model combining chemical fluid-rock interactions, aqueous diffusion, fluid flow, and mechanical processes,

Investigation of RFID Based Sensors for Sustainable Transportation Applications

Science.gov (United States)

2011-01-21

Through support of a University Transportation Research Center Faculty Development Minigrant an investigation was made into the use of RFID based sensing technologies for transportation purposes. Transportation applications would potentially include ...

Examining the impacts of increased corn production on groundwater quality using a coupled modeling system

Science.gov (United States)

This study demonstrates the value of a coupled chemical transport modeling system for investigating groundwater nitrate contamination responses associated with nitrogen (N) fertilizer application and increased corn production. The coupled Community Multiscale Air Quality Bidirect...

Simulating Salt Movement using a Coupled Salinity Transport Model in a Variably Saturated Agricultural Groundwater System

Science.gov (United States)

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 Solute and Fine Particle Transport with Sand Bed Morphodynamics within a Field Experiment

Science.gov (United States)

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.

Dual states estimation of a subsurface flow-transport coupled model using ensemble Kalman filtering

KAUST Repository

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

3-D pore-scale resolved model for coupled species/charge/fluid transport in a vanadium redox flow battery

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.

Development and application of neutron transport methods and uncertainty analyses for reactor core calculations. Technical report; Entwicklung und Einsatz von Neutronentransportmethoden und Unsicherheitsanalysen fuer Reaktorkernberechnungen. Technischer Bericht

Energy Technology Data Exchange (ETDEWEB)

Zwermann, W.; Aures, A.; Bernnat, W.; and others

2013-06-15

This report documents the status of the research and development goals reached within the reactor safety research project RS1503 ''Development and Application of Neutron Transport Methods and Uncertainty Analyses for Reactor Core Calculations'' as of the 1{sup st} quarter of 2013. The superordinate goal of the project is the development, validation, and application of neutron transport methods and uncertainty analyses for reactor core calculations. These calculation methods will mainly be applied to problems related to the core behaviour of light water reactors and innovative reactor concepts. The contributions of this project towards achieving this goal are the further development, validation, and application of deterministic and stochastic calculation programmes and of methods for uncertainty and sensitivity analyses, as well as the assessment of artificial neutral networks, for providing a complete nuclear calculation chain. This comprises processing nuclear basis data, creating multi-group data for diffusion and transport codes, obtaining reference solutions for stationary states with Monte Carlo codes, performing coupled 3D full core analyses in diffusion approximation and with other deterministic and also Monte Carlo transport codes, and implementing uncertainty and sensitivity analyses with the aim of propagating uncertainties through the whole calculation chain from fuel assembly, spectral and depletion calculations to coupled transient analyses. This calculation chain shall be applicable to light water reactors and also to innovative reactor concepts, and therefore has to be extensively validated with the help of benchmarks and critical experiments.

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

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

The Effects of Different Electron-Phonon Couplings on the Spectral and Transport Properties of Small Molecule Single-Crystal Organic Semiconductors

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

Gas transport in porous media

CERN Document Server

Ho, Clifford K

2006-01-01

This book presents a compilation of state-of-the art studies on gas and vapor transport processes in porous and fractured media. A broad set of models and processes are presented, including advection/diffusion, the Dusty Gas Model, enhanced vapor diffusion, phase change, coupled processes, solid/vapor sorption, and vapor-pressure lowering. Numerous applications are also presented that illustrate these processes and models in current problems facing the scientific community. This book fills a gap in the general area of transport in porous and fractured media; an area that has historically been dominated by studies of liquid-phase flow and transport. This book identifies gas and vapor transport processes that may be important or dominant in various applications, and it exploits recent advances in computational modeling and experimental methods to present studies that distinguish the relative importance of various mechanisms of transport in complex media.

Numerical modeling of coupled water flow and heat transport in soil and snow

Science.gov (United States)

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...

Application of the numerical Laplace transform inversion to neutron transport theory

International Nuclear Information System (INIS)

Ganapol, B.D.

1989-01-01

A numerical Laplace transform inversion is developed using the Hurwitz-Zweifel method of evaluating the Fourier cosine integral coupled with an Euler-Knopp transformation. The numerical inversion is then applied to problems in linear transport theory concerning slowing down, time-dependence and featuring the determination of the interior scalar flux solution to the one-group stationary transport equation in half-space geometry

Experimental studies and modelling of cation interactions with solid materials: application to the MIMICC project. (Multidimensional Instrumented Module for Investigations on chemistry-transport Coupled Codes)

International Nuclear Information System (INIS)

Hardin, Emmanuelle

1999-01-01

The study of cation interactions with solid materials is useful in order to define the chemistry interaction component of the MIMICC project (Multidimensional Instrumented Module for Investigations on chemistry-transport Coupled Codes). This project will validate the chemistry-transport coupled codes. Database have to be supplied on the cesium or ytterbium interactions with solid materials in suspension. The solid materials are: a strong cation exchange resin, a natural sand which presents small impurities, and a zirconium phosphate. The cation exchange resin is useful to check that the surface complexation theory can be applied on a pure cation exchanger. The sand is a natural material, and its isotherms will be interpreted using pure oxide-cation system data, such as pure silica-cation data. Then the study on the zirconium phosphate salt is interesting because of the increasing complexity in the processes (dissolution, sorption and co-precipitation). These data will enable to approach natural systems, constituted by several complex solids which can interfere on each other. These data can also be used for chemistry-transport coupled codes. Potentiometric titration, sorption isotherms, sorption kinetics, cation surface saturation curves are made, in order to obtain the different parameters relevant to the cation sorption at the solid surface, for each solid-electrolyte-cation system. The influence of different parameters such as ionic strength, pH, and electrolyte is estimated. All the experimental curves are fitted with FITEQL code based on the surface complexation theory using the constant capacitance model, in order to give a mechanistic interpretation of the ion retention phenomenon at the solid surface. The speciation curves of all systems are plotted, using the FITEQL code too. Systems with an increasing complexity are studied: dissolution, sorption and coprecipitation coexist in the cation-salt systems. Then the data obtained on each single solid, considered

Application of coupled codes for safety analysis and licensing issues

International Nuclear Information System (INIS)

Langenbuch, S.; Velkov, K.

2006-01-01

An overview is given on the development and the advantages of coupled codes which integrate 3D neutron kinetics into thermal-hydraulic system codes. The work performed within GRS by coupling the thermal-hydraulic system code ATHLET and the 3D neutronics code QUABOX/CUBBOX is described as an example. The application of the coupled codes as best-estimate simulation tools for safety analysis is discussed. Some examples from German licensing practices are given which demonstrate how the improved analytical methods of coupled codes have contributed to solve licensing issues related to optimized and more economical use of fuel. (authors)

One-Dimensional Transport with Equilibrium Chemistry (OTEQ) - A Reactive Transport Model for Streams and Rivers

Science.gov (United States)

Runkel, Robert L.

2010-01-01

OTEQ is a mathematical simulation model used to characterize the fate and transport of waterborne solutes in streams and rivers. The model is formed by coupling a solute transport model with a chemical equilibrium submodel. The solute transport model is based on OTIS, a model that considers the physical processes of advection, dispersion, lateral inflow, and transient storage. The equilibrium submodel is based on MINTEQ, a model that considers the speciation and complexation of aqueous species, acid-base reactions, precipitation/dissolution, and sorption. Within OTEQ, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (waterborne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach. The model's ability to simulate pH, precipitation/dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between instream chemistry and hydrologic transport at the field scale. This report details the development and application of OTEQ. Sections of the report describe model theory, input/output specifications, model applications, and installation instructions. OTEQ may be obtained over the Internet at http://water.usgs.gov/software/OTEQ.

Development, Testing, and Application of a Coupled Hydrodynamic Surface-Water/Groundwater Model (FTLOADDS) with Heat and Salinity Transport in the Ten Thousand Islands/Picayune Strand Restoration Project Area, Florida

Science.gov (United States)

Swain, Eric D.; Decker, Jeremy D.

2009-01-01

A numerical model application was developed for the coastal area inland of the Ten Thousand Islands (TTI) in southwestern Florida using the Flow and Transport in a Linked Overland/Aquifer Density-Dependent System (FTLOADDS) model. This model couples a two-dimensional dynamic surface-water model with a three-dimensional groundwater model, and has been applied to several locations in southern Florida. The model application solves equations for salt transport in groundwater and surface water, and also simulates surface-water temperature using a newly enhanced heat transport algorithm. One of the purposes of the TTI application is to simulate hydrologic factors that relate to habitat suitability for the West Indian Manatee. Both salinity and temperature have been shown to be important factors for manatee survival. The inland area of the TTI domain is the location of the Picayune Strand Restoration Project, which is designed to restore predevelopment hydrology through the filling and plugging of canals, construction of spreader channels, and the construction of levees and pump stations. The effects of these changes are simulated to determine their effects on manatee habitat. The TTI application utilizes a large amount of input data for both surface-water and groundwater flow simulations. These data include topography, frictional resistance, atmospheric data including rainfall and air temperature, aquifer properties, and boundary conditions for tidal levels, inflows, groundwater heads, and salinities. Calibration was achieved by adjusting the parameters having the largest uncertainty: surface-water inflows, the surface-water transport dispersion coefficient, and evapotranspiration. A sensitivity analysis did not indicate that further parameter changes would yield an overall improvement in simulation results. The agreement between field data from GPS-tracked manatees and TTI application results demonstrates that the model can predict the salinity and temperature

Concatenating algorithms for parallel numerical simulations coupling radiation hydrodynamics with neutron transport

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)

Simulating selenium and nitrogen fate and transport in coupled stream-aquifer systems of irrigated regions

Science.gov (United States)

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.

Simulating selenium and nitrogen fate and transport in coupled stream-aquifer systems of irrigated regions

Science.gov (United States)

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.

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

CALCULATING BEDLOAD TRANSPORT IN RIVERS: CONCEPTS, CALCULUS ROUTINES AND APPLICATION

Directory of Open Access Journals (Sweden)

Hudson de Azevedo Macedo

2017-10-01

Full Text Available Rivers are immensely important to human activities such as water supply, navigation, energy generation, and agriculture. They are also an important morphodynamic agent of erosion, transport and deposition. Their capacity to transport sediment depends on their hydraulic characteristics and can be predicted by mathematical models. Several mathematical models can be used to compute bed-load transport. Each one is appropriately better for certain conditions. In this paper, we present an application built in Microsoft Excel to compute the bed-load transport in rivers based on the Van Rijn mathematical model. The Van Rijn model is appropriate for rivers transporting sandy sediments in conditions of subcritical flow. Hydraulic parameters such as channel slope, stream power, and Reynolds and Froude numbers can be calculated using the application proposed here. The application was tested in the Paraná River and results from the calculations are consistent with data obtained from fieldwork surveys. The error of the application was only 20%, which shows good agreement of the model with survey values.

Drift-Scale Coupled Processes (DST and THC Seepage) Models

International Nuclear Information System (INIS)

Dixon, P.

2004-01-01

The purpose of this Model Report (REV02) is to document the unsaturated zone (UZ) models used to evaluate the potential effects of coupled thermal-hydrological-chemical (THC) processes on UZ flow and transport. This Model Report has been developed in accordance with the ''Technical Work Plan for: Performance Assessment Unsaturated Zone'' (Bechtel SAIC Company, LLC (BSC) 2002 [160819]). The technical work plan (TWP) describes planning information pertaining to the technical scope, content, and management of this Model Report in Section 1.12, Work Package AUZM08, ''Coupled Effects on Flow and Seepage''. The plan for validation of the models documented in this Model Report is given in Attachment I, Model Validation Plans, Section I-3-4, of the TWP. Except for variations in acceptance criteria (Section 4.2), there were no deviations from this TWP. This report was developed in accordance with AP-SIII.10Q, ''Models''. This Model Report documents the THC Seepage Model and the Drift Scale Test (DST) THC Model. The THC Seepage Model is a drift-scale process model for predicting the composition of gas and water that could enter waste emplacement drifts and the effects of mineral alteration on flow in rocks surrounding drifts. The DST THC model is a drift-scale process model relying on the same conceptual model and much of the same input data (i.e., physical, hydrological, thermodynamic, and kinetic) as the THC Seepage Model. The DST THC Model is the primary method for validating the THC Seepage Model. The DST THC Model compares predicted water and gas compositions, as well as mineral alteration patterns, with observed data from the DST. These models provide the framework to evaluate THC coupled processes at the drift scale, predict flow and transport behavior for specified thermal-loading conditions, and predict the evolution of mineral alteration and fluid chemistry around potential waste emplacement drifts. The DST THC Model is used solely for the validation of the THC

78 FR 50054 - Ocean Transportation Intermediary License Applicants

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2013-08-16

...), Ross V. Stemmler, President, Application Type: QI Change. Dawson Logistics, Inc. (OFF), 2220 South... (QI), Chad Earwood, President, Application Type: Add NVO Service. Fesco Integrated Transport North...), Ugochukwu O. Ene, President, Application Type: New NVO & OFF License. Icon Logistics Services LLC (OFF...

Concurrent, parallel, multiphysics coupling in the FACETS project

Energy Technology Data Exchange (ETDEWEB)

Cary, J R; Carlsson, J A; Hakim, A H; Kruger, S E; Miah, M; Pletzer, A; Shasharina, S [Tech-X Corporation, 5621 Arapahoe Avenue, Suite A, Boulder, CO 80303 (United States); Candy, J; Groebner, R J [General Atomics (United States); Cobb, J; Fahey, M R [Oak Ridge National Laboratory (United States); Cohen, R H; Epperly, T [Lawrence Livermore National Laboratory (United States); Estep, D J [Colorado State University (United States); Krasheninnikov, S [University of California at San Diego (United States); Malony, A D [ParaTools, Inc (United States); McCune, D C [Princeton Plasma Physics Laboratory (United States); McInnes, L; Balay, S [Argonne National Laboratory (United States); Pankin, A, E-mail: cary@txcorp.co [Lehigh University (United States)

2009-07-01

FACETS (Framework Application for Core-Edge Transport Simulations), is now in its third year. The FACETS team has developed a framework for concurrent coupling of parallel computational physics for use on Leadership Class Facilities (LCFs). In the course of the last year, FACETS has tackled many of the difficult problems of moving to parallel, integrated modeling by developing algorithms for coupled systems, extracting legacy applications as components, modifying them to run on LCFs, and improving the performance of all components. The development of FACETS abides by rigorous engineering standards, including cross platform build and test systems, with the latter covering regression, performance, and visualization. In addition, FACETS has demonstrated the ability to incorporate full turbulence computations for the highest fidelity transport computations. Early indications are that the framework, using such computations, scales to multiple tens of thousands of processors. These accomplishments were a result of an interdisciplinary collaboration among computational physics, computer scientists and applied mathematicians on the team.

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.)

Altered effect of dopamine transporter 3'UTR VNTR genotype on prefrontal and striatal function in schizophrenia.

Science.gov (United States)

Prata, Diana P; Mechelli, Andrea; Picchioni, Marco M; Fu, Cynthia H Y; Toulopoulou, Timothea; Bramon, Elvira; Walshe, Muriel; Murray, Robin M; Collier, David A; McGuire, Philip

2009-11-01

The dopamine transporter plays a key role in the regulation of central dopaminergic transmission, which modulates cognitive processing. Disrupted dopamine function and impaired executive processing are robust features of schizophrenia. To examine the effect of a polymorphism in the dopamine transporter gene (the variable number of tandem repeats in the 3' untranslated region) on brain function during executive processing in healthy volunteers and patients with schizophrenia. We hypothesized that this variation would have a different effect on prefrontal and striatal activation in schizophrenia, reflecting altered dopamine function. Case-control study. Psychiatric research center. Eighty-five subjects, comprising 44 healthy volunteers (18 who were 9-repeat carriers and 26 who were 10-repeat homozygotes) and 41 patients with DSM-IV schizophrenia (18 who were 9-repeat carriers and 23 who were 10-repeat homozygotes). Regional brain activation during word generation relative to repetition in an overt verbal fluency task measured by functional magnetic resonance imaging. Main effects of genotype and diagnosis on activation and their interaction were estimated with analysis of variance in SPM5. Irrespective of diagnosis, the 10-repeat allele was associated with greater activation than the 9-repeat allele in the left anterior insula and right caudate nucleus. Trends for the same effect in the right insula and for greater deactivation in the rostral anterior cingulate cortex were also detected. There were diagnosis x genotype interactions in the left middle frontal gyrus and left nucleus accumbens, where the 9-repeat allele was associated with greater activation than the 10-repeat allele in patients but not controls. Insular, cingulate, and striatal function during an executive task is normally modulated by variation in the dopamine transporter gene. Its effect on activation in the dorsolateral prefrontal cortex and ventral striatum is altered in patients with schizophrenia

Germany: Exposure of Transport Workers During the Transport of Most Frequently Transported NORM in Germany

International Nuclear Information System (INIS)

2013-01-01

The German national report to this CRP was focused on the following services according to the research agreement: (1) Status review, analysis and evaluation of the radiation exposure imposed by shipment and expected exposure of the shipment staff of the most relevant NORM in Germany; (2) Development of evaluation criteria and safety requirements to provide adequate safety standards for the transportation of NORM; (3) Development and application of procedures to determine the limits for exempt materials/consignments for transportation according to German Transport Regulations for all NORM. For the analysis and evaluation of the radiation exposure imposed by shipment of NORM for the following materials, a couple of transport scenarios were defined and the dose to transport workers was calculated. - Tantalum raw materials; - Raw phosphate; - Pipe scales and sludge from oil and gas exploitation; - Coal ash; - Waste rock material from uranium mining; - Zircon raw materials; - Titanium dioxide raw materials; - Filter gravel from waterworks

SNPs altering ammonium transport activity of human Rhesus factors characterized by a yeast-based functional assay.

Directory of Open Access Journals (Sweden)

Aude Deschuyteneer

Full Text Available Proteins of the conserved Mep-Amt-Rh family, including mammalian Rhesus factors, mediate transmembrane ammonium transport. Ammonium is an important nitrogen source for the biosynthesis of amino acids but is also a metabolic waste product. Its disposal in urine plays a critical role in the regulation of the acid/base homeostasis, especially with an acid diet, a trait of Western countries. Ammonium accumulation above a certain concentration is however pathologic, the cytotoxicity causing fatal cerebral paralysis in acute cases. Alteration in ammonium transport via human Rh proteins could have clinical outcomes. We used a yeast-based expression assay to characterize human Rh variants resulting from non synonymous single nucleotide polymorphisms (nsSNPs with known or unknown clinical phenotypes and assessed their ammonium transport efficiency, protein level, localization and potential trans-dominant impact. The HsRhAG variants (I61R, F65S associated to overhydrated hereditary stomatocytosis (OHSt, a disease affecting erythrocytes, proved affected in intrinsic bidirectional ammonium transport. Moreover, this study reveals that the R202C variant of HsRhCG, the orthologue of mouse MmRhcg required for optimal urinary ammonium excretion and blood pH control, shows an impaired inherent ammonium transport activity. Urinary ammonium excretion was RHcg gene-dose dependent in mouse, highlighting MmRhcg as a limiting factor. HsRhCG(R202C may confer susceptibility to disorders leading to metabolic acidosis for instance. Finally, the analogous R211C mutation in the yeast ScMep2 homologue also impaired intrinsic activity consistent with a conserved functional role of the preserved arginine residue. The yeast expression assay used here constitutes an inexpensive, fast and easy tool to screen nsSNPs reported by high throughput sequencing or individual cases for functional alterations in Rh factors revealing potential causal variants.

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

Dual continuum models of fully coupled non-isothermal multiphase flow and reactive transport in porous media

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

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2013-05-16

..., President, Application Type: QI Change Contract Logistics, LLC (NVO), 4911 North Portland Avenue, Suite 200..., Application Type: Add Trade Name Smart Lines Worldwide Feiliks Global Logistics Corporation (NVO), 176-20 S..., Director, Application Type: QI Change Intermodal Tank Transport (USA), Inc. (NVO), 2537 S. Gessner, Suite...

Centennial-scale human alterations, unintended natural-system responses, and event-driven mitigation within a coupled fluvial-coastal system: Lessons for collective management and long-term coastal change planning

Science.gov (United States)

Hein, C. J.; Hoagland, P.; Huang, J. C.; Canuel, E. A.; Fitzsimons, G.; Rosen, P.; Shi, W.; Fallon, A. R.; Shawler, J. L.

2017-12-01

On decadal to millennial timescales, human modifications of linked riparian and coastal landscapes have altered the natural transport of sediments to the coast, causing time-varying sediment fluxes to estuaries, wetlands, and beaches. This study explored the role of historical changes in land use and river/coastal engineering on patterns of coastal erosion in the coupled system comprising the Merrimack River and the Plum Island barrier beach (northern Massachusetts, USA). Recreational values of the beach, attendant impacts on the local housing market, human perceptions of future beach utilization, and collective management options were investigated. Key historical changes included the installation of dams to benefit industry and control flooding in the early 19th century; river-mouth jetties to maintain navigation and allow for the residential development of a more stable barrier in the early 20th century; and the progressive hardening of the shoreline in response to multi-decadal cyclical erosion and house losses throughout the latter 20th and 21st centuries. The tools of sedimentology, shoreline-change analysis, historic documentation, population surveys, and economic modeling were used to examine these changes and the dynamic linked responses of the natural system and human populations. We found cascading effects of human alterations to the river that changed sediment fluxes to the coastal zone, driving a need for mitigation over centennial timescales. More recently, multidecadal erosion-accretion cycles of the beach have had little impact on the housing market, which is instead more responsive to public shoreline stabilization efforts in response to short-term (sustainable management of coupled fluvial-coastal systems.

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

Coupled effects of solution chemistry and hydrodynamics on the mobility and transport of quantum dot nanomaterials in the Vadose Zone

Science.gov (United States)

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...

A Criterion for Stability of Synchronization and Application to Coupled Chua's Systems

International Nuclear Information System (INIS)

Wang Haixia; Lu Qishao; Wang Qingyun

2009-01-01

We investigate synchronization in an array network of nearest-neighbor coupled chaotic oscillators. By using of the Lyapunov stability theory and matrix theory, a criterion for stability of complete synchronization is deduced. Meanwhile, an estimate of the critical coupling strength is obtained to ensure achieving chaos synchronization. As an example application, a model of coupled Chua's circuits with linearly bidirectional coupling is studied to verify the validity of the criterion. (general)

Coupling of WRF and Building-resolved CFD Simulations for Greenhouse Gas Transport and Dispersion

Science.gov (United States)

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

Antagonist effects of calcium on borosilicate glass alteration

Energy Technology Data Exchange (ETDEWEB)

Mercado-Depierre, S. [CEA Marcoule, DTCD SPDE LCLT, 30207 Bagnols sur Cèze (France); Angeli, F., E-mail: frederic.angeli@cea.fr [CEA Marcoule, DTCD SPDE LCLT, 30207 Bagnols sur Cèze (France); Frizon, F. [CEA Marcoule, DTCD SECM LP2C, 30207 Bagnols sur Cèze (France); Gin, S. [CEA Marcoule, DTCD SPDE LCLT, 30207 Bagnols sur Cèze (France)

2013-10-15

Graphical abstract: Display Omitted -- Highlights: •Kinetic study of glass alteration is investigated in calcium-enriched solutions. •New insights into silicon–calcium interactions in glass/cement systems are proposed. •Glass alteration is controlled by pH, Ca concentration and reaction progress. •Evidence of antagonist effects according to the importance of these parameters. -- Abstract: Numerous studies have been conducted on glass and cement durability in contact with water, but very little work to date has focused directly on interactions between the two materials. These interactions are mostly controlled by silicon–calcium reactivity. However, the physical and chemical processes involved remain insufficiently understood to predict the evolution of coupled glass–cement systems used in several industrial applications. Results are reported from borosilicate glass alteration in calcium-rich solutions. Our data show that four distinct behaviors can be expected according to the relative importance of three key parameters: the pH, the reaction progress (short- or long-term alteration) and the calcium concentration. Glass alteration is thus controlled by specific mechanisms depending on the solution chemistry: calcium complexation at the glass surface, precipitation of calcium silicate hydrates (C–S–H) or calcium incorporation in the altered layer. These findings highlight the impact of silicon–calcium interactions on glass durability and open the way for a better understanding of glass–cement mixing in civil engineering applications as well as in nuclear waste storage.

Antagonist effects of calcium on borosilicate glass alteration

International Nuclear Information System (INIS)

Mercado-Depierre, S.; Angeli, F.; Frizon, F.; Gin, S.

2013-01-01

Graphical abstract: Display Omitted -- Highlights: •Kinetic study of glass alteration is investigated in calcium-enriched solutions. •New insights into silicon–calcium interactions in glass/cement systems are proposed. •Glass alteration is controlled by pH, Ca concentration and reaction progress. •Evidence of antagonist effects according to the importance of these parameters. -- Abstract: Numerous studies have been conducted on glass and cement durability in contact with water, but very little work to date has focused directly on interactions between the two materials. These interactions are mostly controlled by silicon–calcium reactivity. However, the physical and chemical processes involved remain insufficiently understood to predict the evolution of coupled glass–cement systems used in several industrial applications. Results are reported from borosilicate glass alteration in calcium-rich solutions. Our data show that four distinct behaviors can be expected according to the relative importance of three key parameters: the pH, the reaction progress (short- or long-term alteration) and the calcium concentration. Glass alteration is thus controlled by specific mechanisms depending on the solution chemistry: calcium complexation at the glass surface, precipitation of calcium silicate hydrates (C–S–H) or calcium incorporation in the altered layer. These findings highlight the impact of silicon–calcium interactions on glass durability and open the way for a better understanding of glass–cement mixing in civil engineering applications as well as in nuclear waste storage

Coupled Modeling of Rhizosphere and Reactive Transport Processes

Science.gov (United States)

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.

An incident flux expansion transport theory method suitable for coupling to diffusion theory methods in hexagonal geometry

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

Sodium-coupled neutral amino acid (System N/A) transporters of the SLC38 gene family.

Science.gov (United States)

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.

Alterations in rotation thromboelastometry (ROTEM®) parameters: point-of-care testing vs analysis after pneumatic tube system transport.

Science.gov (United States)

Martin, J; Schuster, T; Moessmer, G; Kochs, E F; Wagner, K J

2012-10-01

Thromboelastometry as point-of-care (POC) testing enables the analysis of the clotting process at the bedside, providing rapid results to guide haemostatic therapy. However, POC testing utilizes medical staff who are managing critically ill patients, as non-laboratory personnel may not be sufficiently trained to run the devices. To resolve these problems, thromboelastometry can be performed in the central laboratory and rapid transport of samples can be accomplished via a pneumatic tube system (PTS). This study compares thromboelastometry parameters of blood samples analysed immediately with those analysed after PTS transport. In patients with normal haemostasis, two arterial blood samples were collected from each patient (n=92) in citrated plastic tubes to investigate the assays INTEM (n=35), EXTEM (n=27), and FIBTEM (n=30). One blood sample was analysed immediately, the other sample after PTS transport. Thromboelastometry was performed using a single ROTEM(®) device. The mean clot firmness values were significantly lower for PTS samples in both the INTEM (-0.7 mm cf. -1.1 mm) and EXTEM (-1.4 cf. -1.7 mm) assays. INTEM coagulation time (CT) was significantly lower in PTS samples with a mean difference of -13 s. EXTEM CT was significantly higher in PTS samples with a mean difference of +3.9 s. Thromboelastometry parameters of blood samples analysed after PTS transport are significantly altered compared with those analysed immediately. However, in patients with normal haemostasis, the alterations were small and without clinical consequence, implying that analysis after PTS transport is an acceptable alternative to prompt analysis at the bedside. Further studies should focus on patients with impaired haemostasis.

Rural public transportation technologies : user needs and applications : final report

Science.gov (United States)

1998-07-01

The Rural Public Transportation Technologies: User Needs and Applications study was conducted as part of the U.S. Department of Transportations (DOT) overall Rural Intelligent Transportation System (ITS) Program. The study examined the opportuniti...

Rural Public Transportation Technologies: User Needs and Applications. Executive Summary

Science.gov (United States)

1998-07-01

The Rural Public Transportation Technologies: User Needs and Applications study was conducted as part of the U.S. Department of Transportation's (DOT) overall Rural Intelligent Transportation System (ITS) Program. The study examined the opportunities...

Bright solitons in coupled defocusing NLS equation supported by coupling: Application to Bose-Einstein condensation

International Nuclear Information System (INIS)

Adhikari, Sadhan K.

2005-01-01

We demonstrate the formation of bright solitons in coupled self-defocusing nonlinear Schroedinger (NLS) equation supported by attractive coupling. As an application we use a time-dependent dynamical mean-field model to study the formation of stable bright solitons in two-component repulsive Bose-Einstein condensates (BECs) supported by interspecies attraction in a quasi one-dimensional geometry. When all interactions are repulsive, there cannot be bright solitons. However, bright solitons can be formed in two-component repulsive BECs for a sufficiently attractive interspecies interaction, which induces an attractive effective interaction among bosons of same type

Activity-Based Costing Application in an Urban Mass Transport Company

Directory of Open Access Journals (Sweden)

Popesko Boris

2011-12-01

Full Text Available The purpose of this paper is to provide a basic overview of the application of Activity-Based Costing in an urban mass transport company which operates land public transport via buses and trolleys within the city. The case study was conducted using the Activity-Based Methodology in order to calculate the true cost of individual operations and to measure the profitability of particular transport lines. The case study analysis showed the possible effects of the application of the Activity-Based Costing for an urban mass transport company as well as the limitations of using the ABC methodology in the service industry. With regards to the application of the ABC methodology, the primary limitation of the accuracy of the conclusions is the quality of the non-financial information which had to be gathered throughout the implementation process. A basic limitation of the accurate data acquisition is the nature of the fare system of the transport company which does not allow the identification of the route that is taken by an individual passenger. The study illustrates the technique of ABC in urban mass transport and provides a real company example of information outputs of the ABC system. The users indicated that, the ABC model is very useful for profitability reporting and profit management. Also, the paper shows specific application of the Activity-Based Methodology in conditions of urban mass transport companies with regional specifics.

Coupled incompressible Smoothed Particle Hydrodynamics model for continuum-based modelling sediment transport

Science.gov (United States)

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.

Transmutation approximations for the application of hybrid Monte Carlo/deterministic neutron transport to shutdown dose rate analysis

International Nuclear Information System (INIS)

Biondo, Elliott D.; Wilson, Paul P. H.

2017-01-01

In fusion energy systems (FES) neutrons born from burning plasma activate system components. The photon dose rate after shutdown from resulting radionuclides must be quantified. This shutdown dose rate (SDR) is calculated by coupling neutron transport, activation analysis, and photon transport. The size, complexity, and attenuating configuration of FES motivate the use of hybrid Monte Carlo (MC)/deterministic neutron transport. The Multi-Step Consistent Adjoint Driven Importance Sampling (MS-CADIS) method can be used to optimize MC neutron transport for coupled multiphysics problems, including SDR analysis, using deterministic estimates of adjoint flux distributions. When used for SDR analysis, MS-CADIS requires the formulation of an adjoint neutron source that approximates the transmutation process. In this work, transmutation approximations are used to derive a solution for this adjoint neutron source. It is shown that these approximations are reasonably met for typical FES neutron spectra and materials over a range of irradiation scenarios. When these approximations are met, the Groupwise Transmutation (GT)-CADIS method, proposed here, can be used effectively. GT-CADIS is an implementation of the MS-CADIS method for SDR analysis that uses a series of single-energy-group irradiations to calculate the adjoint neutron source. For a simple SDR problem, GT-CADIS provides speedups of 200 100 relative to global variance reduction with the Forward-Weighted (FW)-CADIS method and 9 _± 5 • _1_0_"_4 relative to analog. As a result, this work shows that GT-CADIS is broadly applicable to FES problems and will significantly reduce the computational resources necessary for SDR analysis.

Water-transporting proteins

DEFF Research Database (Denmark)

Zeuthen, Thomas

2010-01-01

. In the K(+)/Cl(-) and the Na(+)/K(+)/2Cl(-) cotransporters, water is entirely cotransported, while water transport in glucose uniporters and Na(+)-coupled transporters of nutrients and neurotransmitters takes place by both osmosis and cotransport. The molecular mechanism behind cotransport of water...... transport. Epithelial water transport is energized by the movements of ions, but how the coupling takes place is uncertain. All epithelia can transport water uphill against an osmotic gradient, which is hard to explain by simple osmosis. Furthermore, genetic removal of aquaporins has not given support...... to osmosis as the exclusive mode of transport. Water cotransport can explain the coupling between ion and water transport, a major fraction of transepithelial water transport and uphill water transport. Aquaporins enhance water transport by utilizing osmotic gradients and cause the osmolarity...

The involvement of altered vesicle transport in redistribution of Ca2+, Mg2+-ATPase in cholestatic rat liver

NARCIS (Netherlands)

Song, J. Y.; van Noorden, C. J.; Frederiks, W. M.

1998-01-01

Vectorial sorting of plasma membrane protein-containing vesicles is essential for the establishment and maintenance of cell polarity. In the present study, the involvement of altered vesicle transport in the redistribution of membrane-bound Ca2+, Mg2+-ATPase resulting from cholestasis was

Multigroup and coupled forward-adjoint Monte Carlo calculation efficiencies for secondary neutron doses from proton beams

International Nuclear Information System (INIS)

Kelsey IV, Charles T.; Prinja, Anil K.

2011-01-01

We evaluate the Monte Carlo calculation efficiency for multigroup transport relative to continuous energy transport using the MCNPX code system to evaluate secondary neutron doses from a proton beam. We consider both fully forward simulation and application of a midway forward adjoint coupling method to the problem. Previously we developed tools for building coupled multigroup proton/neutron cross section libraries and showed consistent results for continuous energy and multigroup proton/neutron transport calculations. We observed that forward multigroup transport could be more efficient than continuous energy. Here we quantify solution efficiency differences for a secondary radiation dose problem characteristic of proton beam therapy problems. We begin by comparing figures of merit for forward multigroup and continuous energy MCNPX transport and find that multigroup is 30 times more efficient. Next we evaluate efficiency gains for coupling out-of-beam adjoint solutions with forward in-beam solutions. We use a variation of a midway forward-adjoint coupling method developed by others for neutral particle transport. Our implementation makes use of the surface source feature in MCNPX and we use spherical harmonic expansions for coupling in angle rather than solid angle binning. The adjoint out-of-beam transport for organs of concern in a phantom or patient can be coupled with numerous forward, continuous energy or multigroup, in-beam perturbations of a therapy beam line configuration. Out-of-beam dose solutions are provided without repeating out-of-beam transport. (author)

Transport in semiconductor nanowire superlattices described by coupled quantum mechanical and kinetic models.

Science.gov (United States)

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.

Self-organized criticality revisited: non-local transport by turbulent amplification

DEFF Research Database (Denmark)

Milovanov, Alexander V.; Rasmussen, Jens Juul

2015-01-01

We revise the applications of self-organized criticality (SOC) as a paradigmatic model for tokamak plasma turbulence. The work, presented here, is built around the idea that some systems do not develop a pure critical state associable with SOC, since their dynamical evolution involves as a compet......We revise the applications of self-organized criticality (SOC) as a paradigmatic model for tokamak plasma turbulence. The work, presented here, is built around the idea that some systems do not develop a pure critical state associable with SOC, since their dynamical evolution involves...... as a competing key factor an inverse cascade of the energy in reciprocal space. Then relaxation of slowly increasing stresses will give rise to intermittent bursts of transport in real space and outstanding transport events beyond the range of applicability of the 'conventional' SOC. Also, we are concerned...... with the causes and origins of non-local transport in magnetized plasma, and show that this type of transport occurs naturally in self-consistent strong turbulence via a complexity coupling to the inverse cascade. We expect these coupling phenomena to occur in the parameter range of strong nonlinearity and time...

Parallel Algorithms and Software for Nuclear, Energy, and Environmental Applications Part I: Multiphysics Algorithms

International Nuclear Information System (INIS)

Gaston, Derek; Guo, Luanjing; Hansen, Glen; Huang, Hai; Johnson, Richard; Park, HyeongKae; Podgorney, Robert; Tonks, Michael; Williamson, Richard

2012-01-01

There is a growing trend within energy and environmental simulation to consider tightly coupled solutions to multiphysics problems. This can be seen in nuclear reactor analysis where analysts are interested in coupled flow, heat transfer and neutronics, and in nuclear fuel performance simulation where analysts are interested in thermomechanics with contact coupled to species transport and chemistry. In energy and environmental applications, energy extraction involves geomechanics, flow through porous media and fractured formations, adding heat transport for enhanced oil recovery and geothermal applications, and adding reactive transport in the case of applications modeling the underground flow of contaminants. These more ambitious simulations usually motivate some level of parallel computing. Many of the physics coupling efforts to date utilize simple code coupling or first-order operator splitting, often referred to as loose coupling. While these approaches can produce answers, they usually leave questions of accuracy and stability unanswered. Additionally, the different physics often reside on distinct meshes and data are coupled via simple interpolation, again leaving open questions of stability and accuracy.

Norepinephrine-induced alteration in the coupling of α1-adrenergic receptor occupancy to calcium efflux in rabbit aortic smooth muscle cells

International Nuclear Information System (INIS)

Colucci, W.S.; Alexander, R.W.

1986-01-01

To determine whether α-adrenergic desensitization of vascular smooth muscle is due to an alteration in α 1 -adrenergic receptor coupling, the authors determined the relationship between receptor occupancy and maximal receptor-coupled Ca 2+ efflux in cultured rabbit aortic smooth muscle cells (i) under basal conditions as defined by receptor inactivation with phenoxybenzamine and (ii) after 48 hr of exposure to several concentrations of 1-norepinephrine (NE). Neither phenoxybenzamine nor NE exposure caused a change in binding affinity for [ 3 H]prazosin or NE. Maximal [ 3 H]prazosin binding capacity and maximal NE-stimulated 45 Ca 2+ efflux decreased progressively with exposure of incubated cells to increasing concentrations of phenoxybenzamine or NE. An approximately 80% decrease in maximal [ 3 H]prazosin binding capacity caused by either phenoxybenzamine or NE resulted in complete loss of NE-stimulated 45 Ca 2+ efflux, indicating that under these conditions approximately 20% of α 1 -adrenergic receptors are not coupled to the Ca 2+ efflux. Under basal conditions, the relationship between maximal [ 3 H]prazosin binding capacity and maximal NE-stimulated 45 Ca 2+ efflux was markedly nonlinear, so that a near maximal response could be elicited by occupancy of only approximately 40% of the receptors. Thus, an alteration in occupancy-response coupling at a step proximal to Ca 2+ mobilization and/or influx, rather than a reduction in receptor number, is of primary importance in the process of agonist-induced α-adrenergic receptor desensitization of vascular smooth muscle cells

Transportation Education and Outreach Pilot Program Targeting Students in Grades K-12. Final Report.

Science.gov (United States)

Kuhn, Beverly T.

The transportation engineering profession faces a challenging future in the 21st century. Over the past decade, advances in transportation and technology applications have altered and expanded the list of knowledge, skills, and abilities that transportation professionals must have. The end result is a rapidly changing industry that needs qualified…

Discrete and continuum links to a nonlinear coupled transport problem of interacting populations

Science.gov (United States)

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.

Quantum transport through organic molecules

International Nuclear Information System (INIS)

Maiti, Santanu K.

2007-01-01

We investigate the electronic transport for the model of benzene-1, 4-dithiolate (BDT) molecule and some other geometric models of benzene molecule attached with two semi-infinite metallic electrodes by the use of Green's function technique. An analytic approach for the electronic transport through the molecular bridges is presented, based on the tight-binding model. Transport of electrons in such molecular bridges is strongly affected by the geometry of the molecules and their coupling strength with the electrodes. Conductance (g) shows resonance peaks associated with the molecular energy eigenstates. In the weak molecule-to-electrodes coupling limit current (I) passing through the molecules shows staircase-like behavior with sharp steps, while, it varies quite continuously in the limit of strong molecular coupling with the applied bias voltage (V). In presence of the transverse magnetic field conductance gives oscillatory behavior with flux φ, threaded by the molecular ring, showing φ 0 ( = ch/e) flux-quantum periodicity. Though conductance changes with the application of transverse magnetic field, but the current-voltage characteristics remain same in presence of this magnetic field for these molecular bridge systems

Laminin-332 alters connexin profile, dye coupling and intercellular Ca2+ waves in ciliated tracheal epithelial cells

Directory of Open Access Journals (Sweden)

Olsen Colin E

2006-08-01

Full Text Available Abstract Background Tracheal epithelial cells are anchored to a dynamic basement membrane that contains a variety of extracellular matrix proteins including collagens and laminins. During development, wound repair and disease of the airway epithelium, significant changes in extracellular matrix proteins may directly affect cell migration, differentiation and events mediated by intercellular communication. We hypothesized that alterations in cell matrix, specifically type I collagen and laminin α3β3γ2 (LM-332 proteins within the matrix, directly affect intercellular communication in ciliated rabbit tracheal epithelial cells (RTEC. Methods Functional coupling of RTEC was monitored by microinjection of the negatively charged fluorescent dyes, Lucifer Yellow and Alexa 350, into ciliated RTEC grown on either a LM-332/collagen or collagen matrix. Coupling of physiologically significant molecules was evaluated by the mechanism and extent of propagated intercellular Ca2+ waves. Expression of connexin (Cx mRNA and proteins were assayed by reverse transcriptase – polymerase chain reaction and immunocytochemistry, respectively. Results When compared to RTEC grown on collagen alone, RTEC grown on LM-332/collagen displayed a significant increase in dye transfer. Although mechanical stimulation of RTEC grown on either LM-332/collagen or collagen alone resulted in intercellular Ca2+ waves, the mechanism of transfer was dependent on matrix: RTEC grown on LM-332/collagen propagated Ca2+waves via extracellular purinergic signaling whereas RTEC grown on collagen used gap junctions. Comparison of RTEC grown on collagen or LM-332/collagen matrices revealed a reorganization of Cx26, Cx43 and Cx46 proteins. Conclusion Alterations in airway basement membrane proteins such as LM-332 can induce connexin reorganizations and result in altered cellular communication mechanisms that could contribute to airway tissue function.

Sandia Transportation Technical Environmental Information Center and its application to transportation risk analyses

International Nuclear Information System (INIS)

Foley, J.T.; Davidson, C.A.; McClure, J.D.

1978-01-01

Purpose of this paper is to describe an applied research activity which is fundamental to the conduct of transportation analyses: the collection, analysis, storage, and retrieval of information on the intensities of technical environments. This paper describes the collection system which provides such a service to official researchers in transportation analysis and the applications of this information in the area of risk analysis

Desulfurization Sorbents for Transport-Bed Applications

International Nuclear Information System (INIS)

Gupta, Raghubir P.; Turk, Brian S.; Vierheilig, Albert A.

1997-01-01

This project extends the prior work on the development of fluidizable zinc titanate particles using a spray-drying technique to impart high reactivity and attrition resistance. The specific objectives are: (1) To develop highly reactive and attrition-resistant zinc titanate sorbents in 40- to 150-(micro)m particle size range for transport reactor applications; (2) To transfer sorbent production technology to private sector; and (3) To provide technical support to Sierra Pacific Clean Coal Technology Demonstration plant and FETC's Hot-Gas Desulfurization Process Development Unit (PDU), both employing a transport reactor system

Inactivation of the Ecs ABC transporter of Staphylococcus aureus attenuates virulence by altering composition and function of bacterial wall.

Directory of Open Access Journals (Sweden)

Ing-Marie Jonsson

2010-12-01

Full Text Available Ecs is an ATP-binding cassette (ABC transporter present in aerobic and facultative anaerobic gram-positive Firmicutes. Inactivation of Bacillus subtilis Ecs causes pleiotropic changes in the bacterial phenotype including inhibition of intramembrane proteolysis. The molecule(s transported by Ecs is (are still unknown.In this study we mutated the ecsAB operon in two Staphylococcus aureus strains, Newman and LS-1. Phenotypic and functional characterization of these Ecs deficient mutants revealed a defect in growth, increased autolysis and lysostaphin sensitivity, altered composition of cell wall proteins including the precursor form of staphylokinase and an altered bacterial surface texture. DNA microarray analysis indicated that the Ecs deficiency changed expression of the virulence factor regulator protein Rot accompanied by differential expression of membrane transport proteins, particularly ABC transporters and phosphate-specific transport systems, protein A, adhesins and capsular polysaccharide biosynthesis proteins. Virulence of the ecs mutants was studied in a mouse model of hematogenous S. aureus infection. Mice inoculated with the ecs mutant strains developed markedly milder infections than those inoculated with the wild-type strains and had consequently lower mortality, less weight loss, milder arthritis and decreased persistence of staphylococci in the kidneys. The ecs mutants had higher susceptibility to ribosomal antibiotics and plant alkaloids chelerythrine and sanguinarine.Our results show that Ecs is essential for staphylococcal virulence and antimicrobial resistance probably since the transport function of Ecs is essential for the normal structure and function of the cell wall. Thus targeting Ecs may be a new approach in combating staphylococcal infection.

Inactivation of the Ecs ABC transporter of Staphylococcus aureus attenuates virulence by altering composition and function of bacterial wall.

Science.gov (United States)

Jonsson, Ing-Marie; Juuti, Jarmo T; François, Patrice; AlMajidi, Rana; Pietiäinen, Milla; Girard, Myriam; Lindholm, Catharina; Saller, Manfred J; Driessen, Arnold J M; Kuusela, Pentti; Bokarewa, Maria; Schrenzel, Jacques; Kontinen, Vesa P

2010-12-02

Ecs is an ATP-binding cassette (ABC) transporter present in aerobic and facultative anaerobic gram-positive Firmicutes. Inactivation of Bacillus subtilis Ecs causes pleiotropic changes in the bacterial phenotype including inhibition of intramembrane proteolysis. The molecule(s) transported by Ecs is (are) still unknown. In this study we mutated the ecsAB operon in two Staphylococcus aureus strains, Newman and LS-1. Phenotypic and functional characterization of these Ecs deficient mutants revealed a defect in growth, increased autolysis and lysostaphin sensitivity, altered composition of cell wall proteins including the precursor form of staphylokinase and an altered bacterial surface texture. DNA microarray analysis indicated that the Ecs deficiency changed expression of the virulence factor regulator protein Rot accompanied by differential expression of membrane transport proteins, particularly ABC transporters and phosphate-specific transport systems, protein A, adhesins and capsular polysaccharide biosynthesis proteins. Virulence of the ecs mutants was studied in a mouse model of hematogenous S. aureus infection. Mice inoculated with the ecs mutant strains developed markedly milder infections than those inoculated with the wild-type strains and had consequently lower mortality, less weight loss, milder arthritis and decreased persistence of staphylococci in the kidneys. The ecs mutants had higher susceptibility to ribosomal antibiotics and plant alkaloids chelerythrine and sanguinarine. Our results show that Ecs is essential for staphylococcal virulence and antimicrobial resistance probably since the transport function of Ecs is essential for the normal structure and function of the cell wall. Thus targeting Ecs may be a new approach in combating staphylococcal infection.

Phase-coherent transport and spin-orbit-coupling in III/V-semiconductor nanowires; Phasenkohaerenter Transport und Spin-Bahn-Wechselwirkung in III/V-Halbleiternanodraehten

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

Coupled Vortex-Lattice Flight Dynamic Model with Aeroelastic Finite-Element Model of Flexible Wing Transport Aircraft with Variable Camber Continuous Trailing Edge Flap for Drag Reduction

Science.gov (United States)

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.

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

Electrical and thermal transport in the quasiatomic limit of coupled Luttinger liquids

Science.gov (United States)

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.

BALTORO a general purpose code for coupling discrete ordinates and Monte-Carlo radiation transport calculations

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)

Emergent behavior in a coupled economic and coastline model for beach nourishment

Directory of Open Access Journals (Sweden)

E. D. Lazarus

2011-12-01

Full Text Available Developed coastal areas often exhibit a strong systemic coupling between shoreline dynamics and economic dynamics. "Beach nourishment", a common erosion-control practice, involves mechanically depositing sediment from outside the local littoral system onto an actively eroding shoreline to alter shoreline morphology. Natural sediment-transport processes quickly rework the newly engineered beach, causing further changes to the shoreline that in turn affect subsequent beach-nourishment decisions. To the limited extent that this landscape/economic coupling has been considered, evidence suggests that towns tend to employ spatially myopic economic strategies under which individual towns make isolated decisions that do not account for their neighbors. What happens when an optimization strategy that explicitly ignores spatial interactions is incorporated into a physical model that is spatially dynamic? The long-term attractor that develops for the coupled system (the state and behavior to which the system evolves over time is unclear. We link an economic model, in which town-manager agents choose economically optimal beach-nourishment intervals according to past observations of their immediate shoreline, to a simplified coastal-dynamics model that includes alongshore sediment transport and background erosion (e.g. from sea-level rise. Simulations suggest that feedbacks between these human and natural coastal processes can generate emergent behaviors. When alongshore sediment transport and spatially myopic nourishment decisions are coupled, increases in the rate of sea-level rise can destabilize economically optimal nourishment practices into a regime characterized by the emergence of chaotic shoreline evolution.

Modeling reactive geochemical transport of concentrated aqueous solutions in variably saturated media

Energy Technology Data Exchange (ETDEWEB)

Zhang, Guoxiang; Zheng, Zuoping; Wan, Jiamin

2004-01-28

Concentrated aqueous solutions (CAS) have unique thermodynamic and physical properties. Chemical components in CAS are incompletely dissociated, especially those containing divalent or polyvalent ions. The problem is further complicated by the interaction between CAS flow processes and the naturally heterogeneous sediments. As the CAS migrates through the porous media, the composition may be altered subject to fluid-rock interactions. To effectively model reactive transport of CAS, we must take into account ion-interaction. A combination of the Pitzer ion-interaction and the ion-association model would be an appropriate way to deal with multiple-component systems if the Pitzer' parameters and thermodynamic data of dissolved components and the related minerals are available. To quantify the complicated coupling of CAS flow and transport, as well as the involved chemical reactions in natural and engineered systems, we have substantially extended an existing reactive biogeochemical transport code, BIO-CORE{sup 2D}{copyright}, by incorporating a comprehensive Pitzer ion-interaction model. In the present paper, the model, and two test cases against measured data were briefly introduced. Finally we present an application to simulate a laboratory column experiment studying the leakage of the high alkaline waste fluid stored in Hanford (a site of the U.S. Department of Energy, located in Washington State, USA). With the Pitzer ion-interaction ionic activity model, our simulation captures measured pH evolution. The simulation indicates that all the reactions controlling the pH evolution, including cation exchanges, mineral precipitation and dissolution, are coupled.

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

Alteration of nuclear glass in contact with iron and claystone at 90 °C under anoxic conditions: Characterization of the alteration products after two years of interaction

International Nuclear Information System (INIS)

Schlegel, Michel L.; Martin, Christelle; Brucker, Florence; Bataillon, Christian; Blanc, Cécile; Chorro, Matthieu; Jollivet, Patrick

2016-01-01

The present study investigates the alteration of a fractured glass block in contact with iron and Callovo-Oxfordian claystone at 90 °C under anoxic and water-saturated conditions. The alteration rates and the nature of glass alteration products at the different compact interfaces (glass-clay, glass-iron) and in cracks were assessed by solution chemistry and microscopic-scale techniques (scanning electron microscopy coupled with energy-dispersive X-ray microscopy, microRaman spectroscopy, and X-ray absorption fine structure spectroscopy). A significant but modest (two-fold) increase in glass alteration in contact with steel was observed, leading to an average alteration rate over the experiment of about 0.007–0.014 g/m"2/d. This rate is significantly lower than forward rate r_0 in clay-equilibrated groundwater (1.7 g/m"2/d), indicating that a decrease of the alteration rate was not hindered by the steel presence. The corrosion–alteration interface was made up of successive layers of corrosion products in contact with iron, a layer of Fe silicates, and an altered glass layer enriched in Fe. Characterization of the glass block in direct contact with claystone revealed that the thickness of altered glass was much more important than at the glass-iron interface. The altered glass layer in contact with clay was slightly enriched in Fe and Mg, and depleted in alkali cations. Altered glass layers in cracks were usually limited to fringes thinner than 2 μm, with a thickness decreasing from the crack mouth, indicating that alteration is controlled by transport in the cracks. The fractures were partially filled with calcite and lanthanide hydroxocarbonate precipitates. These results contribute to the understanding of nuclear vitrified waste-iron-corrosion products interactions in a deep geological repository. - Highlights: • Anoxic alteration of glass in contact with iron and clay at 90 °C for two-years. • Alteration rates of 0.015 and 0.5 g/m"2/d at glass

Description of a neutron field perturbed by a probe using coupled Monte Carlo and discrete ordinates radiation transport calculations

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

Modelling reactive material transport in the near field of a repository for radioactive waste. Coupling the EMOS near field modules CLAYPOS and LOPOS with thermodynamic equilibrium calculations

International Nuclear Information System (INIS)

Moog, H.C.; Keesmann, S.M.

2007-02-01

This paper reports on the project ''Coupling transport models with thermodynamic equilibrium calculations'' - short title EQLINK, promotion code number 02 E 9723 - in the which the scope for coupling thermodynamic equilibrium model calculations with EMOS was expanded and improved. The first step was to inquire into the current state of research on radiolytic processes. It transpired that there is currently no conclusive description of radiolytic processes. The existing descriptions are too complex and too narrowly geared to specific scenarios to allow a general view on radiolytic processes, which would be a prerequisite for creating suitable long-term geochemical safety analysis modules. It appears that the approximation calculations implemented in EMOS tend to overestimate rather than underestimate radiolytic gas formation. The thermodynamic database which is used at GRS (Society for Plant and Reactor Safety) as a basis for coupled transport calculations has been updated. For this purpose the radionuclide database of the Institut fuer Nukleare Entsorgung (INE = Institute for Nuclear Disposal) was converted to an in-house format which permits creating parameter files for specific requirements. The data of the INE comprise thermodynamic parameters such as equilibrium constants, Gibbs free enthalpies of formation, enthalpies and entropies of formation and Pitzer parameters, which are required for model calculations on high-saline solutions. The database for low-saline solutions which had been developed by PSI/NAGRA for calculations with CLAYPOS was also adopted. Both parameter sets were subjected to test calculations to detect any errors that might have occurred during the data transfer. It is thus now possible to perform coupled transport calculations with the EMOS modules LOPOS and CLAYPOS according to the state of the art of geochemical research. The EQLINK interface which had been developed in an earlier project, titled ''Development of a model for describing the

Hydrology and phosphorus transport simulation in a lowland polder by a coupled modeling system.

Science.gov (United States)

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.

Assessment of applications of transport models on regional scale solute transport

Science.gov (United States)

Guo, Z.; Fogg, G. E.; Henri, C.; Pauloo, R.

2017-12-01

Regional scale transport models are needed to support the long-term evaluation of groundwater quality and to develop management strategies aiming to prevent serious groundwater degradation. The purpose of this study is to evaluate the capacity of previously-developed upscaling approaches to accurately describe main solute transport processes including the capture of late-time tails under changing boundary conditions. Advective-dispersive contaminant transport in a 3D heterogeneous domain was simulated and used as a reference solution. Equivalent transport under homogeneous flow conditions were then evaluated applying the Multi-Rate Mass Transfer (MRMT) model. The random walk particle tracking method was used for both heterogeneous and homogeneous-MRMT scenarios under steady state and transient conditions. The results indicate that the MRMT model can capture the tails satisfactorily for plume transported with ambient steady-state flow field. However, when boundary conditions change, the mass transfer model calibrated for transport under steady-state conditions cannot accurately reproduce the tailing effect observed for the heterogeneous scenario. The deteriorating impact of transient boundary conditions on the upscaled model is more significant for regions where flow fields are dramatically affected, highlighting the poor applicability of the MRMT approach for complex field settings. Accurately simulating mass in both mobile and immobile zones is critical to represent the transport process under transient flow conditions and will be the future focus of our study.

Self-consistency constraints on turbulent magnetic transport and relaxation in collisionless plasma

International Nuclear Information System (INIS)

Terry, P.W.; Diamond, P.H.; Hahm, T.S.

1985-10-01

Novel constraints on collisionless relaxation and transport in drift-Alfven turbulence are reported. These constraints arise due to the consideration of mode coupling and incoherent fluctuations and the proper application of self-consistency conditions. The result that electrostatic fluctuations alone regulate transport in drift-Alfven turbulence follows directly. Quasilinear transport predictions are discussed in light of these constraints

75 FR 6398 - Ocean Transportation Intermediary License Applicants

Science.gov (United States)

2010-02-09

... Forwarder Transportation Intermediary Applicants Best Way Logistics Corp., 901 SW. 98th Terrace, Pembroke..., Officers, Alessandro E. Bernardini, Sales Manager, (Qualifying Individual), Glenda Valdez, President... Intermediary Applicants (Cont'd): Vortex Worldwide Logistics Corp., 10125 NW. 116th Way, 10, Miami, FL 33178...

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

Science.gov (United States)

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.

Reactive transport modeling in the subsurface environment with OGS-IPhreeqc

Science.gov (United States)

He, Wenkui; Beyer, Christof; Fleckenstein, Jan; Jang, Eunseon; Kalbacher, Thomas; Naumov, Dimitri; Shao, Haibing; Wang, Wenqing; Kolditz, Olaf

2015-04-01

Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over

Particle Communication and Domain Neighbor Coupling: Scalable Domain Decomposed Algorithms for Monte Carlo Particle Transport

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 2²¹ = 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.

APPLICATION OF NFC TECHNOLOGY IN PASSENGER RAIL TRANSPORT

Directory of Open Access Journals (Sweden)

Henryk KOMSTA

2016-09-01

Full Text Available The article discusses the possibility of the application of the NFC technology as a system of selling tickets in passenger rail transport. The NFC (Near Field Communication technology is a wireless and contactless technology of transmission of radio data over short distances (max. 5 cm. This technology is very similar to the RFID (Radio Frequency Identification technology. It is assumed that this technology will spread rapidly and that already in 2015 around 85% of the payments in the EU will be made via mobile phones. This paper presents a research of passenger interest in this method of payment for tickets in the passenger rail transport in Slovakia. Further, an analysis of the applications of the NFC technology as a system of selling tickets in passenger rail transport, including the protection of data in mobile phones, the processes in case of losing a mobile phone and ensuring the communication between both parties was presented in the article. The last part of this analysis shows the possibility of purchasing tickets regardless of the carrier and the transport type.

Canada's Intelligent Transportation Systems (ITS) : deployment and integration plan : applicant's guide

Science.gov (United States)

2000-02-01

This document is the applicant's guide for proposing intelligent transportation systems projects to Transport Canada and details such matters as eligibility, Transport Canada's program objectives and assessment of projects

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)

The two Na+ sites in the human serotonin transporter play distinct roles in the ion coupling and electrogenicity of transport.

Science.gov (United States)

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.

The Two Na+ Sites in the Human Serotonin Transporter Play Distinct Roles in the Ion Coupling and Electrogenicity of Transport*

Science.gov (United States)

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

Reactor physics simulations with coupled Monte Carlo calculation and computational fluid dynamics

International Nuclear Information System (INIS)

Seker, V.; Thomas, J.W.; Downar, T.J.

2007-01-01

A computational code system based on coupling the Monte Carlo code MCNP5 and the Computational Fluid Dynamics (CFD) code STAR-CD was developed as an audit tool for lower order nuclear reactor calculations. This paper presents the methodology of the developed computer program 'McSTAR'. McSTAR is written in FORTRAN90 programming language and couples MCNP5 and the commercial CFD code STAR-CD. MCNP uses a continuous energy cross section library produced by the NJOY code system from the raw ENDF/B data. A major part of the work was to develop and implement methods to update the cross section library with the temperature distribution calculated by STARCD for every region. Three different methods were investigated and implemented in McSTAR. The user subroutines in STAR-CD are modified to read the power density data and assign them to the appropriate variables in the program and to write an output data file containing the temperature, density and indexing information to perform the mapping between MCNP and STAR-CD cells. Preliminary testing of the code was performed using a 3x3 PWR pin-cell problem. The preliminary results are compared with those obtained from a STAR-CD coupled calculation with the deterministic transport code DeCART. Good agreement in the k eff and the power profile was observed. Increased computational capabilities and improvements in computational methods have accelerated interest in high fidelity modeling of nuclear reactor cores during the last several years. High-fidelity has been achieved by utilizing full core neutron transport solutions for the neutronics calculation and computational fluid dynamics solutions for the thermal-hydraulics calculation. Previous researchers have reported the coupling of 3D deterministic neutron transport method to CFD and their application to practical reactor analysis problems. One of the principal motivations of the work here was to utilize Monte Carlo methods to validate the coupled deterministic neutron transport

Canonical formalism for coupled beam optics

International Nuclear Information System (INIS)

Kheifets, S.A.

1989-09-01

Beam optics of a lattice with an inter-plane coupling is treated using canonical Hamiltonian formalism. The method developed is equally applicable both to a circular (periodic) machine and to an open transport line. A solution of the equation of a particle motion (and correspondingly transfer matrix between two arbitrary points of the lattice) are described in terms of two amplitude functions (and their derivatives and corresponding phases of oscillations) and four coupling functions, defined by a solution of the system of the first-order nonlinear differential equations derived in the paper. Thus total number of independent parameters is equal to ten. 8 refs

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)

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)

R7T7 glass alteration mechanism in an aqueous closed system: understanding and modelling the long term alteration kinetic

International Nuclear Information System (INIS)

Chave, T.

2007-10-01

The long term alteration rate of the French R7T7 nuclear glass has been investigated since many years because it will define the overall resistance of the radionuclide containment matrix. Recent studies have shown that the final rate remains constant or is slightly decreasing with time. It never reaches zero. Though this residual rate is very low, only 5 nm per year at 50 C, it would be the dominant alteration phenomenon in a geological repository. Two mechanisms are suggested for explaining such behaviour: diffusion in solution of elements from glass through an amorphous altered layer and precipitation of neo-formed phases. The diffusion processes are in agreement with a solid state diffusion mechanism and can lead to secondary phase precipitation due to solution concentration increases. Observed phases are mainly phyllosilicates and zeolites, in specific conditions. Phyllosilicates are expected to maintain the residual kinetic rate whereas alteration resumption could be observed in presence of zeolites at very high pH or temperature (10.5 at 90 C or temperature above 150 C). Both diffusion and neo-formed phase precipitation have been investigated in order to better understand their impact on the residual alteration rate and have then been modelled by a calculation code, coupling chemistry and transport, in order to be able to better anticipate the long term behaviour of the glass R7T7 in an aqueous closed system. (author)

Communication: Biological applications of coupled-cluster frozen-density embedding

Science.gov (United States)

Heuser, Johannes; Höfener, Sebastian

2018-04-01

We report the implementation of the Laplace-transform scaled opposite-spin (LT-SOS) resolution-of-the-identity second-order approximate coupled-cluster singles and doubles (RICC2) combined with frozen-density embedding for excitation energies and molecular properties. In the present work, we furthermore employ the Hartree-Fock density for the interaction energy leading to a simplified Lagrangian which is linear in the Lagrangian multipliers. This approximation has the key advantage of a decoupling of the coupled-cluster amplitude and multipliers, leading also to a significant reduction in computation time. Using the new simplified Lagrangian in combination with efficient wavefunction models such as RICC2 or LT-SOS-RICC2 and density-functional theory (DFT) for the environment molecules (CC2-in-DFT) enables the efficient study of biological applications such as the rhodopsin and visual cone pigments using ab initio methods as routine applications.

The Development and Application of Reactive Transport Modeling Techniques to Study Radionuclide Migration at Yucca Mountain, NV

International Nuclear Information System (INIS)

Hari Selvi Viswanathan

1999-01-01

Yucca Mountain, Nevada has been chosen as a possible site for the first high level radioactive waste repository in the United States. As part of the site investigation studies, we need to make scientifically rigorous estimations of radionuclide migration in the event of a repository breach. Performance assessment models used to make these estimations are computationally intensive. We have developed two reactive transport modeling techniques to simulate radionuclide transport at Yucca Mountain: (1) the selective coupling approach applied to the convection-dispersion-reaction (CDR) model and (2) a reactive stream tube approach (RST). These models were designed to capture the important processes that influence radionuclide migration while being computationally efficient. The conventional method of modeling reactive transport models is to solve a coupled set of multi-dimensional partial differential equations for the relevant chemical components in the system. We have developed an iterative solution technique, denoted the selective coupling method, that represents a versatile alternative to traditional uncoupled iterative techniques and the filly coupled global implicit method. We show that selective coupling results in computational and memory savings relative to these approaches. We develop RST as an alternative to the CDR method for solving large two- or three-dimensional reactive transport simulations for cases in which one is interested in predicting the flux across a specific control plane. In the RST method, the multidimensional problem is reduced to a series of one-dimensional transport simulations along streamlines. The key assumption with RST is that mixing at the control plane approximates the transverse dispersion between streamlines. We compare the CDR and RST approaches for several scenarios that are relevant to the Yucca Mountain Project. For example, we apply the CDR and RST approaches to model an ongoing field experiment called the Unsaturated Zone

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2013-08-12

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INES scale: French application to radioactive material transport

International Nuclear Information System (INIS)

Sowinski, S.; Strawa, S.; Aguilar, J.

2004-01-01

After getting the control of radioactive material transport in June 1997, the French safety Authority (ASN) decided to apply the INES scale to transport events. DGSNR (Directorate General for Nuclear Safety and Radioprotection) requests that radioactive material package consignors declare any event occurring during transportation, and has introduced the use of the INES scale adapted to classify transport events in order to inform the public and to have feedback. This paper deals with DGSNR's feedback during the past seven years concerning the french application of the INES scale. Significant events that occurred during transportation are presented. The French experience was used by IAEA to develop a draft guide in 2002 and IAEA asked countries to use a new draft for a trial period in July 2004

Membrane topology of rat sodium-coupled neutral amino acid transporter 2 (SNAT2).

Science.gov (United States)

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.

Schisandra chinensis peptidoglycan-assisted transmembrane transport of lignans uniquely altered the pharmacokinetic and pharmacodynamic mechanisms in human HepG2 cell model.

Directory of Open Access Journals (Sweden)

Charng-Cherng Chyau

Full Text Available Schisandra chinensis (Turz Baill (S. chinensis (SC fruit is a hepatoprotective herb containing many lignans and a large amount of polysaccharides. A novel polysaccharide (called SC-2 was isolated from SC of MW 841 kDa, which exhibited a protein-to-polysaccharide ratio of 0.4089, and showed a characteristic FTIR spectrum of a peptidoglycan. Powder X-ray diffraction revealed microcrystalline structures within SC-2. SC-2 contained 10 monosaccharides and 15 amino acids (essential amino acids of 78.12%w/w. In a HepG2 cell model, SC-2 was shown by MTT and TUNEL assay to be completely non-cytotoxic. A kinetic analysis and fluorescence-labeling technique revealed no intracellular disposition of SC-2. Combined treatment of lignans with SC-2 enhanced the intracellular transport of schisandrin B and deoxyschisandrin but decreased that of gomisin C, resulting in alteration of cell-killing bioactivity. The Second Law of Thermodynamics allows this type of unidirectional transport. Conclusively, SC-2 alters the transport and cell killing capability by a "Catcher-Pitcher Unidirectional Transport Mechanism".

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.

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Framework for reactive mass transport

DEFF Research Database (Denmark)

Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

2014-01-01

Reactive transport modeling is applicable for a range of porous materials. Here the modeling framework is focused on cement-based materials, where ion diffusion and migration are described by the Poisson-Nernst-Planck equation system. A two phase vapor/liquid flow model, with a sorption hysteresis...... description is coupled to the system. The mass transport is solved by using the finite element method where the chemical equilibrium is solved explicitly by an operator splitting method. The IPHREEQC library is used as chemical equilibrium solver. The equation system, solved by IPHREEQC, is explained...

Monte Carlo electron/photon transport

International Nuclear Information System (INIS)

Mack, J.M.; Morel, J.E.; Hughes, H.G.

1985-01-01

A review of nonplasma coupled electron/photon transport using Monte Carlo method is presented. Remarks are mainly restricted to linerarized formalisms at electron energies from 1 keV to 1000 MeV. Applications involving pulse-height estimation, transport in external magnetic fields, and optical Cerenkov production are discussed to underscore the importance of this branch of computational physics. Advances in electron multigroup cross-section generation is reported, and its impact on future code development assessed. Progress toward the transformation of MCNP into a generalized neutral/charged-particle Monte Carlo code is described. 48 refs

Performance assessment of coupled processes

International Nuclear Information System (INIS)

Pigford, T.H.

1987-01-01

The author considers all processes to be coupled. For example, a waste package heats the surrounding rock and its pore water, creating gradients in density and pressure that result in increased water flow. That process can be described as coupled, in that the flow is a consequence of heating. In a narrower sense, one speaks also of the more weakly coupled transport processes, expressed by the Onsager reciprocal relations, that state that a transport current, i.e., flux, of heat is accompanied by a small transport current of material, as evidenced in isotope separation by thermal diffusion, the Thompson effect in thermoelectricity, etc. This paper presents a performance assessment of coupled processes

Power electronics for renewable energy systems, transportation and industrial applications

CERN Document Server

Malinowski, Mariusz; Al-Haddad, Kamal

2014-01-01

Power Electronics for Renewable Energy, Transportation, and Industrial Applications combines state-of-the-art global expertise to present the latest research on power electronics and its application in transportation, renewable energy, and different industrial applications. This timely book aims to facilitate the implementation of cutting-edge techniques to design problems offering innovative solutions to the growing power demands in small- and large-size industries. Application areas in the book range from smart homes and electric and plug-in hybrid electrical vehicles (PHEVs), to smart distribution and intelligence operation centers where significant energy efficiency improvements can be achieved through the appropriate use and design of power electronics and energy storage devices.

Reactive transport modeling in variably saturated porous media with OGS-IPhreeqc

Science.gov (United States)

He, W.; Beyer, C.; Fleckenstein, J. H.; Jang, E.; Kalbacher, T.; Shao, H.; Wang, W.; Kolditz, O.

2014-12-01

Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over

Personality Profile Investigation of Adoption Applicant Couples in Arak, 2014

Directory of Open Access Journals (Sweden)

Hamid Reza Jamilian

2016-06-01

Full Text Available Abstract Background: Adoption has a significant role for strengthening families without children and also resolution of psychological confilicts of unsupervised children. The goal of this study is to assess the psychological status of adoption applicant couples. Materials and Methods: This is a descriptive- analytic study that is done with cooperation of welfare organization and Arak University of Medical Sciences in 2014. All adoption applicant couples referred to welfare organization for 1 year participated in the study. Data were gathered by using demographic questionnaire and MMPI-II. Data were showed by descriptive statistic and were analyzed by using mean, average and covariance analysis indices. Results: Mean and standard deviation of all clinical scales and reliability of MMPI-II in all samples and also different subgroups of statistical population were under 65. All applicants had good mental health and psychologically were eligible for adoption. A group of applicants have pretended themselves better than what they are because of the fear of rejection that led to significant difference in k scale(p=0.019. Conclusion: According to the findings of this study, applicants had good mental health and didn’t have any psychopathologic damage, but sometimes they have pretended themselves better than what they are. Investigation of other diagnostic tools in future studies is recommended.

Investigations of the role of nonlinear couplings in structure formation and transport regulation: Experiment, simulation, and theory

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)

Altered astrocyte glutamate transporter regulation of hypothalamic neurosecretory neurons in heart failure rats.

Science.gov (United States)

Potapenko, Evgeniy S; Biancardi, Vinicia C; Zhou, Yiqiang; Stern, Javier E

2012-08-01

Neurohumoral activation, which includes augmented plasma levels of the neurohormone vasopressin (VP), is a common finding in heart failure (HF) that contributes to morbidity and mortality in this disease. While an increased activation of magnocellular neurosecretory cells (MNCs) and enhanced glutamate function in HF is well documented, the precise underlying mechanisms remain to be elucidated. Here, we combined electrophysiology and protein measurements to determine whether altered glial glutamate transporter function and/or expression occurs in the hypothalamic supraoptic nucleus (SON) during HF. Patch-clamp recordings obtained from MNCs in brain slices show that pharmacological blockade of astrocyte glutamate transporter 1 (GLT1) function [500 μM dihydrokainate (DHK)], resulted in a persistent N-methyl-D-aspartate receptor (NMDAR)-mediated inward current (tonic I(NMDA)) in sham rats, an effect that was significantly smaller in MNCs from HF rats. In addition, we found a diminished GLT1 protein content in plasma membrane (but not cytosolic) fractions of SON punches in HF rats. Conversely, astrocyte GLAST expression was significantly higher in the SON of HF rats, while nonselective blockade of glutamate transport activity (100 μM TBOA) evoked an enhanced tonic I(NMDA) activation in HF rats. Steady-state activation of NMDARs by extracellular glutamate levels was diminished during HF. Taken together, these results support a shift in the relative expression and function of two major glial glutamate transporters (from GLT1 to GLAST predominance) during HF. This shift may act as a compensatory mechanism to preserve an adequate basal glutamate uptake level in the face of an enhanced glutamatergic afferent activity in HF rats.

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2011-11-02

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Application of Walsh functions to neutron transport problems. I. Theory

International Nuclear Information System (INIS)

Seed, T.J.; Albrecht, R.W.

1976-01-01

An approximation to the neutron transport equation is made by representing the angular flux with an expansion of the angular dependence in the orthogonal, complete, and binary valued sets of Walsh function. The Walsh approximation is applied to the one-speed, isotropic-scattering, rectangular-geometry form of the neutron transport equation. Sets of partial differential equations for the expansion coefficients are derived along with appropriate boundary conditions for their solution. The sets of the Walsh expansion to one- and two-dimensional forms of the transport equation are also obtained. The two-dimensional expansion coefficient equations are shown to be not only hyperbolic but also transformable to a set of S/sub N/-like equations that are coupled only through the scattering term. Such transformal sets of equations are termed Walsh-derived quadrature sets

Coupling between plasmonic films and nanostructures: from basics to applications

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Maurer Thomas

2015-11-01

Full Text Available Plasmonic film-nanoparticles coupled systems have had a renewed interest for the past 5 years both for the richness of the provided plasmonic modes and for their high technological potential. Many groups started to investigate the optical properties of film-nanoparticles coupled systems, as to whether the spacer layer thickness is tens of nanometers thick or goes down to a few nanometers or angstroms, even reaching contact. This article reviews the recent breakthroughs in the physical understanding of such coupled systems and the different systems where nanoparticles on top of the spacer layer are either isolated/random or form regular arrays. The potential for applications, especially as perfect absorbers or transmitters is also put into evidence.

Preliminary Development of the MARS/FREK Spatial Kinetics Coupled System Code for Square Fueled Fast Reactor Applications

International Nuclear Information System (INIS)

Bae, Moo Hoon; Joo, Han Gyu

2009-01-01

Incorporation of a three-dimensional (3-D) reactor kinetics model into a system thermal-hydraulic (T/H) code enhances the capability to perform realistic analyses of the core neutronic behavior and the plant system dynamics which are coupled each other. For this advantage, several coupled system T/H and spatial kinetics codes, such as RELAP/PARCS, RELAP5/ PANBOX, and MARS/MASTER have been developed. These codes, however, so far limited to LWR applications. The objective of this work is to develop such a coupled code for fast reactor applications. Particularly, applications to lead-bismuth eutectic (LBE) cooled fast reactor are of interest which employ open square lattices. A fast reactor kinetics code applicable to square fueled cores called FREK is coupled the LBE version of the MARS code. The MARS/MASTER coupled code is used as the reference for the integration. The coupled code MARS/FREK is examined for a conceptual reactor called P-DEMO which is being developed by NUTRECK. In order to check the validity of the coupled code, however, the OECD MSLB benchmark exercise III calculation is solved first

Coupling between solute transport and chemical reactions models. Acoplamiento de modelos de transporte de solutos y de modelos de reacciones quimicas

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.

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.

A coupling alternative to reactive transport simulations for long-term prediction of chemical reactions in heterogeneous CO2 storage systems

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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.

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

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Science.gov (United States)

2012-11-28

..., Washington, DC 20573, by telephone at (202) 523-5843 or by email at [email protected] . 5G Logistics Solutions LLC..., President. Application Type: New NVO & OFF License. Bennett International Transport, L.L.C. (NVO & OFF.... Castano, COO. Application Type: New NVO & OFF License. James J. Boyle & Co. dba JJB Global Logistics Co...

Metal/dielectric thermal interfacial transport considering cross-interface electron-phonon coupling: Theory, two-temperature molecular dynamics, and thermal circuit

Science.gov (United States)

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.

Dual and Direction-Selective Mechanisms of Phosphate Transport by the Vesicular Glutamate Transporter

Directory of Open Access Journals (Sweden)

Julia Preobraschenski

2018-04-01

Full Text Available Summary: Vesicular glutamate transporters (VGLUTs fill synaptic vesicles with glutamate and are thus essential for glutamatergic neurotransmission. However, VGLUTs were originally discovered as members of a transporter subfamily specific for inorganic phosphate (Pi. It is still unclear how VGLUTs accommodate glutamate transport coupled to an electrochemical proton gradient ΔμH+ with inversely directed Pi transport coupled to the Na+ gradient and the membrane potential. Using both functional reconstitution and heterologous expression, we show that VGLUT transports glutamate and Pi using a single substrate binding site but different coupling to cation gradients. When facing the cytoplasm, both ions are transported into synaptic vesicles in a ΔμH+-dependent fashion, with glutamate preferred over Pi. When facing the extracellular space, Pi is transported in a Na+-coupled manner, with glutamate competing for binding but at lower affinity. We conclude that VGLUTs have dual functions in both vesicle transmitter loading and Pi homeostasis within glutamatergic neurons. : Preobraschenski et al. show that the vesicular glutamate transporter functions as a bi-directional phosphate transporter that is coupled with different cations in each direction and hence may play a key role in neuronal phosphate homeostasis. Keywords: VGLUT, SLC17 family, type I Na+-dependent inorganic phosphate transporter, ATPase, proteoliposomes, hybrid vesicles, anti-VGLUT1 nanobody

The Evaluation of the Application of Transported Education By Teachers

Directory of Open Access Journals (Sweden)

Yasin ŞİMŞEK

2017-01-01

Full Text Available This research aims to find negative and positive aspects within the transported education system thanks to the teachers’ evaluation for the application of transported education. The research is a qualitative research. Interview form was used in order to collect the data. Teachers were asked 6 questions in the form. The research was carried out in Kaynarca in Sakarya. It was implemented on 20 teachers at 2 schools. It is concluded that transported education enables considerably equal opportunities. There are much more opportunities in the school to which transportion is realized and this application enhances the students’ success in the school. However, drivers should be given seminars and courses because their communication skills are quite inefficient. It is also concluded that transported children get tired because of the fact that they spend too much time in the school bus and this affects negatively the children’s performances at school. Moreover , family-teacher communication weakens through time.

Model coupler for coupling of atmospheric, oceanic, and terrestrial models

International Nuclear Information System (INIS)

Nagai, Haruyasu; Kobayashi, Takuya; Tsuduki, Katsunori; Kim, Keyong-Ok

2007-02-01

A numerical simulation system SPEEDI-MP, which is applicable for various environmental studies, consists of dynamical models and material transport models for the atmospheric, terrestrial, and oceanic environments, meteorological and geographical databases for model inputs, and system utilities for file management, visualization, analysis, etc., using graphical user interfaces (GUIs). As a numerical simulation tool, a model coupling program (model coupler) has been developed. It controls parallel calculations of several models and data exchanges among them to realize the dynamical coupling of the models. It is applicable for any models with three-dimensional structured grid system, which is used by most environmental and hydrodynamic models. A coupled model system for water circulation has been constructed with atmosphere, ocean, wave, hydrology, and land-surface models using the model coupler. Performance tests of the coupled model system for water circulation were also carried out for the flood event at Saudi Arabia in January 2005 and the storm surge case by the hurricane KATRINA in August 2005. (author)

Application of radiation protection programmes to transport of radioactive material

International Nuclear Information System (INIS)

Lopez Vietri, Jorge; Capadona, Nancy; Barenghi, Leonardo

2008-01-01

Full text: The principles for implementing radiation protection programmes (RPP) are detailed in the draft IAEA safety guide TS-G-1.5 'Radiation protection programmes for transport of radioactive material'. The document is described in this paper and analysis is made for typical applications to current operations carried out by consignors, carriers and consignees. Systematic establishment and application of RPPs is a way to control radiological protection during different steps of transport activity. The most widely transported packages in the world are radiopharmaceuticals by road. It is described an application of RPP for an organization involved in road transport of Type A packages containing radiopharmaceuticals. Considerations based on the radionuclides, quantities and activities transported are the basis to design and establish the scope of the RPP for the organizations involved in transport. Next stage is the determination of roles and responsibilities for each activity related to transport of radioactive materials. An approach to the dose received by workers is evaluated considering the type, category and quantity of packages, the radionuclides, the frequency of consignments and how long are the storages. The average of transports made in the last years must be taken into account and special measures intended to optimize the protection are evaluated. Tasks like monitoring, control of surface contamination and segregation measures, are designed based on the dose evaluation and optimization. The RPP also indicates main measures to follow in case of emergency during transport taking account of radionuclides, activities and category of packages for different accident scenarios. Basis for training personnel involved in handling of radioactive materials to insure they have appropriate knowledge about preparing packages, measuring dose rates, calculating transport index, labelling, marking and placarding, transport documents, etc, are considered. The RPP is a part

Rural Public Transportation Technologies: User Needs and Applications. Final Report

Science.gov (United States)

1998-08-01

The Rural Public Transportation Technologies: User Needs and Applications Study was conducted as part of the U.S. DOT's overall Rural Intelligent Transportation System (ITS) Program. The study examined the opportunities and challenges of planning and...

Short-term fertilizer application alters phenotypic traits of symbiotic nitrogen fixing bacteria.

Science.gov (United States)

Simonsen, Anna K; Han, Shery; Rekret, Phil; Rentschler, Christine S; Heath, Katy D; Stinchcombe, John R

2015-01-01

Fertilizer application is a common anthropogenic alteration to terrestrial systems. Increased nutrient input can impact soil microbial diversity or function directly through altered soil environments, or indirectly through plant-microbe feedbacks, with potentially important effects on ecologically-important plant-associated mutualists. We investigated the impacts of plant fertilizer, containing all common macro and micronutrients on symbiotic nitrogen-fixing bacteria (rhizobia), a group of bacteria that are important for plant productivity and ecosystem function. We collected rhizobia nodule isolates from natural field soil that was treated with slow-release plant fertilizer over a single growing season and compared phenotypic traits related to free-living growth and host partner quality in these isolates to those of rhizobia from unfertilized soils. Through a series of single inoculation assays in controlled glasshouse conditions, we found that isolates from fertilized field soil provided legume hosts with higher mutualistic benefits. Through growth assays on media containing variable plant fertilizer concentrations, we found that plant fertilizer was generally beneficial for rhizobia growth. Rhizobia isolated from fertilized field soil had higher growth rates in the presence of plant fertilizer compared to isolates from unfertilized field soil, indicating that plant fertilizer application favoured rhizobia isolates with higher abilities to utilize fertilizer for free-living growth. We found a positive correlation between growth responses to fertilizer and mutualism benefits among isolates from fertilized field soil, demonstrating that variable plant fertilizer induces context-dependent genetic correlations, potentially changing the evolutionary trajectory of either trait through increased trait dependencies. Our study shows that short-term application is sufficient to alter the composition of rhizobia isolates in the population or community, either directly

Short-term fertilizer application alters phenotypic traits of symbiotic nitrogen fixing bacteria

Directory of Open Access Journals (Sweden)

Anna K. Simonsen

2015-10-01

Full Text Available Fertilizer application is a common anthropogenic alteration to terrestrial systems. Increased nutrient input can impact soil microbial diversity or function directly through altered soil environments, or indirectly through plant-microbe feedbacks, with potentially important effects on ecologically-important plant-associated mutualists. We investigated the impacts of plant fertilizer, containing all common macro and micronutrients on symbiotic nitrogen-fixing bacteria (rhizobia, a group of bacteria that are important for plant productivity and ecosystem function. We collected rhizobia nodule isolates from natural field soil that was treated with slow-release plant fertilizer over a single growing season and compared phenotypic traits related to free-living growth and host partner quality in these isolates to those of rhizobia from unfertilized soils. Through a series of single inoculation assays in controlled glasshouse conditions, we found that isolates from fertilized field soil provided legume hosts with higher mutualistic benefits. Through growth assays on media containing variable plant fertilizer concentrations, we found that plant fertilizer was generally beneficial for rhizobia growth. Rhizobia isolated from fertilized field soil had higher growth rates in the presence of plant fertilizer compared to isolates from unfertilized field soil, indicating that plant fertilizer application favoured rhizobia isolates with higher abilities to utilize fertilizer for free-living growth. We found a positive correlation between growth responses to fertilizer and mutualism benefits among isolates from fertilized field soil, demonstrating that variable plant fertilizer induces context-dependent genetic correlations, potentially changing the evolutionary trajectory of either trait through increased trait dependencies. Our study shows that short-term application is sufficient to alter the composition of rhizobia isolates in the population or community

Nonequilibrium statistical operator in hot-electron transport theory

International Nuclear Information System (INIS)

Xing, D.Y.; Liu, M.

1991-09-01

The Nonequilibrium Statistical Operator method developed by Zubarev is generalized and applied to the study of hot-electron transport in semiconductors. The steady-state balance equations for momentum and energy are derived to the lowest order in the electron-lattice coupling. We show that the derived balance equations are exactly the same as those obtained by Lei and Ting. This equivalence stems from the fact that to the linear order in the electron-lattice coupling, two statistical density matrices have identical effect when they are used to calculate the average value of a dynamical operator. The application to the steady-state and transient hot-electron transport in multivalley semiconductors is also discussed. (author). 28 refs, 1 fig

Fully quantum-mechanical dynamic analysis of single-photon transport in a single-mode waveguide coupled to a traveling-wave resonator

International Nuclear Information System (INIS)

Hach, Edwin E. III; Elshaari, Ali W.; Preble, Stefan F.

2010-01-01

We analyze the dynamics of single-photon transport in a single-mode waveguide coupled to a micro-optical resonator by using a fully quantum-mechanical model. We examine the propagation of a single-photon Gaussian packet through the system under various coupling conditions. We review the theory of single-photon transport phenomena as applied to the system and we develop a discussion on the numerical technique we used to solve for dynamical behavior of the quantized field. To demonstrate our method and to establish robust single-photon results, we study the process of adiabatically lowering or raising the energy of a single photon trapped in an optical resonator under active tuning of the resonator. We show that our fully quantum-mechanical approach reproduces the semiclassical result in the appropriate limit and that the adiabatic invariant has the same form in each case. Finally, we explore the trapping of a single photon in a system of dynamically tuned, coupled optical cavities.

Ocean-Atmosphere Coupling Processes Affecting Predictability in the Climate System

Science.gov (United States)

Miller, A. J.; Subramanian, A. C.; Seo, H.; Eliashiv, J. D.

2017-12-01

Predictions of the ocean and atmosphere are often sensitive to coupling at the air-sea interface in ways that depend on the temporal and spatial scales of the target fields. We will discuss several aspects of these types of coupled interactions including oceanic and atmospheric forecast applications. For oceanic mesoscale eddies, the coupling can influence the energetics of the oceanic flow itself. For Madden-Julian Oscillation onset, the coupling timestep should resolve the diurnal cycle to properly raise time-mean SST and latent heat flux prior to deep convection. For Atmospheric River events, the evolving SST field can alter the trajectory and intensity of precipitation anomalies along the California coast. Improvements in predictions will also rely on identifying and alleviating sources of biases in the climate states of the coupled system. Surprisingly, forecast skill can also be improved by enhancing stochastic variability in the atmospheric component of coupled models as found in a multiscale ensemble modeling approach.

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.)

Cost reductions of fuel cells for transport applications: fuel processing options

Energy Technology Data Exchange (ETDEWEB)

Teagan, W P; Bentley, J; Barnett, B [Arthur D. Little, Inc., Cambridge, MA (United States)

1998-03-15

The highly favorable efficiency/environmental characteristics of fuel cell technologies have now been verified by virtue of recent and ongoing field experience. The key issue regarding the timing and extent of fuel cell commercialization is the ability to reduce costs to acceptable levels in both stationary and transport applications. It is increasingly recognized that the fuel processing subsystem can have a major impact on overall system costs, particularly as ongoing R and D efforts result in reduction of the basic cost structure of stacks which currently dominate system costs. The fuel processing subsystem for polymer electrolyte membrane fuel cell (PEMFC) technology, which is the focus of transport applications, includes the reformer, shift reactors, and means for CO reduction. In addition to low cost, transport applications require a fuel processor that is compact and can start rapidly. This paper describes the impact of factors such as fuel choice operating temperature, material selection, catalyst requirements, and controls on the cost of fuel processing systems. There are fuel processor technology paths which manufacturing cost analyses indicate are consistent with fuel processor subsystem costs of under $150/kW in stationary applications and $30/kW in transport applications. As such, the costs of mature fuel processing subsystem technologies should be consistent with their use in commercially viable fuel cell systems in both application categories. (orig.)

Coupling fine particle and bedload transport in gravel-bedded streams

Science.gov (United States)

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.

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.

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.

Application of IC Card License for Road Transportation in Commercial Vehicles Supervision and Service

Directory of Open Access Journals (Sweden)

Li Weiwei

2016-01-01

Full Text Available IC card electronic license for road transport includes the IC card commercial vehicle’s certificate and IC card practitioner’s qualification certificate. In China, the IC card electronic license for road transport is the electronic ID card which must be carried by each commercial vehicles and practitioners. This paper briefly introduces the basic situation, data format and security keys architecture of IC card electronic license for road transportation of China. In order to strengthen the supervision and service of commercial vehicles, this paper puts forward the overall application framework of IC card electronic license for road transport. The application examples of IC card license in the supervision of passenger station, dangerous goods transport management, governance overload and logistics park and port area management are discussed. The practical application results show that the application of IC card electronic license for road transport is an important technical means to improve the supervision ability and service quality of the road transportation industry.

Ordinance concerning the filing of transport of nuclear fuel materials

International Nuclear Information System (INIS)

1987-01-01

This Order provides provisions concerning nuclear fuel substances requiring notification (nuclear fuel substance, material contaminated with nuclear fuel substances, fissionable substances, etc.), procedure for notification (to prefectural public safety commission), certificate of transpot (issued via public safety commission), instructions (speed of vehicle for transporting nuclear fuel substances, parking of vehicle, place for loading and unloading of nuclear fuel substances, method for loading and unloading, report to police, measures for disaster prevention during transport, etc.), communication among members of public safety commission (for smooth transport), notification of alteration of data in transport certificate (application to be submitted to public safety commission), application of reissue of transport certificate, return of transport certificate, inspection concerning transport (to be performed by police), submission of report (to be submitted by refining facilities manager, processing facilities manager, nuclear reactor manager, master of foreign nuclear powered ship, reprocessing facilities manager, waste disposal facilities manager; concerning stolen or missing nuclear fuel substances, traffic accident, unusual leakage of nuclear fuel substances, etc.). (Nogami, K.)

Nanoscale thermal transport: Theoretical method and application

Science.gov (United States)

Zeng, Yu-Jia; Liu, Yue-Yang; Zhou, Wu-Xing; Chen, Ke-Qiu

2018-03-01

With the size reduction of nanoscale electronic devices, the heat generated by the unit area in integrated circuits will be increasing exponentially, and consequently the thermal management in these devices is a very important issue. In addition, the heat generated by the electronic devices mostly diffuses to the air in the form of waste heat, which makes the thermoelectric energy conversion also an important issue for nowadays. In recent years, the thermal transport properties in nanoscale systems have attracted increasing attention in both experiments and theoretical calculations. In this review, we will discuss various theoretical simulation methods for investigating thermal transport properties and take a glance at several interesting thermal transport phenomena in nanoscale systems. Our emphasizes will lie on the advantage and limitation of calculational method, and the application of nanoscale thermal transport and thermoelectric property. Project supported by the Nation Key Research and Development Program of China (Grant No. 2017YFB0701602) and the National Natural Science Foundation of China (Grant No. 11674092).

Leukemia-Associated Mutations in Nucleophosmin Alter Recognition by CRM1: Molecular Basis of Aberrant Transport.

Directory of Open Access Journals (Sweden)

Igor Arregi

Full Text Available Nucleophosmin (NPM is a nucleocytoplasmic shuttling protein, normally enriched in nucleoli, that performs several activities related to cell growth. NPM mutations are characteristic of a subtype of acute myeloid leukemia (AML, where mutant NPM seems to play an oncogenic role. AML-associated NPM mutants exhibit altered subcellular traffic, being aberrantly located in the cytoplasm of leukoblasts. Exacerbated export of AML variants of NPM is mediated by the nuclear export receptor CRM1, and due, in part, to a mutationally acquired novel nuclear export signal (NES. To gain insight on the molecular basis of NPM transport in physiological and pathological conditions, we have evaluated the export efficiency of NPM in cells, and present new data indicating that, in normal conditions, wild type NPM is weakly exported by CRM1. On the other hand, we have found that AML-associated NPM mutants efficiently form complexes with CRM1HA (a mutant CRM1 with higher affinity for NESs, and we have quantitatively analyzed CRM1HA interaction with the NES motifs of these mutants, using fluorescence anisotropy and isothermal titration calorimetry. We have observed that the affinity of CRM1HA for these NESs is similar, which may help to explain the transport properties of the mutants. We also describe NPM recognition by the import machinery. Our combined cellular and biophysical studies shed further light on the determinants of NPM traffic, and how it is dramatically altered by AML-related mutations.

Positron transport: The plasma-gas interface

International Nuclear Information System (INIS)

Marler, J. P.; Petrovic, Z. Lj.; Bankovic, A.; Dujko, S.; Suvakov, M.; Malovic, G.; Buckman, S. J.

2009-01-01

Motivated by an increasing number of applications, new techniques in the analysis of electron transport have been developed over the past 30 years or so, but similar methods had yet to be applied to positrons. Recently, an in-depth look at positron transport in pure argon gas has been performed using a recently established comprehensive set of cross sections and well-established Monte Carlo simulations. The key novelty as compared to electron transport is the effect of positronium formation which changes the number of particles and has a strong energy dependence. This coupled with spatial separation by energy of the positron swarm leads to counterintuitive behavior of some of the transport coefficients. Finally new results in how the presence of an applied magnetic field affects the transport coefficients are presented.

77 FR 72863 - Ocean Transportation Intermediary License Applicants

Science.gov (United States)

2012-12-06

... & D Transport, Inc. (NVO & OFF), 4869 Peavey Drive, Meridian, MS 39301. Officers: Uros Pejanovic, Vice... Nucete, Director. Application Type: New NVO & OFF License. Embarque Los Hidalgos LLC (NVO & OFF), 326...

TORT-TD/ATTICA3D: a coupled neutron transport and thermal hydraulics code system for 3-D transient analysis of gas cooled high temperature reactors

International Nuclear Information System (INIS)

Lapins, J.; Seubert, A.; Buck, M.; Bader, J.; Laurien, E.

2011-01-01

Comprehensive safety studies of high temperature gas cooled reactors (HTR) require full three dimensional coupled treatments of both neutron kinetics and thermal-hydraulics. In a common effort, GRS and IKE developed the coupled code system TORT-TD/ATTICA3D for pebble bed type HTR that connects the 3-D transient discrete-ordinates transport code TORT-TD with the 3-D porous medium thermal-hydraulics code ATTICA3D. In this paper, the physical models and calculation capabilities of TORT-TD and ATTICA3D are presented, focusing on model improvements in ATTICA3D and extensions made in TORT-TD related to HTR application. For first applications, the OECD/NEA/NSC PBMR-400 benchmark has been chosen. Results obtained with TORT-TD/ATTICA3D will be shown for transient exercises, e.g. control rod withdrawal and a control rod ejection. Results are compared to other benchmark participants' solutions with special focus on fuel temperature modelling features of ATTICA3D. The provided “grey-curtain” nuclear cross section libraries have been used. First results on 3-D effects during a control rod withdrawal transient will be presented. (author)

Electron transport calculations with biomedical and environmental applications: [Progress report, FY 1987

International Nuclear Information System (INIS)

1987-01-01

This project investigated radiation interactions with matter and radiation transport in bulk media, to generate basic radiological physics information. Applications include biomedical radiation dosimetry, the assessment of radiation hazards in nuclear technology, and modeling of biological radiation action. This work included the development of transport-theoretic methods, the compilation and critical evaluation of the underlying single-scattering cross sections, and the application of the transport methods to radiological physics problems. 7 refs

Agent-Based Coordination Model for Designing Transportation Applications

OpenAIRE

BADEIG, F; BALBO, F; SCEMAMA, G; ZARGAYOUNA, M

2008-01-01

This paper presents an environment-centered approach to design multi-agent solutions to transportation problems. Based on the Property-based Coordination Principle (PbC), the objective of our approach is to solve three recurrent issues in the design of these solutions: the knowledge problem, the space-time dimension and the dynamics of the real environment. To demonstrate the benefits of our approach, two completely different applications, a demand-responsive transportation system and a simul...

Development of bilirubin metabolism and transport in the neonate.

Science.gov (United States)

Gartner, L M

1977-01-01

Comprehensive physiologic study of the developmental processes of bilirubin metabolism and transport reveal a complex interaction of various steps. Phase I Physiologic Jaundice results from the simultaneous increase in bilirubin load presented to the liver and decrease in bilirubin conjugating capacity. Phase II appears to result from a mild decrease in hepatic uptake capacity, coupled with the continuing increase in bilirubin load. Since these results are based upon studies of newborn rhesus monkeys, confirmatory studies in human neonates are required. Perhaps the most challenging aspect of these observations relates to the concept of a developmentally determined delicate imbalance between two functions. It is unlikely that pharmacologic agents could radically alter a single function. Therefore, it is perhaps more realistic to think that drug treatments which only slightly alter two functions simultaneously but in the appropriate directions could more effectively reduce the risk of toxicity. Thus, a mild increase in bilirubin conjugation coupled with a small but significant decrease in bilirubin load could markedly alleviate the severity of physiologic jaundice.

RADHEAT-V3, a code system for generating coupled neutron and gamma-ray group constants and analyzing radiation transport

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.)

77 FR 70162 - Ocean Transportation Intermediary License Applicants

Science.gov (United States)

2012-11-23

...), 900 Center Park Drive, Suite F, Charlotte, NC 28217, Officers: Paul L. Carter, Vice President (QI...), Application Type: New NVO License. Transport Partner (USA), Inc. (NVO & OFF), 2006 Cherry Hill Lane...

75 FR 28250 - Ocean Transportation Intermediary License Applicants

Science.gov (United States)

2010-05-20

... Type: Add NVO Service and QI Change. Best Container Express, Inc. (NVO), 17238 S. Main Street, Gardena...). Peixin Li, President. Application Type: Add OFF Services. Project Rail, LLC dba Vectora Transportation...

SeSBench - An initiative to benchmark reactive transport models for environmental subsurface processes

Science.gov (United States)

Jacques, Diederik

2017-04-01

As soil functions are governed by a multitude of interacting hydrological, geochemical and biological processes, simulation tools coupling mathematical models for interacting processes are needed. Coupled reactive transport models are a typical example of such coupled tools mainly focusing on hydrological and geochemical coupling (see e.g. Steefel et al., 2015). Mathematical and numerical complexity for both the tool itself or of the specific conceptual model can increase rapidly. Therefore, numerical verification of such type of models is a prerequisite for guaranteeing reliability and confidence and qualifying simulation tools and approaches for any further model application. In 2011, a first SeSBench -Subsurface Environmental Simulation Benchmarking- workshop was held in Berkeley (USA) followed by four other ones. The objective is to benchmark subsurface environmental simulation models and methods with a current focus on reactive transport processes. The final outcome was a special issue in Computational Geosciences (2015, issue 3 - Reactive transport benchmarks for subsurface environmental simulation) with a collection of 11 benchmarks. Benchmarks, proposed by the participants of the workshops, should be relevant for environmental or geo-engineering applications; the latter were mostly related to radioactive waste disposal issues - excluding benchmarks defined for pure mathematical reasons. Another important feature is the tiered approach within a benchmark with the definition of a single principle problem and different sub problems. The latter typically benchmarked individual or simplified processes (e.g. inert solute transport, simplified geochemical conceptual model) or geometries (e.g. batch or one-dimensional, homogeneous). Finally, three codes should be involved into a benchmark. The SeSBench initiative contributes to confidence building for applying reactive transport codes. Furthermore, it illustrates the use of those type of models for different

Alteration of the ground state by external magnetic fields. [External field, coupling constant ratio, static tree level approximation

Energy Technology Data Exchange (ETDEWEB)

Harrington, B J; Shepard, H K [New Hampshire Univ., Durham (USA). Dept. of Physics

1976-03-22

By fully exploiting the mathematical and physical analogy to the Ginzburg-Landau theory of superconductivity, a complete discussion of the ground state behavior of the four-dimensional Abelian Higgs model in the static tree level approximation is presented. It is shown that a sufficiently strong external magnetic field can alter the ground state of the theory by restoring a spontaneously broken symmetry, or by creating a qualitatively different 'vortex' state. The energetically favored ground state is explicitly determined as a function of the external field and the ratio between coupling constants of the theory.

Modeling thermal dynamics of active layer soils and near-surface permafrost using a fully coupled water and heat transport model

Science.gov (United States)

Jiang, Yueyang; Zhuang, Qianlai; O'Donnell, Jonathan A.

2012-01-01

Thawing and freezing processes are key components in permafrost dynamics, and these processes play an important role in regulating the hydrological and carbon cycles in the northern high latitudes. In the present study, we apply a well-developed soil thermal model that fully couples heat and water transport, to simulate the thawing and freezing processes at daily time steps across multiple sites that vary with vegetation cover, disturbance history, and climate. The model performance was evaluated by comparing modeled and measured soil temperatures at different depths. We use the model to explore the influence of climate, fire disturbance, and topography (north- and south-facing slopes) on soil thermal dynamics. Modeled soil temperatures agree well with measured values for both boreal forest and tundra ecosystems at the site level. Combustion of organic-soil horizons during wildfire alters the surface energy balance and increases the downward heat flux through the soil profile, resulting in the warming and thawing of near-surface permafrost. A projection of 21st century permafrost dynamics indicates that as the climate warms, active layer thickness will likely increase to more than 3 meters in the boreal forest site and deeper than one meter in the tundra site. Results from this coupled heat-water modeling approach represent faster thaw rates than previously simulated in other studies. We conclude that the discussed soil thermal model is able to well simulate the permafrost dynamics and could be used as a tool to analyze the influence of climate change and wildfire disturbance on permafrost thawing.

Application of gadolinia credit to cask transportation of BWR-STEP3 SFAs

International Nuclear Information System (INIS)

Kikuchi, Tsukasa; Mitsuhashi, Ishi; Ito, Dai-ichiro; Nakamura, Yu

2003-01-01

Instead of the fresh-fuel assumption, the application of gadolinia credit to cask transportation of BWR SFAs is studied. Its efficacy for BWR-STEP2 SFAs had already been estimated. This paper reports on the application of gadolinia credit to cask transportation of BWR-STEP3 SFAs. (author)

Majorana transport in superconducting nanowire with Rashba and Dresselhaus spin-orbit couplings.

Science.gov (United States)

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)

Transport of the photodynamic therapy agent 5-aminolevulinic acid by distinct H+-coupled nutrient carriers coexpressed in the small intestine.

Science.gov (United States)

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.

Fluxes of lactate into, from, and among gap junction-coupled astrocytes and their interaction with noradrenaline

Directory of Open Access Journals (Sweden)

Leif eHertz

2014-09-01

Full Text Available Lactate is a versatile metabolite with important roles in modulation of brain glucose utilization rate (CMRglc, diagnosis of brain-injured patients, redox- and receptor-mediated signaling, memory, and alteration of gene transcription. Neurons and astrocytes release and accumulate lactate using equilibrative monocarboxylate transporters that carry out net transmembrane transport of lactate only until intra- and extracellular levels reach equilibrium. Astrocytes have much faster lactate uptake than neurons and shuttle more lactate among gap junction-coupled astrocytes than to nearby neurons. Lactate diffusion within syncytia can provide precursors for oxidative metabolism and glutamate synthesis and facilitate its release from endfeet to perivascular space to stimulate blood flow. Lactate efflux from brain during activation underlies the large underestimation of CMRglc with labeled glucose and fall in CMRO2/CMRglc ratio. Receptor-mediated effects of lactate on locus coeruleus neurons include noradrenaline release in cerebral cortex and c-AMP-mediated stimulation of astrocytic gap junctional coupling, thereby enhancing its dispersal and release from brain. Lactate transport is essential for its multifunctional roles.

Self-organization observed in either fusion or strongly coupled plasmas

International Nuclear Information System (INIS)

Himura, Haruhiko; Sanpei, Akio

2011-01-01

If self-organization happens in the fusion plasma, the plasma alters its shape by weakening the confining magnetic field. The self-organized plasma is stable and robust, so its configuration is conserved even during transport in asymmetric magnetic fields. The self-organization of the plasma is driven by an electrostatic potential. Examples of the plasma that has such strong potential are non-neutral plasmas of pure ions or electrons and dusty plasmas. In the present paper, characteristic phenomena of strongly coupled plasmas such as particle aggregation and formation of the ordered structure are discussed. (T.I.)

Applications for skimmer coupling systems, combining simultaneous thermal analysers with mass spectrometers

International Nuclear Information System (INIS)

Kaisersberger, E.; Post, E.

1998-01-01

The sensitivity of the Skimmer coupling for combining the simultaneous thermal analysis (STA) method TG-DTA/DSC and mass spectrometry (MS) is further improved by a factor of three using an automatic vacuum control device. Especially high mass numbers are detected without the common condensation problems met in capillary couplings, as is shown by application of the skimmer coupling for coal, CuGaSe 2 -semiconductor material and polystyrene. The basic idea of the novel pulse thermal analysis technique (PTA) is demonstrated. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

Shallow water table effects on water, sediment, and pesticide transport in vegetative filter strips - Part 2: model coupling, application, factor importance, and uncertainty

Science.gov (United States)

Lauvernet, Claire; Muñoz-Carpena, Rafael

2018-01-01

Vegetative filter strips are often used for protecting surface waters from pollution transferred by surface runoff in agricultural watersheds. In Europe, they are often prescribed along the stream banks, where a seasonal shallow water table (WT) could decrease the buffer zone efficiency. In spite of this potentially important effect, there are no systematic experimental or theoretical studies on the effect of this soil boundary condition on the VFS efficiency. In the companion paper (Muñoz-Carpena et al., 2018), we developed a physically based numerical algorithm (SWINGO) that allows the representation of soil infiltration with a shallow water table. Here we present the dynamic coupling of SWINGO with VFSMOD, an overland flow and transport mathematical model to study the WT influence on VFS efficiency in terms of reductions of overland flow, sediment, and pesticide transport. This new version of VFSMOD was applied to two contrasted benchmark field studies in France (sandy-loam soil in a Mediterranean semicontinental climate, and silty clay in a temperate oceanic climate), where limited testing of the model with field data on one of the sites showed promising results. The application showed that for the conditions of the studies, VFS efficiency decreases markedly when the water table is 0 to 1.5 m from the surface. In order to evaluate the relative importance of WT among other input factors controlling VFS efficiency, global sensitivity and uncertainty analysis (GSA) was applied on the benchmark studies. The most important factors found for VFS overland flow reduction were saturated hydraulic conductivity and WT depth, added to sediment characteristics and VFS dimensions for sediment and pesticide reductions. The relative importance of WT varied as a function of soil type (most important at the silty-clay soil) and hydraulic loading (rainfall + incoming runoff) at each site. The presence of WT introduced more complex responses dominated by strong interactions in

Aerodynamic Modeling of Transonic Aircraft Using Vortex Lattice Coupled with Transonic Small Disturbance for Conceptual Design

Science.gov (United States)

Chaparro, Daniel; Fujiwara, Gustavo E. C.; Ting, Eric; Nguyen, Nhan

2016-01-01

The need to rapidly scan large design spaces during conceptual design calls for computationally inexpensive tools such as the vortex lattice method (VLM). Although some VLM tools, such as Vorview have been extended to model fully-supersonic flow, VLM solutions are typically limited to inviscid, subcritical flow regimes. Many transport aircraft operate at transonic speeds, which limits the applicability of VLM for such applications. This paper presents a novel approach to correct three-dimensional VLM through coupling of two-dimensional transonic small disturbance (TSD) solutions along the span of an aircraft wing in order to accurately predict transonic aerodynamic loading and wave drag for transport aircraft. The approach is extended to predict flow separation and capture the attenuation of aerodynamic forces due to boundary layer viscosity by coupling the TSD solver with an integral boundary layer (IBL) model. The modeling framework is applied to the NASA General Transport Model (GTM) integrated with a novel control surface known as the Variable Camber Continuous Trailing Edge Flap (VCCTEF).

THE APPLICATION OF MAMMOTH FOR A DETAILED TIGHTLY COUPLED FUEL PIN SIMULATION WITH A STATION BLACKOUT

Energy Technology Data Exchange (ETDEWEB)

Gleicher, Frederick; Ortensi, Javier; DeHart, Mark; Wang, Yaqi; Schunert, Sebastian; Novascone, Stephen; Hales, Jason; Williamson, Rich; Slaughter, Andrew; Permann, Cody; Andrs, David; Martineau, Richard

2016-09-01

Accurate calculation of desired quantities to predict fuel behavior requires the solution of interlinked equations representing different physics. Traditional fuels performance codes often rely on internal empirical models for the pin power density and a simplified boundary condition on the cladding edge. These simplifications are performed because of the difficulty of coupling applications or codes on differing domains and mapping the required data. To demonstrate an approach closer to first principles, the neutronics application Rattlesnake and the thermal hydraulics application RELAP-7 were coupled to the fuels performance application BISON under the master application MAMMOTH. A single fuel pin was modeled based on the dimensions of a Westinghouse 17x17 fuel rod. The simulation consisted of a depletion period of 1343 days, roughly equal to three full operating cycles, followed by a station blackout (SBO) event. The fuel rod was depleted for 1343 days for a near constant total power loading of 65.81 kW. After 1343 days the fission power was reduced to zero (simulating a reactor shut-down). Decay heat calculations provided the time-varying energy source after this time. For this problem, Rattlesnake, BISON, and RELAP-7 are coupled under MAMMOTH in a split operator approach. Each system solves its physics on a separate mesh and, for RELAP-7 and BISON, on only a subset of the full problem domain. Rattlesnake solves the neutronics over the whole domain that includes the fuel, cladding, gaps, water, and top and bottom rod holders. Here BISON is applied to the fuel and cladding with a 2D axi-symmetric domain, and RELAP-7 is applied to the flow of the circular outer water channel with a set of 1D flow equations. The mesh on the Rattlesnake side can either be 3D (for low order transport) or 2D (for diffusion). BISON has a matching ring structure mesh for the fuel so both the power density and local burn up are copied accurately from Rattlesnake. At each depletion time

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

Applications of advanced transport aircraft in developing countries

Science.gov (United States)

Gobetz, F. W.; Assarabowski, R. J.; Leshane, A. A.

1978-01-01

Four representative market scenarios were studied to evaluate the relative performance of air-and surface-based transportation systems in meeting the needs of two developing contries, Brazil and Indonesia, which were selected for detailed case studies. The market scenarios were: remote mining, low-density transport, tropical forestry, and large cargo aircraft serving processing centers in resource-rich, remote areas. The long-term potential of various aircraft types, together with fleet requirements and necessary technology advances, is determined for each application.

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)

Control of coupled oscillator networks with application to microgrid technologies

Science.gov (United States)

Arenas, Alex

The control of complex systems and network-coupled dynamical systems is a topic of vital theoretical importance in mathematics and physics with a wide range of applications in engineering and various other sciences. Motivated by recent research into smart grid technologies, we study the control of synchronization and consider the important case of networks of coupled phase oscillators with nonlinear interactions-a paradigmatic example that has guided our understanding of self-organization for decades. We develop a method for control based on identifying and stabilizing problematic oscillators, resulting in a stable spectrum of eigenvalues, and in turn a linearly stable syn- chronized state. The amount of control, that is, number of oscillators, required to stabilize the network is primarily dictated by the coupling strength, dynamical heterogeneity, and mean degree of the network, and depends little on the structural heterogeneity of the network itself.

Control of coupled oscillator networks with application to microgrid technologies.

Science.gov (United States)

Skardal, Per Sebastian; Arenas, Alex

2015-08-01

The control of complex systems and network-coupled dynamical systems is a topic of vital theoretical importance in mathematics and physics with a wide range of applications in engineering and various other sciences. Motivated by recent research into smart grid technologies, we study the control of synchronization and consider the important case of networks of coupled phase oscillators with nonlinear interactions-a paradigmatic example that has guided our understanding of self-organization for decades. We develop a method for control based on identifying and stabilizing problematic oscillators, resulting in a stable spectrum of eigenvalues, and in turn a linearly stable synchronized state. The amount of control, that is, number of oscillators, required to stabilize the network is primarily dictated by the coupling strength, dynamical heterogeneity, and mean degree of the network, and depends little on the structural heterogeneity of the network itself.

Final Report for the "Fusion Application for Core-Edge Transport Simulations (FACETS)"

Energy Technology Data Exchange (ETDEWEB)

Cary, John R; Kruger, Scott

2014-10-02

The FACETS project over its lifetime developed the first self-consistent core-edge coupled capabilities, a new transport solver for modeling core transport in tokamak cores, developed a new code for modeling wall physics over long time scales, and significantly improved the capabilities and performance of legacy components, UEDGE, NUBEAM, GLF23, GYRO, and BOUT++. These improved capabilities leveraged the team’s expertise in applied mathematics (solvers and algorithms) and computer science (performance improvements and language interoperability). The project pioneered new methods for tackling the complexity of simulating the concomitant complexity of tokamak experiments.

New Trends in Model Coupling Theory, Numerics and Applications

International Nuclear Information System (INIS)

Coquel, F.; Godlewski, E.; Herard, J. M.; Segre, J.

2010-01-01

This special issue comprises selected papers from the workshop New Trends in Model Coupling, Theory, Numerics and Applications (NTMC'09) which took place in Paris, September 2 - 4, 2009. The research of optimal technological solutions in a large amount of industrial systems requires to perform numerical simulations of complex phenomena which are often characterized by the coupling of models related to various space and/or time scales. Thus, the so-called multi-scale modelling has been a thriving scientific activity which connects applied mathematics and other disciplines such as physics, chemistry, biology or even social sciences. To illustrate the variety of fields concerned by the natural occurrence of model coupling we may quote: meteorology where it is required to take into account several turbulence scales or the interaction between oceans and atmosphere, but also regional models in a global description, solid mechanics where a thorough understanding of complex phenomena such as propagation of cracks needs to couple various models from the atomistic level to the macroscopic level; plasma physics for fusion energy for instance where dense plasmas and collisionless plasma coexist; multiphase fluid dynamics when several types of flow corresponding to several types of models are present simultaneously in complex circuits; social behaviour analysis with interaction between individual actions and collective behaviour. (authors)

23 CFR 450.336 - Applicability of NEPA to metropolitan transportation plans and programs.

Science.gov (United States)

2010-04-01

... the Secretary concerning a metropolitan transportation plan or TIP developed through the processes... 23 Highways 1 2010-04-01 2010-04-01 false Applicability of NEPA to metropolitan transportation... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Metropolitan Transportation Planning and...

Advanced Monte Carlo for radiation physics, particle transport simulation and applications. Proceedings

International Nuclear Information System (INIS)

Kling, A.; Barao, F.J.C.; Nakagawa, M.; Tavora, L.

2001-01-01

The following topics were dealt with: Electron and photon interactions and transport mechanisms, random number generation, applications in medical physisc, microdosimetry, track structure, radiobiological modeling, Monte Carlo method in radiotherapy, dosimetry, and medical accelerator simulation, neutron transport, high-energy hadron transport. (HSI)

Electron-phonon coupling from finite differences

Science.gov (United States)

Monserrat, Bartomeu

2018-02-01

The interaction between electrons and phonons underlies multiple phenomena in physics, chemistry, and materials science. Examples include superconductivity, electronic transport, and the temperature dependence of optical spectra. A first-principles description of electron-phonon coupling enables the study of the above phenomena with accuracy and material specificity, which can be used to understand experiments and to predict novel effects and functionality. In this topical review, we describe the first-principles calculation of electron-phonon coupling from finite differences. The finite differences approach provides several advantages compared to alternative methods, in particular (i) any underlying electronic structure method can be used, and (ii) terms beyond the lowest order in the electron-phonon interaction can be readily incorporated. But these advantages are associated with a large computational cost that has until recently prevented the widespread adoption of this method. We describe some recent advances, including nondiagonal supercells and thermal lines, that resolve these difficulties, and make the calculation of electron-phonon coupling from finite differences a powerful tool. We review multiple applications of the calculation of electron-phonon coupling from finite differences, including the temperature dependence of optical spectra, superconductivity, charge transport, and the role of defects in semiconductors. These examples illustrate the advantages of finite differences, with cases where semilocal density functional theory is not appropriate for the calculation of electron-phonon coupling and many-body methods such as the GW approximation are required, as well as examples in which higher-order terms in the electron-phonon interaction are essential for an accurate description of the relevant phenomena. We expect that the finite difference approach will play a central role in future studies of the electron-phonon interaction.

The situated HKB model: how sensorimotor spatial coupling can alter oscillatory brain dynamics

Science.gov (United States)

Aguilera, Miguel; Bedia, Manuel G.; Santos, Bruno A.; Barandiaran, Xabier E.

2013-01-01

Despite the increase of both dynamic and embodied/situated approaches in cognitive science, there is still little research on how coordination dynamics under a closed sensorimotor loop might induce qualitatively different patterns of neural oscillations compared to those found in isolated systems. We take as a departure point the Haken-Kelso-Bunz (HKB) model, a generic model for dynamic coordination between two oscillatory components, which has proven useful for a vast range of applications in cognitive science and whose dynamical properties are well understood. In order to explore the properties of this model under closed sensorimotor conditions we present what we call the situated HKB model: a robotic model that performs a gradient climbing task and whose “brain” is modeled by the HKB equation. We solve the differential equations that define the agent-environment coupling for increasing values of the agent's sensitivity (sensor gain), finding different behavioral strategies. These results are compared with two different models: a decoupled HKB with no sensory input and a passively-coupled HKB that is also decoupled but receives a structured input generated by a situated agent. We can precisely quantify and qualitatively describe how the properties of the system, when studied in coupled conditions, radically change in a manner that cannot be deduced from the decoupled HKB models alone. We also present the notion of neurodynamic signature as the dynamic pattern that correlates with a specific behavior and we show how only a situated agent can display this signature compared to an agent that simply receives the exact same sensory input. To our knowledge, this is the first analytical solution of the HKB equation in a sensorimotor loop and qualitative and quantitative analytic comparison of spatially coupled vs. decoupled oscillatory controllers. Finally, we discuss the limitations and possible generalization of our model to contemporary neuroscience and

The Situated HKB Model: how sensorimotor spatial coupling can alter oscillatory brain dynamics

Directory of Open Access Journals (Sweden)

Miguel eAguilera

2013-08-01

Full Text Available Despite the increase both of dynamic and embodied/situated approaches in cognitive science, there is still little research on how coordination dynamics under a closed sensorimotor loop might induce qualitatively different patterns of neural oscillations compared to those found in isolated systems. We take as a departure point the HKB model, a generic model for dynamic coordination between two oscillatory components, which has proven useful for a vast range of applications in cognitive science and whose dynamical properties are well understood. In order to explore the properties of this model under closed sensorimotor conditions we present what we call the situated HKB model: a robotic model that performs a gradient climbing task and whose "brain" is modelled by the HKB equation. We solve the differential equations that define the agent-environment coupling for increasing values of the agent's sensitivity (sensor gain, finding different behavioural strategies. These results are compared with two different models: a decoupled HKB with no sensory input and a passively-coupled HKB that is also decoupled but receives a structured input generated by a situated agent. We can precisely quantify and qualitatively describe how the properties of the system, when studied in coupled conditions, radically change in a manner that cannot be deduced from the decoupled HKB models alone. We also present the notion of neurodynamic signature as the dynamic pattern that correlates with a specific behaviour and we show how only a situated agent can display this signature compared to an agent that simply receives the exact same sensory input.To our knowledge, this is the first analytical solution of the HKB equation in a sensorimotor loop and qualitative and quantitative analytic comparison of spatially coupled vs. decoupled oscillatory controllers. Finally, we discuss the limitations and possible generalization of our model to contemporary neuroscience and philosophy

Diamond and diamond-like films for transportation applications

Energy Technology Data Exchange (ETDEWEB)

Perez, J.M.

1993-01-01

This section is a compilation of transparency templates which describe the goals of the Office of Transportation Materials (OTM) Tribology Program. The positions of personnel on the OTM are listed. The role and mission of the OTM is reviewed. The purpose of the Tribology Program is stated to be `to obtain industry input on program(s) in tribology/advanced lubricants areas of interest`. The objective addressed here is to identify opportunities for cost effective application of diamond and diamond-like carbon in transportation systems.

Development of a discrete-ordinate approximation of the neutron transport equation for coupled xy-R-geometry

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

23 CFR 450.222 - Applicability of NEPA to statewide transportation plans and programs.

Science.gov (United States)

2010-04-01

... the Secretary concerning a long-range statewide transportation plan or STIP developed through the... 23 Highways 1 2010-04-01 2010-04-01 false Applicability of NEPA to statewide transportation plans... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Statewide Transportation Planning and...

TOUGHREACT User's Guide: A Simulation Program for Non-isothermal Multiphase Reactive geochemical Transport in Variably Saturated Geologic Media

International Nuclear Information System (INIS)

Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas; Pruess, Karsten

2004-01-01

Coupled modeling of subsurface multiphase fluid and heat flow, solute transport and chemical reactions can be used for the assessment of mineral alteration in hydrothermal systems, waste disposal sites, acid mine drainage remediation, contaminant transport, and groundwater quality. A comprehensive non-isothermal multi-component reactive fluid flow and geochemical transport simulator, TOUGHREACT, has been developed. A wide range of subsurface thermo-physical-chemical processes is considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. The program can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The model can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions are considered, such as aqueous complexation, gas dissolution/exsolution, and cation exchange. Mineral dissolution/precipitation can proceed either subject to local equilibrium or kinetic conditions. Changes in porosity and permeability due to mineral dissolution and precipitation can be considered. Linear adsorption and decay can be included. For the purpose of future extensions, surface complexation by double layer model is coded in the program. Xu and Pruess (1998) developed a first version of a non-isothermal reactive geochemical transport model, TOUGHREACT, by introducing reactive geochemistry into the framework of the existing multi-phase fluid and heat flow code TOUGH2 (Pruess, 1991). Xu, Pruess, and their colleagues have applied the program to a variety of problems such as: (1) supergene copper enrichment (Xu et al, 2001), (2) caprock mineral alteration in a hydrothermal system (Xu and Pruess, 2001a), and (3) mineral trapping for CO 2 disposal in deep saline aquifers (Xu et al, 2003b and 2004a). For modeling the coupled thermal, hydrological, and chemical processes during heater

Shielding calculations in support of the Spallation Neutron Source (SNS) proton beam transport system

International Nuclear Information System (INIS)

Johnson, Jeffrey O.; Gallmeier, Franz X.; Popova, Irina

2002-01-01

Determining the bulk shielding requirements for accelerator environments is generally an easy task compared to analyzing the radiation transport through the complex shield configurations and penetrations typically associated with the detailed Title II design efforts of a facility. Shielding calculations for penetrations in the SNS accelerator environment are presented based on hybrid Monte Carlo and discrete ordinates particle transport methods. This methodology relies on coupling tools that map boundary surface leakage information from the Monte Carlo calculations to boundary sources for one-, two-, and three-dimensional discrete ordinates calculations. The paper will briefly introduce the coupling tools for coupling MCNPX to the one-, two-, and three-dimensional discrete ordinates codes in the DOORS code suite. The paper will briefly present typical applications of these tools in the design of complex shield configurations and penetrations in the SNS proton beam transport system

Improved core-edge tokamak transport simulations with the CORSICA 2 code

International Nuclear Information System (INIS)

Tarditi, A.; Cohen, R.H.; Crotinger, J.A.

1996-01-01

The CORSICA 2 code models the nonlinear transport between the core and the edge of a tokamak plasma. The code couples a 2D axisymmetric edge/SOL model (UEDGE) to a 1D model for the radial core transport in toroidal flux coordinates (the transport module from the CORSICA 1 code). The core density and temperature profiles are joined to the flux-surface average profiles from the 2D code sufficiently inside the magnetic separatrix, at a flux surface on which the edge profiles are approximately constant. In the present version of the code, the deuterium density and electron and ion temperatures are coupled. The electron density is determined by imposing quasi-neutrality, both in the core and in the edge. The model allows the core-edge coupling of multiple ion densities while retaining a single temperature (corresponding to the equilibration value) for the all ion species. Applications of CORSICA 2 to modeling the DIII-D tokamak are discussed. This work will focus on the simulation of the L-H transition, coupling a single ion species (deuterium) and the two (electron and ion) temperatures. These simulations will employ a new self-consistent model for the L-H transition that is being implemented in the UEDGE code. Applications to the modeling of ITER ignition scenarios are also discussed. This will involve coupling a second density species (the thermal alphas), bringing the total number of coupled variables up to four. Finally, the progress in evolving the magnetic geometry is discussed. Currently, this geometry is calculated by CORSICA's MHD equilibrium module (TEQ) at the beginning of the run and fixed thereafter. However, CORSICA 1 can evolve this geometry quasistatically, and this quasistatic treatment is being extended to include the edge/SOL geometry. Recent improvements for code speed-up are also presented

TRIPOLI-4: Monte Carlo transport code functionalities and applications; TRIPOLI-4: code de transport Monte Carlo fonctionnalites et applications

Energy Technology Data Exchange (ETDEWEB)

Both, J P; Lee, Y K; Mazzolo, A; Peneliau, Y; Petit, O; Roesslinger, B [CEA Saclay, Dir. de l' Energie Nucleaire (DEN), Service d' Etudes de Reacteurs et de Modelisation Avancee, 91 - Gif sur Yvette (France)

2003-07-01

Tripoli-4 is a three dimensional calculations code using the Monte Carlo method to simulate the transport of neutrons, photons, electrons and positrons. This code is used in four application fields: the protection studies, the criticality studies, the core studies and the instrumentation studies. Geometry, cross sections, description of sources, principle. (N.C.)

75 FR 12328 - Application of Charter Air Transport, Inc. for Commuter Authority

Science.gov (United States)

2010-03-15

... DEPARTMENT OF TRANSPORTATION Office of the Secretary Application of Charter Air Transport, Inc... interested persons to show cause why it should not issue an order finding Charter Air Transport, Inc., fit, willing, and able, and awarding it Commuter Air Carrier Authorization. DATES: Persons wishing to file...

Potential benefits of superconductivity to transportation in the United States

Science.gov (United States)

Rote, Donald M.; Johnson, Larry R.

Research in U.S. transportation applications of superconductors is strongly motivated by a number of potential national benefits. These include the reduction of dependence on petroleum-based fuels, energy savings, substantially reduced air and noise pollution, increased customer convenience, and reduced maintenance costs. Current transportation technology offers little flexibility to switch to alternative fuels, and efforts to achieve the other benefits are confounded by growing congestion at airports and on urban roadways. A program has been undertaken to identify possible applications of the emerging superconducting applications to transportation and to evaluate potential national benefits. The current phase of the program will select the most promising applications for a more detailed subsequent study. Transportation modes being examined include highway and industrial vehicles, as well as rail, sea, air transport and pipelines. Three strategies are being considered: (1) replacing present components with those employing superconductors, (2) substituting new combinations of components or systems for present systems, and (3) developing completely new technologies. Distinctions are made between low-, medium-, and near-room-temperature superconductors. The most promising applications include magnetically levitated passenger and freight vehicles; replacement of drive systems in locomotives, self-propelled rail cars, and ships; and electric vehicles inductively coupled to electrified roadways.

The Drosophila Neurally Altered Carbohydrate Mutant Has a Defective Golgi GDP-fucose Transporter*

Science.gov (United States)

Geisler, Christoph; Kotu, Varshika; Sharrow, Mary; Rendić, Dubravko; Pöltl, Gerald; Tiemeyer, Michael; Wilson, Iain B. H.; Jarvis, Donald L.

2012-01-01

Studying genetic disorders in model organisms can provide insights into heritable human diseases. The Drosophila neurally altered carbohydrate (nac) mutant is deficient for neural expression of the HRP epitope, which consists of N-glycans with core α1,3-linked fucose residues. Here, we show that a conserved serine residue in the Golgi GDP-fucose transporter (GFR) is substituted by leucine in nac1 flies, which abolishes GDP-fucose transport in vivo and in vitro. This loss of function is due to a biochemical defect, not to destabilization or mistargeting of the mutant GFR protein. Mass spectrometry and HPLC analysis showed that nac1 mutants lack not only core α1,3-linked, but also core α1,6-linked fucose residues on their N-glycans. Thus, the nac1 Gfr mutation produces a previously unrecognized general defect in N-glycan core fucosylation. Transgenic expression of a wild-type Gfr gene restored the HRP epitope in neural tissues, directly demonstrating that the Gfr mutation is solely responsible for the neural HRP epitope deficiency in the nac1 mutant. These results validate the Drosophila nac1 mutant as a model for the human congenital disorder of glycosylation, CDG-IIc (also known as LAD-II), which is also the result of a GFR deficiency. PMID:22745127

Coupling LaGrit unstructured mesh generation and model setup with TOUGH2 flow and transport: A case study

Science.gov (United States)

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.

A coupled deformation-diffusion theory for fluid-saturated porous solids

Science.gov (United States)

Henann, David; Kamrin, Ken; Anand, Lallit

2012-02-01

Fluid-saturated porous materials are important in several familiar applications, such as the response of soils in geomechanics, food processing, pharmaceuticals, and the biomechanics of living bone tissue. An appropriate constitutive theory describing the coupling of the mechanical behavior of the porous solid with the transport of the fluid is a crucial ingredient towards understanding the material behavior in these varied applications. In this work, we formulate and numerically implement in a finite-element framework a large-deformation theory for coupled deformation-diffusion in isotropic, fluid-saturated porous solids. The theory synthesizes the classical Biot theory of linear poroelasticity and the more-recent Coussy theory of poroplasticity in a large deformation framework. In this talk, we highlight several salient features of our theory and discuss representative examples of the application of our numerical simulation capability to problems of consolidation as well as deformation localization in granular materials.

Shallow water table effects on water, sediment, and pesticide transport in vegetative filter strips – Part 2: model coupling, application, factor importance, and uncertainty

Directory of Open Access Journals (Sweden)

C. Lauvernet

2018-01-01

Full Text Available Vegetative filter strips are often used for protecting surface waters from pollution transferred by surface runoff in agricultural watersheds. In Europe, they are often prescribed along the stream banks, where a seasonal shallow water table (WT could decrease the buffer zone efficiency. In spite of this potentially important effect, there are no systematic experimental or theoretical studies on the effect of this soil boundary condition on the VFS efficiency. In the companion paper (Muñoz-Carpena et al., 2018, we developed a physically based numerical algorithm (SWINGO that allows the representation of soil infiltration with a shallow water table. Here we present the dynamic coupling of SWINGO with VFSMOD, an overland flow and transport mathematical model to study the WT influence on VFS efficiency in terms of reductions of overland flow, sediment, and pesticide transport. This new version of VFSMOD was applied to two contrasted benchmark field studies in France (sandy-loam soil in a Mediterranean semicontinental climate, and silty clay in a temperate oceanic climate, where limited testing of the model with field data on one of the sites showed promising results. The application showed that for the conditions of the studies, VFS efficiency decreases markedly when the water table is 0 to 1.5 m from the surface. In order to evaluate the relative importance of WT among other input factors controlling VFS efficiency, global sensitivity and uncertainty analysis (GSA was applied on the benchmark studies. The most important factors found for VFS overland flow reduction were saturated hydraulic conductivity and WT depth, added to sediment characteristics and VFS dimensions for sediment and pesticide reductions. The relative importance of WT varied as a function of soil type (most important at the silty-clay soil and hydraulic loading (rainfall + incoming runoff at each site. The presence of WT introduced more complex responses dominated by strong

Role of inter-tube coupling and quantum interference on electrical transport in carbon nanotube junctions

Science.gov (United States)

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.

Electrochemical-mechanical coupled modeling and parameterization of swelling and ionic transport in lithium-ion batteries

Science.gov (United States)

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.

Identification of Residues in the Lipopolysaccharide ABC Transporter That Coordinate ATPase Activity with Extractor Function.

Science.gov (United States)

Simpson, Brent W; Owens, Tristan W; Orabella, Matthew J; Davis, Rebecca M; May, Janine M; Trauger, Sunia A; Kahne, Daniel; Ruiz, Natividad

2016-10-18

The surface of most Gram-negative bacteria is covered with lipopolysaccharide (LPS), creating a permeability barrier against toxic molecules, including many antimicrobials. To assemble LPS on their surface, Gram-negative bacteria must extract newly synthesized LPS from the inner membrane, transport it across the aqueous periplasm, and translocate it across the outer membrane. The LptA to -G proteins assemble into a transenvelope complex that transports LPS from the inner membrane to the cell surface. The Lpt system powers LPS transport from the inner membrane by using a poorly characterized ATP-binding cassette system composed of the ATPase LptB and the transmembrane domains LptFG. Here, we characterize a cluster of residues in the groove region of LptB that is important for controlling LPS transport. We also provide the first functional characterization of LptFG and identify their coupling helices that interact with the LptB groove. Substitutions at conserved residues in these coupling helices compromise both the assembly and function of the LptB 2 FG complex. Defects in LPS transport conferred by alterations in the LptFG coupling helices can be rescued by changing a residue in LptB that is adjacent to functionally important residues in the groove region. This suppression is achieved by increasing the ATPase activity of the LptB 2 FG complex. Taken together, these data identify a specific binding site in LptB for the coupling helices of LptFG that is responsible for coupling of ATP hydrolysis by LptB with LptFG function to achieve LPS extraction. Lipopolysaccharide (LPS) is synthesized at the cytoplasmic membrane of Gram-negative bacteria and transported across several compartments to the cell surface, where it forms a barrier that protects these organisms from antibiotics. The LptB 2 FG proteins form an ATP-binding cassette (ABC) transporter that uses energy from ATP hydrolysis in the cytoplasm to facilitate extraction of LPS from the outer face of the

An auxin transport independent pathway is involved in phosphate stress-induced root architectural alterations in Arabidopsis. Identification of BIG as a mediator of auxin in pericycle cell activation.

Science.gov (United States)

López-Bucio, José; Hernández-Abreu, Esmeralda; Sánchez-Calderón, Lenin; Pérez-Torres, Anahí; Rampey, Rebekah A; Bartel, Bonnie; Herrera-Estrella, Luis

2005-02-01

Arabidopsis (Arabidopsis thaliana) plants display a number of root developmental responses to low phosphate availability, including primary root growth inhibition, greater formation of lateral roots, and increased root hair elongation. To gain insight into the regulatory mechanisms by which phosphorus (P) availability alters postembryonic root development, we performed a mutant screen to identify genetic determinants involved in the response to P deprivation. Three low phosphate-resistant root lines (lpr1-1 to lpr1-3) were isolated because of their reduced lateral root formation in low P conditions. Genetic and molecular analyses revealed that all lpr1 mutants were allelic to BIG, which is required for normal auxin transport in Arabidopsis. Detailed characterization of lateral root primordia (LRP) development in wild-type and lpr1 mutants revealed that BIG is required for pericycle cell activation to form LRP in both high (1 mm) and low (1 microm) P conditions, but not for the low P-induced alterations in primary root growth, lateral root emergence, and root hair elongation. Exogenously supplied auxin restored normal lateral root formation in lpr1 mutants in the two P treatments. Treatment of wild-type Arabidopsis seedlings with brefeldin A, a fungal metabolite that blocks auxin transport, phenocopies the root developmental alterations observed in lpr1 mutants in both high and low P conditions, suggesting that BIG participates in vesicular targeting of auxin transporters. Taken together, our results show that auxin transport and BIG function have fundamental roles in pericycle cell activation to form LRP and promote root hair elongation. The mechanism that activates root system architectural alterations in response to P deprivation, however, seems to be independent of auxin transport and BIG.

Couplings in multiphasic geo-materials: temperature and chemistry effects

International Nuclear Information System (INIS)

Ghasemzadeh, H.

2006-05-01

Transport of chemical components in soil through water is the major cause of pollution of the soil. This transport takes place around landfills and nuclear waste storage areas, tailings and mine wastes, and so on. A great number of these sites are unsaturated of water and in some cases heat can change the fate of chemical species, that lead us to a coupled problem. In this dissertation, numerical simulation with an existent thermo-hydro-mechanical model and theoretical modeling and numerical simulation of transport and interactions of one chemical species in multiphase media are presented. Integrated THM model in the Code-Aster is presented. Excavation, engineering barrier and thermal load of waste nuclear storage well are modeled. Verification of model is presented with these simulations. A thermo-hydro-mechanical behaviour coupled with chemical phenomena is presented with a fully coupled method that water, gas, chemical species and soil skeleton were considered as constituents and corresponding unknowns are temperature, water pressure, gas pressure, chemical concentration and displacements. For each constituent, mass balance equation and linear momentum equation are written and solved simultaneously to find related unknowns. The results of this model have been compared with the theoretical and experimental results existing in the literature. Furthermore, results of some applications of this model are included. Some areas where further work is required are identified. In particular, there is a need to perform experiments to obtain necessary soil parameters to permit accurate modelling of the heat and contaminant transport in unsaturated soils. (author)

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

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.

Remote sensing applications for transportation and traffic engineering studies: A review of the literature

Science.gov (United States)

Epps, J. W.

1973-01-01

Current references were surveyed for the application of remote sensing to traffic and transportation studies. The major problems are presented that concern traffic engineers and transportation managers, and the literature references that discuss remote sensing applications are summarized.

Modeling sediment transport in Qatar: Application for coastal development planning.

Science.gov (United States)

Yousif, Ruqaiya; Warren, Christopher; Ben-Hamadou, Radhouan; Husrevoglu, Sinan

2018-03-01

Hydrodynamics and sediment transport are key physical processes contributing to habitat structure within the marine environment. Coastal development that results in the alteration of these processes (e.g., changing water flushing and/or sedimentation rates) can have detrimental impacts on sensitive systems. This is a current, relevant issue in Qatar as its coastal regions continue to be developed, not only around the capital of Doha, but in many areas around this Arabian Gulf peninsula. The northeastern Qatari coast is comprised of diverse and sensitive flora and fauna such as seagrass and macroalgae meadows, coral reefs and patches, turtles, and dugongs that tolerate harsh environmental conditions. In the near future, this area may see a rise in anthropogenic activity in the form of coastal development projects. These projects will add to existing natural stresses, such as high temperature, high salinity, and low rates of precipitation. Consequently, there is a need to characterize this area and assess the potential impacts that these anthropogenic activities may have on the region. In the present study, a novel sediment transport model is described and used to demonstrate the potential impact of altering hydrodynamics and subsequent sediment transport along the northeastern Qatar nearshore marine environment. The developed models will be tested using potential scenarios of future anthropogenic activities forecasted to take place in the area. The results will show the effects on water and sediment behavior and provide a scientific approach for key stakeholders to make decisions with respect to the management of the considered coastal zone. Furthermore, it provides a tool and framework that can be utilized in environmental impact assessment and associated hydrodynamic studies along other areas of the Qatari coastal zone. Integr Environ Assess Manag 2018;14:240-251. © 2017 SETAC. © 2017 SETAC.

A review on nanomechanical resonators and their applications in sensors and molecular transportation

International Nuclear Information System (INIS)

Arash, Behrouz; Rabczuk, Timon; Jiang, Jin-Wu

2015-01-01

Nanotechnology has opened a new area in science and engineering, leading to the development of novel nano-electromechanical systems such as nanoresonators with ultra-high resonant frequencies. The ultra-high-frequency resonators facilitate wide-ranging applications such as ultra-high sensitive sensing, molecular transportation, molecular separation, high-frequency signal processing, and biological imaging. This paper reviews recent studies on dynamic characteristics of nanoresonators. A variety of theoretical approaches, i.e., continuum modeling, molecular simulations, and multiscale methods, in modeling of nanoresonators are reviewed. The potential application of nanoresonators in design of sensor devices and molecular transportation systems is introduced. The essence of nanoresonator sensors for detection of atoms and molecules with vibration and wave propagation analyses is outlined. The sensitivity of the resonator sensors and their feasibility in detecting different atoms and molecules are particularly discussed. Furthermore, the applicability of molecular transportation using the propagation of mechanical waves in nanoresonators is presented. An extended application of the transportation methods for building nanofiltering systems with ultra-high selectivity is surveyed. The article aims to provide an up-to-date review on the mechanical properties and applications of nanoresonators, and inspire additional potential of the resonators

A review on nanomechanical resonators and their applications in sensors and molecular transportation

Energy Technology Data Exchange (ETDEWEB)

Arash, Behrouz; Rabczuk, Timon, E-mail: timon.rabczuk@uni-weimar.de [Institute of Structural Mechanics, Bauhaus Universität Weimar, Marienstr 15, D-99423 Weimar (Germany); Jiang, Jin-Wu [Shanghai Institute of Applied Mathematics and Mechanics, Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai University, Shanghai 200072 (China)

2015-06-15

Nanotechnology has opened a new area in science and engineering, leading to the development of novel nano-electromechanical systems such as nanoresonators with ultra-high resonant frequencies. The ultra-high-frequency resonators facilitate wide-ranging applications such as ultra-high sensitive sensing, molecular transportation, molecular separation, high-frequency signal processing, and biological imaging. This paper reviews recent studies on dynamic characteristics of nanoresonators. A variety of theoretical approaches, i.e., continuum modeling, molecular simulations, and multiscale methods, in modeling of nanoresonators are reviewed. The potential application of nanoresonators in design of sensor devices and molecular transportation systems is introduced. The essence of nanoresonator sensors for detection of atoms and molecules with vibration and wave propagation analyses is outlined. The sensitivity of the resonator sensors and their feasibility in detecting different atoms and molecules are particularly discussed. Furthermore, the applicability of molecular transportation using the propagation of mechanical waves in nanoresonators is presented. An extended application of the transportation methods for building nanofiltering systems with ultra-high selectivity is surveyed. The article aims to provide an up-to-date review on the mechanical properties and applications of nanoresonators, and inspire additional potential of the resonators.

76 FR 16420 - Ocean Transportation Intermediary License; Applicants

Science.gov (United States)

2011-03-23

...), Andrew P. Bottomley, Managing Partner, Application Type: QI Change and Add OFF Service. All Transport... Type: New NVO & OFF License. Andrea Bigi dba AB Global Logistics Consulting (OFF), 1010 19th Street, 10.... Officers: Joanne Kirkpatrick, International Logistics Officer (Qualifying Individual), Jack R. Lentz, CEO...

Spin transport in nanowires

OpenAIRE

Pramanik, S.; bandyopadhyay, S.; Cahay, M.

2003-01-01

We study high-field spin transport of electrons in a quasi one-dimensional channel of a $GaAs$ gate controlled spin interferometer (SPINFET) using a semiclassical formalism (spin density matrix evolution coupled with Boltzmann transport equation). Spin dephasing (or depolarization) is predominantly caused by D'yakonov-Perel' relaxation associated with momentum dependent spin orbit coupling effects that arise due to bulk inversion asymmetry (Dresselhaus spin orbit coupling) and structural inve...

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.

49 CFR 230.37 - Steam test following repairs or alterations.

Science.gov (United States)

2010-10-01

... 49 Transportation 4 2010-10-01 2010-10-01 false Steam test following repairs or alterations. 230... RAILROAD ADMINISTRATION, DEPARTMENT OF TRANSPORTATION STEAM LOCOMOTIVE INSPECTION AND MAINTENANCE STANDARDS Boilers and Appurtenances Pressure Testing of Boilers § 230.37 Steam test following repairs or alterations...

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

A coupled reaction and transport model for assessing the injection, migration and fate of waste fluids

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

Quantum dissipation theory and applications to quantum transport and quantum measurement in mesoscopic systems

Science.gov (United States)

Cui, Ping

celebrated Marcus' inversion and Kramers' turnover behaviors, the new theory also shows some distinct quantum solvation effects that can alter the ET mechanism. Moreover, the present theory predicts further for the ET reaction thermodynamics, such as equilibrium Gibbs free-energy and entropy, some interesting solvent-dependent features that are calling for experimental verification. In Chapter 6, we discuss the constructed QDTs, in terms of their unified mathematical structure that supports a linear dynamics space, and thus facilitates their applications to various physical problems. The involving details are exemplified with the CODDE form of QDT. As the linear space is concerned, we identify the Schrodinger versus Heisenberg picture and the forward versus backward propagation of the reduced, dissipative Liouville dynamics. For applications we discuss the reduced linear response theory and the optimal control problems, in which the correlated effects of non-Markovian dissipation and field driving are shown to be important. In Chapter 7, we turn to quantum transport, i.e., electric current through molecular or mesoscopic systems under finite applied voltage. By viewing the nonequilibrium transport setup as a quantum open system, we develop a reduced-density-matrix approach to quantum transport. The resulting current is explicitly expressed in terms of the molecular reduced density matrix by tracing out the degrees of freedom of the electrodes at finite bias and temperature. We propose a conditional quantum master equation theory, which is an extension of the conventional (or unconditional) QDT by tracing out the well-defined bath subsets individually, instead of the entire bath degrees of freedom. Both the current and the noise spectrum can be conveniently analyzed in terms of the conditional reduced density matrix dynamics. By far, the QDT (including the conditional one) has only been exploited in second-order form. A self-consistent Born approximation for the system

Copper and ectopic expression of the Arabidopsis transport protein COPT1 alter iron homeostasis in rice (Oryza sativa L.).

Science.gov (United States)

Andrés-Bordería, Amparo; Andrés, Fernando; Garcia-Molina, Antoni; Perea-García, Ana; Domingo, Concha; Puig, Sergi; Peñarrubia, Lola

2017-09-01

Copper deficiency and excess differentially affect iron homeostasis in rice and overexpression of the Arabidopsis high-affinity copper transporter COPT1 slightly increases endogenous iron concentration in rice grains. Higher plants have developed sophisticated mechanisms to efficiently acquire and use micronutrients such as copper and iron. However, the molecular mechanisms underlying the interaction between both metals remain poorly understood. In the present work, we study the effects produced on iron homeostasis by a wide range of copper concentrations in the growth media and by altered copper transport in Oryza sativa plants. Gene expression profiles in rice seedlings grown under copper excess show an altered expression of genes involved in iron homeostasis compared to standard control conditions. Thus, ferritin OsFER2 and ferredoxin OsFd1 mRNAs are down-regulated whereas the transcriptional iron regulator OsIRO2 and the nicotianamine synthase OsNAS2 mRNAs rise under copper excess. As expected, the expression of OsCOPT1, which encodes a high-affinity copper transport protein, as well as other copper-deficiency markers are down-regulated by copper. Furthermore, we show that Arabidopsis COPT1 overexpression (C1 OE ) in rice causes root shortening in high copper conditions and under iron deficiency. C1 OE rice plants modify the expression of the putative iron-sensing factors OsHRZ1 and OsHRZ2 and enhance the expression of OsIRO2 under copper excess, which suggests a role of copper transport in iron signaling. Importantly, the C1 OE rice plants grown on soil contain higher endogenous iron concentration than wild-type plants in both brown and white grains. Collectively, these results highlight the effects of rice copper status on iron homeostasis, which should be considered to obtain crops with optimized nutrient concentrations in edible parts.

Generalized two-temperature model for coupled phonon-magnon diffusion.

Science.gov (United States)

Liao, Bolin; Zhou, Jiawei; Chen, Gang

2014-07-11

We generalize the two-temperature model [Sanders and Walton, Phys. Rev. B 15, 1489 (1977)] for coupled phonon-magnon diffusion to include the effect of the concurrent magnetization flow, with a particular emphasis on the thermal consequence of the magnon flow driven by a nonuniform magnetic field. Working within the framework of the Boltzmann transport equation, we derive the constitutive equations for coupled phonon-magnon transport driven by gradients of both temperature and external magnetic fields, and the corresponding conservation laws. Our equations reduce to the original Sanders-Walton two-temperature model under a uniform external field, but predict a new magnon cooling effect driven by a nonuniform magnetic field in a homogeneous single-domain ferromagnet. We estimate the magnitude of the cooling effect in an yttrium iron garnet, and show it is within current experimental reach. With properly optimized materials, the predicted cooling effect can potentially supplement the conventional magnetocaloric effect in cryogenic applications in the future.

On-chip spin-controlled orbital angular momentum directional coupling

Science.gov (United States)

Xie, Zhenwei; Lei, Ting; Si, Guangyuan; Du, Luping; Lin, Jiao; Min, Changjun; Yuan, Xiaocong

2018-01-01

Optical vortex beams have many potential applications in the particle trapping, quantum encoding, optical orbital angular momentum (OAM) communications and interconnects. However, the on-chip compact OAM detection is still a big challenge. Based on a holographic configuration and a spin-dependent structure design, we propose and demonstrate an on-chip spin-controlled OAM-mode directional coupler, which can couple the OAM signal to different directions due to its topological charge. While the directional coupling function can be switched on/off by altering the spin of incident beam. Both simulation and experimental measurements verify the validity of the proposed approach. This work would benefit the on-chip OAM devices for optical communications and high dimensional quantum coding/decoding in the future.

Status of the TOUGH-FLAC simulator and recent applications related to coupled fluid flow and crustal deformations

Energy Technology Data Exchange (ETDEWEB)

Rutqvist, J.

2010-06-01

This paper presents recent advancement in and applications of TOUGH-FLAC, a simulator for multiphase fluid flow and geomechanics. The TOUGH-FLAC simulator links the TOUGH family multiphase fluid and heat transport codes with the commercial FLAC{sup 3D} geomechanical simulator. The most significant new TOUGH-FLAC development in the past few years is a revised architecture, enabling a more rigorous and tight coupling procedure with improved computational efficiency. The applications presented in this paper are related to modeling of crustal deformations caused by deep underground fluid movements and pressure changes as a result of both industrial activities (the In Salah CO{sub 2} Storage Project and the Geysers Geothermal Field) and natural events (the 1960s Matsushiro Earthquake Swarm). Finally, the paper provides some perspectives on the future of TOUGH-FLAC in light of its applicability to practical problems and the need for high-performance computing capabilities for field-scale problems, such as industrial-scale CO{sub 2} storage and enhanced geothermal systems. It is concluded that despite some limitations to fully adapting a commercial code such as FLAC{sup 3D} for some specialized research and computational needs, TOUGH-FLAC is likely to remain a pragmatic simulation approach, with an increasing number of users in both academia and industry.

Direct coupling of a genome-scale microbial in silico model and a groundwater reactive transport model

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

75 FR 63476 - Ocean Transportation Intermediary License; Applicants

Science.gov (United States)

2010-10-15

.... David A. Knott dba DAK Logistics Services (NVO), 1010 Bluejay Drive, Suisun City, CA 94585. Officer... Office of Transportation Intermediaries, Federal Maritime Commission, Washington, DC 20573. ACS Logistics.... Application Type: QI Change. Archer Logistics USA LLC (NVO), 6051 Kennedy Boulevard East, PhB, West New York...

Dynamic combinatorial chemistry to identify binders of ThiT, an S-component of the energy-coupling factor transporter for thiamine

NARCIS (Netherlands)

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

Flow, transport and diffusion in random geometries II: applications

KAUST Repository

Asinari, Pietro

2015-01-07

Multilevel Monte Carlo (MLMC) is an efficient and flexible solution for the propagation of uncertainties in complex models, where an explicit parametrization of the input randomness is not available or too expensive. We present several applications of our MLMC algorithm for flow, transport and diffusion in random heterogeneous materials. The absolute permeability and effective diffusivity (or formation factor) of micro-scale porous media samples are computed and the uncertainty related to the sampling procedures is studied. The algorithm is then extended to the transport problems and multiphase flows for the estimation of dispersion and relative permeability curves. The impact of water drops on random stuctured surfaces, with microfluidics applications to self-cleaning materials, is also studied and simulated. Finally the estimation of new drag correlation laws for poly-dispersed dilute and dense suspensions is presented.

Flow, transport and diffusion in random geometries II: applications

KAUST Repository

Asinari, Pietro; Ceglia, Diego; Icardi, Matteo; Prudhomme, Serge; Tempone, Raul

2015-01-01

Multilevel Monte Carlo (MLMC) is an efficient and flexible solution for the propagation of uncertainties in complex models, where an explicit parametrization of the input randomness is not available or too expensive. We present several applications of our MLMC algorithm for flow, transport and diffusion in random heterogeneous materials. The absolute permeability and effective diffusivity (or formation factor) of micro-scale porous media samples are computed and the uncertainty related to the sampling procedures is studied. The algorithm is then extended to the transport problems and multiphase flows for the estimation of dispersion and relative permeability curves. The impact of water drops on random stuctured surfaces, with microfluidics applications to self-cleaning materials, is also studied and simulated. Finally the estimation of new drag correlation laws for poly-dispersed dilute and dense suspensions is presented.

Fast Flows in the Magnetotail and Energetic Particle Transport: Multiscale Coupling in the Magnetosphere

Science.gov (United States)

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.